Version2.1 2021-01-08T15:25:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(=O)c1cccc(c1)OC[C@H](C[NH+](Cc2ccc(cc2)N(C)C)[C@@H]3CCS(=O)(=O)C3)O C40319330 RHF 6-31G(d) (6D,7F) CC(=O)c1cccc(c1)OC[C@H](C[NH+](Cc2ccc(cc2)N(C)C)[C@@H]3CCS(=O)(=O)C3)O C01[X(C24H33N2O5S1)] 189 C1 550 O[C@@H](C[NH+]([C@@H]1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C)COc1cccc(c1)C(=O)C O[C@@H](C[NH+]([C@@H]1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C)COc1cccc(c1)C(=O)C CN(C)c1ccc(C[NH+](C[C@H](O)COc2cccc(c2)C(C)=O)[C@@H]3CC[S](=O)(=O)C3)cc1 InChIKey=NTZCCUAJRMOPPM-PKTZIBPZSA-O InChI=1S/C24H32N2O5S/c1-18(27)20-5-4-6-24(13-20)31-16-23(28)15-26(22-11-12-32(29,30)17-22)14-19-7-9-21(10-8-19)25(2)3/h4-10,13,22-23,28H,11-12,14-17H2,1-3H3/p+1/t22-,23+/m1/s1 InChI=1/C24H32N2O5S/c1-18(27)20-5-4-6-24(13-20)31-16-23(28)15-26(22-11-12-32(29,30)17-22)14-19-7-9-21(10-8-19)25(2)3/h4-10,13,22-23,28H,11-12,14-17H2,1-3H3/p+1/t22-,23+/m1/s1/fC24H33N2O5S/h26H/q+1 CC(=O)c1cccc(c1)OC[C@H](C[NH+](Cc2ccc(cc2)N(C)C)[C@@H]3CCS(=O)(=O)C3)O C01[X(C24H33N2O5S1)] 189 C01 550 O[C@@H](C[NH+]([C@@H]1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C)COc1cccc(c1)C(=O)C O[C@@H](C[NH]([C@@H]1CCS(=O)(=O)C1)C[C]1[CH][CH][C]([CH][CH]1)N(C)C)CO[C]1[CH][CH][CH][C]([CH]1)C(=O)C CN(C)[C]1[CH][CH][C]([CH][CH]1)C[NH](C[C@H](O)CO[C]2[CH][CH][CH][C]([CH]2)C(C)=O)[C@@H]3CC[S](=O)(=O)C3 InChIKey=QNKAUFHIVGQTIO-PKTZIBPZSA-N InChI=1S/C24H33N2O5S/c1-18(27)20-5-4-6-24(13-20)31-16-23(28)15-26(22-11-12-32(29,30)17-22)14-19-7-9-21(10-8-19)25(2)3/h4-10,13,22-23,26,28H,11-12,14-17H2,1-3H3/t22-,23+/m1/s1 InChI=1/C24H33N2O5S/c1-18(27)20-5-4-6-24(13-20)31-16-23(28)15-26(22-11-12-32(29,30)17-22)14-19-7-9-21(10-8-19)25(2)3/h4-10,13,22-23,26,28H,11-12,14-17H2,1-3H3/t22-,23+/m1/s1 3374.7494281105 -1808.4656161 1-A 26931.7160 123 427 550 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.1737 12.1506 18.0286 20.4381 25.8969 32.0960 45.7412 48.3504 52.3742 69.6806 73.8270 76.7995 91.8791 123.8356 132.2854 137.9535 155.9021 173.5270 185.9199 191.0893 195.0700 225.8459 226.6376 239.6250 258.2948 271.2476 271.6952 292.6928 324.6969 343.9792 351.5103 372.8238 383.4229 404.4187 420.6647 451.8891 459.9957 469.6358 470.9592 478.1843 484.9858 509.7256 521.5427 531.0460 539.9114 562.1684 568.7988 581.2999 588.8876 602.7013 623.4329 639.3114 647.0120 691.2907 700.1826 702.2144 764.5678 771.1513 775.3705 784.7994 799.4869 833.0803 853.7459 886.8904 894.0098 918.2218 929.4099 937.9775 960.5483 965.0980 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0.6888 0.8463 0.8363 0.8512 0.8461 0.8226 0.8307 0.8411 0.7360 0.6917 0.5701 0.7281 0.6815 0.6233 0.7829 0.4542 0.5454 0.1082 0.0761 0.0203 0.5095 0.8533 0.7470 0.8545 0.5987 0.1717 0.8568 0.3355 0.1739 0.1573 0.3099 0.5350 0.3222 0.4998 0.7133 0.7986 0.1769 0.6808 0.8208 0.5597 0.7660 0.8234 0.5278 0.2439 0.3983 0.3873 0.3755 0.2565 0.4393 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 62 63 64 65 6 6 8 6 6 6 6 6 6 8 6 6 1 6 7 1 6 6 6 6 6 6 6 7 6 6 6 1 6 6 16 8 8 6 8 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 1 1 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 15.99491 1.00783 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1593.90 1600.80 1640.45 1654.45 1666.68 1692.47 1703.07 1706.96 1748.90 1753.38 1760.93 1779.48 1785.45 1796.50 1800.61 1800.95 1811.43 1828.65 1849.98 1869.05 1890.74 1897.48 1912.99 1919.83 1948.49 1965.15 1967.28 1995.11 2006.20 2025.89 2047.89 2054.97 2071.57 2083.81 2095.99 2102.01 2113.79 2136.56 2150.50 2165.83 2179.99 2185.48 2216.51 2229.17 2246.42 2277.57 2291.32 2293.12 2313.32 2319.89 2320.59 2324.06 2327.64 2334.68 2335.23 2344.12 2355.89 2357.54 2361.40 2369.98 2374.84 2382.40 2387.46 2395.00 2403.17 2418.61 2456.18 2512.06 2572.59 2591.41 2614.18 2876.11 4604.21 4614.68 4615.25 4628.01 4647.87 4682.20 4690.15 4692.12 4695.76 4708.40 4715.33 4717.96 4738.05 4740.70 4757.66 4785.08 4788.20 4790.04 4797.39 4811.05 4816.00 4816.32 4825.50 4841.47 4858.48 4860.82 4889.43 4904.63 4923.36 4930.52 4941.63 5256.19 5844.38 0.593590 0.624000 0.624945 0.524978 -1807.872026 -1807.841616 -1807.840672 -1807.940638 3.352876D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE CC(=O)c1cccc(c1)OC[C@H](C[NH+](Cc2ccc(cc2)N(C)C)[C@@H]3CCS(=O)(=O)C3)O C40319330 RHF 6-31G(d) (6D,10F) C1 461.211019 |X|Y|Z| 148.195069 57.253335 41.133116 70.405846 23 6 7 8 16 20 1 1 1 |36.858105| |12.606380|36.858105| |8.067116|15.961650|73.516695| |7.317165|12.627326|14.462080|36.858105| |6.340468|7.473260|9.384438|13.681470|36.858105| |4.343656|5.007488|7.144795|7.942580|13.792014|36.858105| |3.641619|4.439819|6.825744|6.844415|7.908979|13.723534|36.858105| |3.808637|5.068426|8.204863|7.939872|6.880415|7.973318|13.763272|36.858105| |4.950926|7.700601|12.338514|13.755029|7.934618|6.897755|7.926158|13.773289|36.858105| |3.090341|3.972217|6.924517|5.276815|4.608013|5.188865|7.841572|13.924804|8.188124|73.516695| |2.576963|3.127199|5.405341|3.973513|3.779193|4.494311|6.677436|7.940221|5.257258|24.324070|36.858105| |2.255302|2.705768|4.849109|3.222892|2.988161|3.341462|4.400540|5.260322|4.142048|14.703906|12.519548|36.858105| |2.256004|2.717215|4.936682|3.182923|2.901363|3.170523|4.069141|4.966374|4.098173|13.437586|8.992024|17.554752|0.500000| |1.936026|2.248018|3.993715|2.622804|2.519184|2.841878|3.581695|3.891935|3.170474|9.191128|7.545121|12.466913|0.243730|36.858105| |1.751737|2.016214|3.641235|2.278909|2.163981|2.368087|2.859371|3.135990|2.706352|7.096569|4.974816|7.645524|0.183494|12.668054|53.358707| |1.817872|2.108968|3.843908|2.371490|2.220356|2.401305|2.895368|3.250925|2.843894|7.441882|4.983388|7.784785|0.181507|9.498553|25.634198|0.500000| |1.580385|1.785850|3.199928|2.001807|1.936259|2.123611|2.502730|2.645559|2.309447|5.660247|3.887409|5.024412|0.121676|7.602139|16.880620|0.257627|36.858105| |1.466006|1.645587|2.975283|1.809327|1.738526|1.871559|2.156968|2.293898|2.063042|4.800857|3.112040|3.890698|0.098324|4.969169|10.193480|0.200882|12.725475|36.858105| |1.492352|1.677353|3.049417|1.830859|1.746930|1.862114|2.131716|2.287009|2.085113|4.751686|2.990485|3.667011|0.091733|4.294108|8.040691|0.185414|7.595418|13.663981|36.858105| |1.382662|1.540681|2.814627|1.656085|1.578088|1.661686|1.869054|2.000471|1.861033|4.069123|2.486960|2.953972|0.076133|3.301469|5.785257|0.130318|5.034674|7.871878|13.859606|36.858105| |1.270122|1.404754|2.564471|1.501485|1.436676|1.509854|1.684686|1.790096|1.672974|3.606865|2.199648|2.585904|0.068218|2.909902|5.035470|0.107430|4.396092|6.715889|7.857979|13.494927|36.858105| |1.253773|1.385935|2.519379|1.489960|1.432731|1.516143|1.698801|1.794719|1.662044|3.631383|2.250278|2.665594|0.070884|3.106086|5.482239|0.110621|5.014642|7.880802|6.910430|7.927420|13.528918|36.858105| |1.335546|1.485007|2.687593|1.615729|1.557540|1.665838|1.891348|1.996123|1.818737|4.099014|2.607072|3.160552|0.083090|3.894436|7.295660|0.139224|7.530189|13.702872|8.009370|6.903060|7.855442|13.839547|36.858105| 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|17.553523|8.854981|11.034732|6.584409|6.405795|4.434824|3.617690|3.656433|4.547771|5.265296|2.512781|2.187542|0.059888|1.897303|2.336285|0.049529|1.563767|1.452256|1.484382|1.376076|1.260773|1.241051|1.320467|1.605491|1.183964|1.091985|1.628291|0.048399|1.484616|1.412947|9.852319|2.266853|2.466133|1.540728|3.909116|0.301669|0.500000| |17.636729|8.989091|13.690131|5.456279|4.688750|3.500688|3.065147|3.257082|4.148414|4.897641|2.321878|2.081314|0.058207|1.798409|2.245611|0.047676|1.492226|1.396832|1.426471|1.331576|1.227069|1.207883|1.279006|1.569572|1.157843|1.071468|1.594085|0.047650|1.453691|1.403992|9.852675|2.256137|2.499602|1.526378|3.731199|0.299522|0.299625|0.500000| 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|3.035432|3.551431|5.630001|4.939786|5.648309|8.944134|17.748581|8.855391|5.628065|12.448726|7.376297|4.645213|0.115764|3.955526|4.153959|0.084180|2.700158|2.280002|2.223617|1.929661|1.741272|1.770406|1.991642|2.122278|1.511448|1.428541|2.697246|0.081400|2.442998|2.157626|14.127847|3.202659|3.354609|2.304664|7.038502|0.084618|0.084463|0.072745|0.124624|0.217118|0.500000| |4.592400|7.202892|13.997708|8.937048|5.648172|4.968726|5.647455|8.933738|17.766937|13.402013|4.861722|4.172538|0.118106|3.141608|3.752154|0.081693|2.321920|2.100590|2.138544|1.919011|1.722576|1.702655|1.853562|2.138174|1.555538|1.430520|2.616935|0.081812|2.245357|2.114989|14.782940|3.260991|3.714418|2.431039|7.544593|0.115022|0.114599|0.113073|0.123959|0.107808|0.123873|0.500000| |2.511330|2.992874|5.102833|3.800989|3.746027|4.577398|6.716899|7.034028|4.789506|16.529182|17.544206|8.846304|0.174801|6.925838|6.426699|0.132942|3.948889|3.156499|3.079544|2.544255|2.224723|2.257709|2.611432|2.636969|1.862926|1.737266|3.760878|0.112548|3.180102|2.667500|17.666576|3.966943|4.075985|3.082315|12.658908|0.067688|0.069444|0.062673|0.086878|0.112866|0.221698|0.120317|0.500000| |2.493859|2.966389|5.055376|3.762931|3.712847|4.541870|6.666073|6.953594|4.735707|16.474550|17.537826|8.820950|0.215925|6.792962|6.112274|0.118531|3.616976|2.882111|2.703644|2.275573|2.054053|2.132628|2.475730|2.450683|1.710002|1.645413|3.949717|0.125704|3.471788|2.949535|18.573889|4.075823|4.327147|3.119097|10.125476|0.069011|0.067233|0.062267|0.086211|0.112268|0.222321|0.119134|0.299128|0.500000| |1.920131|2.210430|3.881884|2.596328|2.541501|2.913260|3.667500|3.831500|3.088032|8.643297|7.180372|8.897773|0.174016|17.655485|12.408354|0.216200|7.648876|4.938431|4.375354|3.326598|2.888846|3.046974|3.796918|3.269513|2.226667|2.133645|5.629473|0.151204|4.655871|3.476429|22.475173|5.109319|4.849330|4.128493|12.636114|0.052076|0.052881|0.049339|0.062187|0.075876|0.115639|0.083326|0.217416|0.177070|0.500000| |1.863001|2.141376|3.781149|2.492716|2.425834|2.752216|3.427634|3.618042|2.961305|8.190087|6.531031|8.728002|0.214920|17.637483|12.249912|0.183573|6.469442|4.377157|3.671377|2.928902|2.675317|2.924358|3.664763|3.064523|2.054508|2.054444|7.284357|0.212133|6.505049|4.535712|26.321167|5.727940|5.606527|4.621031|10.324753|0.051189|0.050522|0.048072|0.059588|0.071684|0.106674|0.080755|0.161428|0.190239|0.301651|0.500000| |1.633525|1.844452|3.278424|2.087053|2.036950|2.258460|2.675897|2.788821|2.402722|5.918438|4.146459|5.087689|0.116975|7.583213|12.484462|0.223000|17.641032|8.940818|7.023197|4.706976|3.959805|4.261289|5.761897|4.217984|2.783042|2.676654|5.519181|0.128608|4.745700|3.492381|23.927567|5.804797|4.948525|4.456680|9.112141|0.044111|0.045222|0.042626|0.051085|0.059762|0.081191|0.066278|0.123362|0.105434|0.259265|0.170803|0.500000| |1.510828|1.694335|3.020036|1.898688|1.854479|2.043499|2.392132|2.486109|2.168093|5.231751|3.606200|4.467279|0.112210|6.789648|12.239694|0.181266|17.663327|8.817332|5.589170|4.169006|3.913450|4.703287|7.106261|4.177404|2.643442|2.770763|6.777760|0.144960|7.038377|4.561562|28.971726|7.169521|5.649291|5.060031|7.379714|0.041187|0.041473|0.039613|0.046832|0.054379|0.072368|0.060099|0.100662|0.097297|0.186755|0.186231|0.302947|0.500000| |1.604199|1.815148|3.296906|1.994341|1.897043|2.026422|2.337491|2.523894|2.288663|5.279799|3.322216|4.060530|0.098248|4.611723|8.170362|0.204334|7.016702|8.865111|17.658929|9.035633|5.623912|4.967399|5.660851|5.731364|3.966354|3.278505|4.485433|0.107478|3.604621|2.997442|23.369873|5.783479|5.011495|4.553185|8.797555|0.042626|0.044480|0.042439|0.047921|0.052959|0.067588|0.065145|0.096975|0.081295|0.134767|0.105190|0.205336|0.141231|0.500000| |1.389735|1.546095|2.833163|1.650740|1.568131|1.639314|1.830711|1.964044|1.846664|3.955495|2.374229|2.766876|0.071267|2.985049|5.000235|0.114929|4.127214|5.644591|9.038345|17.791995|8.811946|5.626356|4.974134|9.689269|7.635327|4.621810|3.261231|0.079920|2.824952|2.538347|20.923283|5.508440|4.629940|3.665185|5.726453|0.036900|0.038536|0.037288|0.040297|0.043177|0.052083|0.053070|0.067876|0.059945|0.084203|0.073365|0.111965|0.096443|0.221166|0.500000| |1.179065|1.296024|2.354526|1.386792|1.337141|1.411319|1.569830|1.650305|1.536111|3.307622|2.036411|2.376340|0.064041|2.738593|4.663749|0.092729|4.109325|5.653134|4.978644|5.625477|8.824146|17.801128|9.043582|9.693143|4.624619|7.641303|3.465800|0.080782|3.547690|3.282267|26.975876|8.721175|5.471890|3.885227|4.394996|0.031925|0.032386|0.031628|0.034588|0.037680|0.045393|0.043665|0.056485|0.054238|0.074310|0.073246|0.098642|0.112577|0.107889|0.123218|0.500000| |1.302820|1.443924|2.603842|1.573849|1.525138|1.637269|1.856658|1.944470|1.765421|3.976362|2.547040|3.058067|0.081570|3.831261|6.908332|0.124658|6.912268|8.878224|5.661247|4.967130|5.630758|9.046001|17.705497|5.736720|3.280768|3.972099|5.067122|0.109640|5.649888|4.511746|32.938466|9.935739|6.138232|5.002998|5.415853|0.035445|0.035710|0.034622|0.039084|0.043683|0.054610|0.049742|0.070280|0.068544|0.102525|0.104750|0.146141|0.213930|0.123839|0.107873|0.221758|0.500000| |1.197953|1.310397|2.394536|1.381129|1.323686|1.374516|1.504271|1.588895|1.512894|3.116079|1.848652|2.077962|0.054608|2.225309|3.546502|0.077409|2.918097|3.709878|4.606975|6.725404|6.877889|4.651379|3.750894|12.295287|17.546099|5.909003|2.427815|0.060745|2.233907|2.077716|16.900871|4.604327|3.832712|2.694117|4.117747|0.031932|0.033304|0.032355|0.034460|0.036591|0.042714|0.043256|0.052739|0.047746|0.062845|0.056796|0.079405|0.073226|0.115145|0.228984|0.115425|0.087348|0.500000| |1.119705|1.220394|2.239914|1.275400|1.218940|1.257683|1.368672|1.448915|1.391551|2.831144|1.664340|1.870175|0.050099|1.983861|3.150569|0.067932|2.522440|3.134846|3.618572|4.895443|5.741719|4.245536|3.332299|12.517681|17.666036|7.535663|2.247116|0.056617|2.104360|2.019634|16.757265|4.659008|3.867574|2.552158|3.654138|0.029923|0.030984|0.030399|0.031848|0.033483|0.038686|0.039977|0.046827|0.043386|0.055029|0.051430|0.067104|0.064791|0.089976|0.148550|0.113776|0.080296|0.302553|0.500000| |1.243616|1.369391|2.528244|1.434151|1.358173|1.399540|1.536093|1.647180|1.582228|3.258657|1.908740|2.182914|0.058231|2.291866|3.716798|0.082635|2.919475|3.711194|4.611629|6.744422|6.864214|4.628800|3.740296|12.301964|17.547606|5.888598|2.625232|0.065907|2.364736|2.250695|19.130642|5.186557|4.410055|3.065180|4.387269|0.033071|0.034349|0.033726|0.035252|0.036961|0.043247|0.045811|0.053583|0.049059|0.063169|0.058278|0.077344|0.072609|0.115186|0.230247|0.114695|0.087029|0.300057|0.302682|0.500000| |1.105606|1.209377|2.214716|1.274103|1.220222|1.269432|1.394156|1.474868|1.400252|2.919808|1.746842|2.006885|0.054803|2.197474|3.607599|0.074555|2.926645|3.732684|3.759665|4.650152|6.909455|6.793699|4.640352|12.312293|5.870124|17.559771|2.729389|0.066662|2.696132|2.656837|22.855409|7.136345|5.038444|3.195515|3.783235|0.029830|0.030340|0.029908|0.031757|0.033822|0.039751|0.040161|0.048255|0.046317|0.059396|0.058445|0.073354|0.078199|0.087315|0.115049|0.231917|0.116026|0.129185|0.160158|0.142230|0.500000| |1.057852|1.150453|2.104736|1.205939|1.157736|1.199879|1.307121|1.376596|1.314879|2.694142|1.598725|1.802965|0.048816|1.946760|3.110423|0.065148|2.520712|3.135853|3.332970|4.242847|5.742546|4.898715|3.618988|12.513432|7.533399|17.664920|2.283183|0.056911|2.221318|2.164253|17.992535|5.266607|4.090378|2.596520|3.430875|0.028465|0.029165|0.028683|0.030270|0.032059|0.037157|0.037641|0.044615|0.042248|0.053487|0.051455|0.065435|0.066758|0.080236|0.113711|0.148633|0.090087|0.160962|0.253462|0.161569|0.302661|0.500000| |1.072317|1.167102|2.121589|1.234904|1.193315|1.248406|1.367282|1.429697|1.349462|2.809145|1.695055|1.917271|0.051554|2.127684|3.430132|0.070312|2.902087|3.695599|3.736785|4.627795|6.845873|6.693653|4.584216|12.288601|5.932825|17.544933|2.492519|0.060995|2.485474|2.365127|19.157054|5.747495|4.199915|2.763364|3.596115|0.028958|0.029593|0.028922|0.031134|0.033475|0.039236|0.038355|0.047495|0.045047|0.058841|0.056625|0.074627|0.078240|0.087025|0.115035|0.227898|0.114751|0.144524|0.162549|0.129554|0.300041|0.302364|0.500000| |1.432989|1.605032|2.895011|1.767695|1.704392|1.841496|2.124924|2.248651|2.013503|4.713671|3.084138|3.869247|0.108446|5.054681|9.107856|0.144687|6.855393|5.961626|4.248878|3.567698|3.634752|4.575454|6.345116|4.030174|2.502916|2.804533|8.739434|0.174385|17.634479|8.898183|46.910612|11.487183|7.984673|6.709121|6.313556|0.039253|0.038869|0.037906|0.043268|0.048748|0.062778|0.056799|0.081225|0.085288|0.121464|0.151832|0.139877|0.236507|0.104595|0.083546|0.118072|0.222229|0.066650|0.062618|0.069493|0.083499|0.067493|0.077866|0.500000| |1.562511|1.761166|3.155397|1.968202|1.904009|2.082305|2.441267|2.577630|2.262595|5.473625|3.685263|4.617751|0.135330|6.109816|8.937183|0.138191|5.592336|4.358162|3.426930|2.875500|2.813457|3.276576|4.169277|3.233590|2.094187|2.244382|8.689502|0.217165|17.592854|8.780355|37.589257|8.035879|7.309897|5.510580|6.805110|0.043134|0.042128|0.041033|0.047954|0.054961|0.072923|0.063250|0.093339|0.106771|0.136545|0.218327|0.127082|0.186039|0.090389|0.070235|0.085110|0.131183|0.056490|0.052955|0.058822|0.065820|0.055541|0.062107|0.301392|0.500000| |1.361483|1.516116|2.756311|1.640742|1.570955|1.667629|1.887999|2.010555|1.849138|4.125888|2.563950|3.080707|0.092652|3.507121|5.516574|0.098414|3.730679|3.531393|2.917527|2.651744|2.763174|3.273873|3.809372|3.294369|2.099571|2.390348|5.618959|0.142479|8.670559|17.630218|57.263389|12.487042|10.658013|5.313471|5.021021|0.037544|0.036546|0.036318|0.040194|0.044101|0.054696|0.052721|0.065783|0.072425|0.084343|0.106822|0.086581|0.114018|0.074366|0.065097|0.090431|0.121663|0.055018|0.054113|0.058980|0.073163|0.059283|0.065396|0.217137|0.200052|0.500000| |1.536838|1.736093|3.176775|1.887623|1.782672|1.887025|2.164842|2.358030|2.165835|4.951154|3.045904|3.775165|0.121431|4.069035|6.172720|0.111314|3.726400|3.383902|2.893047|2.579347|2.573508|2.903450|3.372597|3.068086|2.010251|2.164862|6.907285|0.206670|8.707549|17.600046|57.253671|9.726497|12.521738|6.113295|5.970186|0.042372|0.040892|0.040905|0.045164|0.049240|0.062149|0.062404|0.075324|0.086178|0.093098|0.124511|0.088000|0.108508|0.076301|0.064449|0.077414|0.100975|0.052996|0.051549|0.057566|0.065204|0.054371|0.058380|0.173213|0.212515|0.299270|0.500000| |1.680408|1.938463|3.633096|2.089448|1.915264|1.994375|2.310614|2.633150|2.462734|5.751109|3.410350|4.658209|0.141000|4.626617|8.490361|0.191459|4.644398|4.709017|4.455684|3.910308|3.614779|3.746343|4.225908|4.162043|2.777076|2.723414|8.701103|0.228765|5.644159|5.652701|56.802313|9.998737|12.711697|17.628851|9.051607|0.045113|0.044998|0.044963|0.048073|0.051038|0.064823|0.073569|0.086165|0.086839|0.106711|0.116301|0.108695|0.114094|0.119070|0.097996|0.092350|0.109531|0.072057|0.068619|0.083837|0.081204|0.067914|0.070044|0.136768|0.125399|0.121807|0.150154|0.500000| 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