Version2.4 2021-06-07T06:50:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)OC(=O)c1c(csc1NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])O3)c4ccc(cc4)C5CCCCC5 C17136303 RHF 6-31G(d) (6D,7F) CC(C)OC(=O)c1c(csc1NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])O3)c4ccc(cc4)C5CCCCC5 C01[X(C28H32N1O6S1)] 198 C1 608 CC(OC(=O)c1c(scc1c1ccc(cc1)C1CCCCC1)NC(=O)[C@@H]1[C@@H]2CC[C@H]([C@@H]1C(=O)[O-])O2)C CC(OC(=O)c1c(scc1c1ccc(cc1)C1CCCCC1)NC(=O)[C@@H]1[C@@H]2CC[C@H]([C@@H]1C(=O)[O-])O2)C CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C([O-])=O)scc1c4ccc(cc4)C5CCCCC5 InChIKey=FHAUWIJVDDKEAI-SCDRESIJSA-M InChI=1S/C28H33NO6S/c1-15(2)34-28(33)22-19(18-10-8-17(9-11-18)16-6-4-3-5-7-16)14-36-26(22)29-25(30)23-20-12-13-21(35-20)24(23)27(31)32/h8-11,14-16,20-21,23-24H,3-7,12-13H2,1-2H3,(H,29,30)(H,31,32)/p-1/t20-,21+,23+,24-/m0/s1 InChI=1/C28H33NO6S/c1-15(2)34-28(33)22-19(18-10-8-17(9-11-18)16-6-4-3-5-7-16)14-36-26(22)29-25(30)23-20-12-13-21(35-20)24(23)27(31)32/h8-11,14-16,20-21,23-24H,3-7,12-13H2,1-2H3,(H,29,30)(H,31,32)/p-1/t20-,21+,23+,24-/m0/s1/fC28H32NO6S/h29H/q-1 CC(C)OC(=O)c1c(csc1NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])O3)c4ccc(cc4)C5CCCCC5 C01[X(C28H32N1O6S1)] 198 C01 608 CC(OC(=O)c1c(scc1c1ccc(cc1)C1CCCCC1)NC(=O)[C@@H]1[C@@H]2CC[C@H]([C@@H]1C(=O)[O-])O2)C CC(OC(=O)[C]1=[C](SC=[C]1[C]1[CH][CH][C]([CH][CH]1)C1CCCCC1)NC(=O)[C@@H]1[C@@H]2CC[C@H]([C@@H]1[C]([O])[O])O2)C CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2[C]([O])[O])scc1[C]4[CH][CH][C]([CH][CH]4)C5CCCCC5 InChIKey=VBJWWNWNLGJLQU-SCDRESIJSA-N InChI=1S/C28H32NO6S/c1-15(2)34-28(33)22-19(18-10-8-17(9-11-18)16-6-4-3-5-7-16)14-36-26(22)29-25(30)23-20-12-13-21(35-20)24(23)27(31)32/h8-11,14-16,20-21,23-24H,3-7,12-13H2,1-2H3,(H,29,30)/t20-,21+,23+,24-/m0/s1 InChI=1/C28H32NO6S/c1-15(2)34-28(33)22-19(18-10-8-17(9-11-18)16-6-4-3-5-7-16)14-36-26(22)29-25(30)23-20-12-13-21(35-20)24(23)27(31)32/h8-11,14-16,20-21,23-24H,3-7,12-13H2,1-2H3,(H,29,30)/t20-,21+,23+,24-/m0/s1/f/h29H 4099.5741832795 -1980.1808711 1-A 27274.1744 136 472 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.87421 -20.49179 -20.44570 -20.44090 -20.42567 -20.35019 -20.34976 -15.48422 -11.27623 -11.24884 -11.21588 -11.19036 -11.17453 -11.16978 -11.16951 -11.16712 -11.16604 -11.16477 -11.16363 -11.16206 -11.16156 -11.15975 -11.15785 -11.15715 -11.15579 -11.15455 -11.15412 -11.15261 -11.14881 -11.13844 -11.13370 -11.11519 -11.11121 -11.10783 -11.10267 -11.09378 -8.88326 -6.56563 -6.56465 -6.56293 -1.36117 -1.29688 -1.28856 -1.25674 -1.23998 -1.15570 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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|A|A|A|A|A|A|A|A|A| 12.7069 18.1764 19.9762 28.0204 39.8959 54.4743 54.7131 67.5412 70.4223 76.4779 89.4429 101.4893 103.3418 119.0392 125.8311 141.1056 147.7727 159.3940 192.4870 208.0376 217.8817 230.3709 237.4901 245.9341 250.9582 258.4405 273.8543 290.7524 302.2030 319.5359 330.3039 354.0863 368.6505 388.1462 394.4237 411.6635 421.1588 435.3329 456.4563 463.4856 471.6307 490.7878 514.8097 515.3896 534.9930 541.2736 544.8327 566.5323 592.6015 612.0587 631.6817 645.4776 683.5756 703.7606 716.5083 742.0450 767.7243 809.8634 823.7777 837.9984 850.7332 857.9153 861.5189 864.6559 869.5039 877.9760 885.2046 901.3706 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229.33 276.95 299.32 313.48 331.45 341.70 353.84 361.07 371.84 394.02 418.33 434.80 459.74 475.23 509.45 530.41 558.46 567.49 592.29 605.95 626.35 656.74 666.85 678.57 706.13 740.70 741.53 769.74 778.77 783.89 815.11 852.62 880.62 908.85 928.70 983.51 1012.55 1030.90 1067.64 1104.58 1165.21 1185.23 1205.69 1224.02 1234.35 1239.53 1244.05 1251.02 1263.21 1273.61 1296.87 1299.70 1320.56 1325.97 1342.58 1352.43 1359.44 1366.86 1376.51 1381.49 1397.15 1400.39 1408.07 1429.78 1449.58 1459.92 1476.92 1493.09 1515.62 1536.79 1549.62 1570.37 1579.53 1583.35 1594.52 1604.74 1614.95 1641.25 1642.12 1663.60 1673.83 1684.78 1699.12 1715.63 1728.19 1745.47 1771.56 1778.87 1798.79 1806.98 1823.98 1858.61 1889.08 1893.81 1894.52 1902.53 1913.60 1937.15 1944.27 1951.35 1963.31 1985.52 2019.04 2028.83 2033.85 2044.40 2058.62 2071.83 2077.84 2089.04 2099.03 2101.38 2125.21 2132.62 2149.86 2150.90 2158.64 2159.51 2170.78 2179.81 2186.81 2195.21 2197.16 2217.02 2232.39 2241.01 2247.55 2272.28 2275.69 2343.64 2344.57 2351.85 2359.25 2360.27 2360.53 2364.53 2364.77 2371.79 2386.16 2394.81 2403.94 2438.81 2508.21 2539.97 2599.24 2623.37 2685.77 2762.78 2837.87 4568.84 4573.61 4574.26 4579.51 4593.12 4593.70 4601.69 4604.39 4609.36 4629.11 4633.78 4634.91 4638.66 4645.90 4656.94 4659.41 4666.40 4670.41 4683.73 4740.73 4750.18 4772.04 4793.24 4796.00 4799.15 4801.22 4804.81 4818.96 4820.00 4860.28 4912.85 4928.23 0.603914 0.634643 0.635588 0.538207 -1979.576957 -1979.546228 -1979.545283 -1979.642664 3.266175D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CC(C)OC(=O)c1c(csc1NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])O3)c4ccc(cc4)C5CCCCC5 C17136303 RHF 6-31G(d) (6D,10F) C1 510.195035 |X|Y|Z| 151.955702 57.543089 29.534464 63.681472 26 6 7 8 16 23 1 1 1 |36.858105| |12.507093|36.858105| |7.522426|12.555997|36.858105| |7.880331|13.237865|8.056155|73.516695| |6.190276|8.031042|5.327316|25.802065|36.858105| |6.084924|7.040282|4.615430|15.259756|15.971730|73.516695| |4.329318|5.158004|4.111806|14.496813|12.691870|14.263750|36.858105| |3.774167|4.049401|3.350590|10.038064|7.347897|10.452196|13.152913|36.858105| |3.017754|3.261413|2.858964|7.632915|5.105778|7.649510|8.243705|14.161645|36.858105| |2.771445|3.157691|2.871440|7.320812|4.727682|7.020361|7.414845|7.406017|11.041432|388.023441| |3.506792|4.289089|3.737128|10.889591|7.545178|10.043695|14.043700|8.148844|7.711711|77.783872|36.858105| |3.353318|4.314045|3.935830|10.140960|6.344433|9.041357|7.821622|5.190924|4.970923|49.210909|13.768899|53.358707| |2.741500|3.395456|3.271893|7.351990|4.377178|6.700146|5.176619|4.011580|4.142890|43.383184|7.867285|19.209716|36.858105| |2.429944|2.895191|2.801472|6.225472|3.722634|5.772418|4.598087|3.877367|4.305630|49.431637|6.835503|11.561912|15.756590|73.516695| |2.534544|3.143556|3.132537|6.323927|3.636340|5.843451|3.884041|3.114043|3.129247|29.185072|5.030029|10.477476|12.501162|14.369096|36.858105| |2.380895|2.890837|2.806182|5.736745|3.415839|5.691348|3.636606|2.971132|2.995162|27.503429|4.592529|8.860164|9.276041|12.505350|17.534016|0.500000| |2.175449|2.617186|2.695486|5.156367|2.890414|4.668931|3.105649|2.631670|2.713456|24.954014|3.873635|6.952881|7.523181|12.161883|12.304964|0.247470|36.858105| |1.987731|2.341136|2.374248|4.624805|2.641568|4.314414|2.892062|2.517114|2.652227|24.612449|3.600661|6.116809|6.537073|12.252385|8.593062|0.219480|17.678088|0.500000| |2.222189|2.674433|2.857669|5.288128|2.851160|4.497847|3.067824|2.628826|2.714461|24.608143|3.767374|6.451774|6.303720|10.651474|7.486401|0.153038|12.395495|0.238329|36.858105| |2.353764|2.880861|3.214208|5.469126|2.851318|4.532550|2.908648|2.460634|2.453362|21.094559|3.402500|5.843691|5.061757|7.845921|6.417929|0.134926|8.010301|0.158187|12.301139|36.858105| |2.342411|2.881713|3.113303|5.366998|2.878100|4.703591|2.873566|2.399601|2.365474|20.239451|3.345625|5.948872|5.186784|7.645839|7.975789|0.172732|8.935289|0.169305|8.003176|12.408541|36.858105| |2.241461|2.723668|2.977665|4.909555|2.617289|4.355311|2.555228|2.162048|2.113287|17.570672|2.880211|4.923275|4.064922|6.168558|5.686247|0.136706|6.104742|0.131302|5.709449|8.594580|17.679029|0.500000| |2.716217|3.463033|3.590663|6.563161|3.595161|5.865376|3.531948|2.817413|2.721514|23.511322|4.184630|8.160820|6.868137|8.901719|12.077779|0.243775|7.930641|0.157751|6.339717|7.482133|12.414041|0.240228|36.858105| |2.576522|3.217868|3.252852|5.932914|3.336389|5.664931|3.219085|2.607948|2.508041|21.187798|3.701206|6.846139|5.550112|7.610094|8.902297|0.240710|6.338828|0.139733|4.870602|5.515863|8.996929|0.219483|17.544070|0.500000| |3.391813|4.644429|4.982060|8.450245|4.345057|6.971969|3.940542|3.042893|2.816592|23.201283|4.387912|8.262749|5.668399|7.489031|6.907730|0.155981|5.083075|0.111623|4.862807|6.029274|7.297031|0.177327|12.330139|0.254181|36.858105| |3.317219|4.454241|5.327527|7.615779|3.730395|6.019490|3.357618|2.696863|2.502575|20.069272|3.609854|6.226753|4.368345|6.213049|5.126558|0.118988|4.356585|0.097380|4.515188|6.197307|6.840545|0.185721|8.078154|0.183057|15.573762|73.516695| |4.012519|5.812968|5.522010|10.775791|5.747706|9.272710|4.834889|3.536082|3.153098|25.391919|5.173645|9.724322|5.726420|7.483474|6.078367|0.148547|4.286251|0.099492|4.012945|4.479397|5.118975|0.127287|8.039976|0.199118|15.258470|15.254085|73.516695| |2.068489|2.476551|2.591619|4.691192|2.597358|4.290547|2.677135|2.285532|2.308340|20.149759|3.171882|5.517054|5.180601|8.185664|8.259058|0.197831|13.500901|0.257428|8.302201|8.262841|13.374647|0.256507|8.285419|0.203526|5.094123|8.160440|7.272000|73.516695| |3.960590|3.863566|3.150693|8.822218|6.069121|9.690676|7.283962|12.792677|7.660106|33.802018|5.065331|5.162193|3.081504|5.291937|2.542220|0.068052|2.198978|0.058573|2.207708|2.113524|2.067779|0.052778|2.382308|0.062274|2.604936|4.218955|5.335560|3.488872|36.858105| |4.120788|3.829835|3.023441|8.126358|5.773657|10.714138|5.847670|7.559727|5.283710|27.079035|4.225100|4.608542|2.777581|4.696116|2.369041|0.064516|2.037775|0.054298|2.012700|1.955829|1.952345|0.050422|2.261747|0.060302|2.487051|4.030763|5.162842|3.291783|13.699734|36.858105| |3.760488|3.304762|2.690056|6.543292|4.255660|8.007583|4.146953|5.027459|3.982294|21.511639|3.245909|3.713952|2.314921|3.946877|2.027088|0.055316|1.779108|0.047574|1.767500|1.731667|1.725021|0.045051|1.961721|0.052651|2.150974|3.556478|4.373667|2.912581|7.897984|13.746718|36.858105| |3.373241|2.952856|2.503790|5.810650|3.567172|6.367491|3.583508|4.417129|3.706678|19.982448|2.906443|3.345066|2.124462|3.671657|1.864604|0.050487|1.666647|0.044684|1.679160|1.641978|1.613446|0.042199|1.803685|0.048086|1.967321|3.299095|3.916362|2.728394|6.744947|7.861142|13.716441|36.858105| |3.294387|2.976602|2.580334|6.071741|3.648410|6.153415|3.866978|5.044266|4.325755|22.339390|3.151156|3.547723|2.255526|3.942842|1.948309|0.052197|1.753491|0.047029|1.789656|1.734027|1.678652|0.043595|1.865523|0.049127|2.027193|3.404602|3.997270|2.840391|7.875385|6.902163|8.014332|13.686730|36.858105| |3.530155|3.343878|2.871013|7.274832|4.476838|7.155058|5.133564|7.628426|6.184023|28.794931|4.022465|4.301414|2.676333|4.688912|2.245476|0.059694|1.999307|0.053484|2.045629|1.959265|1.885682|0.048401|2.117404|0.055152|2.300771|3.813462|4.571993|3.188181|13.675361|7.990914|6.933638|7.884029|13.774850|36.858105| |2.902196|2.514083|2.187108|4.749517|2.837421|5.140477|2.798259|3.266319|2.873916|16.346457|2.362174|2.806126|1.819155|3.152413|1.628495|0.044265|1.473654|0.039625|1.485328|1.461626|1.439061|0.037970|1.589507|0.042664|1.725383|2.927003|3.390230|2.439174|4.385570|4.995815|7.538345|12.536529|7.481638|4.987851|36.858105| |2.375229|2.129196|1.892908|4.049547|2.420435|4.344826|2.462579|2.896881|2.673734|15.320618|2.141411|2.552129|1.683511|2.959000|1.508644|0.041171|1.380210|0.037426|1.390083|1.356161|1.332583|0.035149|1.458778|0.039204|1.558988|2.645164|3.028606|2.281252|3.703651|3.987336|5.286855|7.485535|6.034345|4.286431|12.376549|36.858105| |2.105531|1.884195|1.699042|3.506757|2.067512|3.736303|2.073377|2.359329|2.201067|13.062762|1.835164|2.231389|1.488198|2.613116|1.352394|0.036986|1.246462|0.033831|1.255249|1.231576|1.212773|0.032197|1.317485|0.035572|1.404847|2.401510|2.707871|2.077838|2.876871|3.095711|3.906069|4.882355|4.149488|3.215706|7.493111|12.436380|36.858105| |2.129863|1.881209|1.716963|3.453722|1.992966|3.573133|1.972410|2.207236|2.049036|12.326290|1.749505|2.145946|1.432658|2.505482|1.309500|0.035606|1.212115|0.032758|1.229950|1.215499|1.191170|0.031731|1.286916|0.034658|1.381123|2.382926|2.647969|2.029221|2.659353|2.809614|3.463123|4.326790|3.840905|3.003457|6.400470|7.521954|12.443728|36.858105| |2.483270|2.129505|1.926320|3.855404|2.205386|3.974283|2.131326|2.356832|2.134156|12.836142|1.862760|2.289087|1.512685|2.618425|1.384837|0.037529|1.273345|0.034187|1.293932|1.289142|1.264766|0.033744|1.373229|0.036958|1.491955|2.581344|2.877617|2.136942|2.879284|3.100536|3.913074|4.883587|4.147102|3.216657|7.493405|6.447132|7.539882|12.443838|36.858105| |2.963892|2.504599|2.224131|4.615819|2.650427|4.732461|2.561375|2.892207|2.556243|14.958242|2.185602|2.639502|1.719201|2.966689|1.554083|0.041924|1.416978|0.037909|1.443182|1.434218|1.402512|0.037192|1.535577|0.041082|1.680730|2.891587|3.272010|2.360173|3.708704|3.997549|5.304042|7.489402|6.026672|4.288540|12.375902|7.537998|6.446729|7.521780|12.437027|36.858105| |17.532733|8.861847|6.832671|10.087304|4.717092|8.595139|3.511592|3.112462|2.577723|17.140093|2.974856|3.977263|2.459897|3.891316|2.335426|0.061310|2.029814|0.051559|2.069295|2.222302|2.229153|0.060222|2.547971|0.068018|3.172450|5.661994|6.501816|3.490701|3.256909|3.432216|3.249300|2.957998|2.850616|2.972620|2.646029|2.189071|1.982105|2.024549|2.367649|2.747026|0.500000| |17.603200|8.799068|5.485000|12.576366|6.632219|12.983634|4.544671|4.063447|3.166418|20.100382|3.552594|4.501918|2.689344|4.270129|2.460782|0.065271|2.098769|0.053832|2.109699|2.195631|2.210546|0.058570|2.582718|0.068936|3.134935|5.304980|6.699249|3.529900|4.459440|4.982738|4.544077|3.866496|3.619887|3.831586|3.267727|2.611900|2.290136|2.285121|2.683908|3.249029|0.300972|0.500000| |17.535220|8.829040|6.872964|12.656631|5.472147|8.945144|4.175487|3.810422|3.067412|19.655584|3.391875|4.314663|2.624087|4.207351|2.396703|0.062081|2.095163|0.053407|2.177667|2.288600|2.227073|0.058974|2.529410|0.065872|3.093344|5.451465|6.282341|3.516119|4.101732|4.091282|3.817690|3.589081|3.609888|3.841847|3.080263|2.503927|2.208778|2.266657|2.665966|3.240803|0.300646|0.300214|0.500000| |8.830320|17.677773|8.906688|16.603388|7.570830|13.641188|4.846577|3.749824|3.069523|21.617959|4.164258|5.957753|3.460004|5.156052|3.298589|0.085746|2.686438|0.066604|2.667344|2.893383|3.008185|0.079655|3.725804|0.098919|5.107003|8.412202|12.226832|4.584211|3.532494|3.621352|3.121761|2.733717|2.701278|3.005770|2.354167|2.012168|1.793313|1.775486|1.995724|2.311870|0.211045|0.211975|0.173240|0.500000| |6.945257|8.900904|17.525008|10.217037|4.286220|7.056165|3.387243|2.860474|2.476171|17.591200|3.106733|4.458055|2.815460|4.347351|2.769824|0.070089|2.428496|0.059873|2.553652|2.904139|2.856291|0.077951|3.214948|0.083084|4.336821|8.568200|8.281457|4.246919|2.760002|2.713513|2.480630|2.320321|2.353569|2.550274|2.072236|1.795542|1.633089|1.662482|1.873714|2.131823|0.207120|0.141305|0.172821|0.210165|0.500000| |6.788588|8.849681|17.526952|13.080171|4.886433|7.308776|4.020528|3.398492|2.923576|20.581824|3.647268|5.043763|3.123074|4.873824|2.922998|0.072351|2.581230|0.063678|2.808039|3.105300|2.897198|0.076374|3.235846|0.080545|4.230654|8.044503|8.013633|4.353981|3.227305|3.009708|2.702531|2.579903|2.719584|3.035035|2.250415|1.950006|1.745457|1.778128|1.996080|2.320445|0.166309|0.139775|0.203032|0.174140|0.300629|0.500000| |5.495548|8.858661|17.630684|12.778265|5.077833|7.749380|4.100328|3.254725|2.846856|21.222545|3.948881|6.029076|3.724916|5.517747|3.666233|0.088967|3.118147|0.074529|3.330873|3.890237|3.767884|0.099419|4.411855|0.107748|6.697552|13.465562|12.473583|5.362302|2.950555|2.803573|2.467757|2.292199|2.375072|2.670366|2.004696|1.762439|1.584563|1.589901|1.759926|2.014111|0.141088|0.123248|0.140028|0.218005|0.301256|0.298219|0.500000| |2.672698|2.807229|2.503652|6.272075|4.044623|6.342177|5.690704|8.806053|17.780346|55.410121|5.418530|5.341051|3.456369|6.541020|2.713050|0.072828|2.422631|0.066678|2.433553|2.198102|2.113209|0.052925|2.378579|0.061455|2.436625|3.913576|4.761512|3.703285|6.765877|4.831487|3.867039|3.750211|4.491541|6.266744|2.936102|2.819281|2.299752|2.117305|2.164806|2.580865|0.064448|0.078019|0.076273|0.073538|0.061310|0.071654|0.068846|0.500000| |3.763474|5.146109|4.622094|11.771900|7.111667|10.254816|7.133370|4.672104|4.214057|36.812689|9.161959|25.331077|9.402109|10.832132|7.390001|0.174713|4.797676|0.113776|4.449019|4.386408|4.658317|0.108930|6.934253|0.161801|8.121107|9.941355|20.305293|7.248304|3.618976|3.347714|2.722771|2.429284|2.532676|3.011460|2.052079|1.845183|1.623286|1.570032|1.690572|1.945869|0.091221|0.101757|0.095876|0.151434|0.105378|0.115140|0.149410|0.094820|0.500000| |2.367607|2.857585|3.035427|5.838798|3.134055|4.822658|3.481898|2.977097|3.115088|29.118356|4.401116|7.410160|7.208174|12.719536|6.927720|0.142201|8.654424|0.192636|17.618208|8.581413|6.004092|0.126855|5.590682|0.120178|4.719545|7.686699|7.258672|10.433092|2.450939|2.190338|1.906489|1.817734|1.961352|2.274926|1.592791|1.488941|1.334845|1.306922|1.374939|1.545214|0.060386|0.062402|0.065112|0.077678|0.073872|0.084374|0.097434|0.076787|0.135017|0.500000| |1.986690|2.335955|2.495457|4.564836|2.471682|3.947134|2.663366|2.351716|2.457706|21.877437|3.195229|5.176839|4.844895|8.822503|5.482991|0.124260|8.833238|0.216504|17.558377|8.687957|6.149127|0.135577|4.789092|0.110264|3.845845|6.568758|5.814205|12.463760|2.005786|1.832233|1.627039|1.558667|1.663152|1.884328|1.389965|1.311054|1.189700|1.167059|1.221235|1.353624|0.051760|0.052575|0.054474|0.064472|0.062916|0.068869|0.079096|0.062393|0.099043|0.302612|0.500000| |2.644997|3.309086|3.841810|6.269018|3.149720|4.914277|3.156424|2.634514|2.581356|21.808911|3.630456|6.192780|4.975268|7.519712|5.744663|0.121689|6.057731|0.127452|8.577267|17.662816|8.741656|0.193108|7.011321|0.142523|6.892968|13.672006|8.902842|10.461893|2.265471|2.085085|1.841929|1.748813|1.853621|2.102267|1.550163|1.427235|1.292642|1.281342|1.367484|1.529987|0.069037|0.067380|0.071726|0.090729|0.094575|0.103657|0.133855|0.063730|0.132728|0.217667|0.178106|0.500000| |2.134011|2.550740|2.870649|4.748635|2.473859|3.984059|2.510015|2.175571|2.176619|18.305567|2.865283|4.701792|3.965193|6.444367|4.810123|0.109257|6.113202|0.134223|8.701381|17.556252|8.803353|0.216945|5.484777|0.124401|4.695146|9.064028|6.489675|12.289759|1.902705|1.769395|1.586365|1.515651|1.598580|1.786452|1.362085|1.269696|1.160502|1.149601|1.216352|1.343925|0.056632|0.055264|0.058025|0.070885|0.073736|0.077913|0.094371|0.054981|0.097695|0.179651|0.226155|0.301813|0.500000| |4.182591|4.012102|3.087682|8.422126|6.470086|13.575848|6.182364|6.972921|4.961119|27.238905|4.458334|4.949865|2.943644|4.895164|2.524866|0.069621|2.132209|0.056716|2.069873|2.017710|2.048851|0.052926|2.414600|0.065091|2.658062|4.240697|5.641193|3.455318|8.921948|17.761203|8.935767|5.623807|4.970683|5.668222|4.089135|3.374638|2.738397|2.495895|2.744329|3.385686|0.097498|0.143551|0.109508|0.109860|0.077129|0.082956|0.080454|0.121923|0.101473|0.062059|0.052015|0.059483|0.050432|0.500000| |3.578898|3.110575|2.534110|5.915732|3.827741|7.556558|3.603218|4.102570|3.359955|19.067022|2.902057|3.419640|2.153471|3.654227|1.919243|0.052822|1.685270|0.045111|1.661215|1.638382|1.648672|0.043362|1.874099|0.050852|2.052537|3.401352|4.174637|2.786664|5.640394|8.963543|17.693062|8.920028|5.672680|4.981636|7.009124|4.988857|3.916982|3.439283|3.926624|5.008655|0.088477|0.122013|0.098130|0.083633|0.066052|0.069656|0.064683|0.090490|0.070502|0.049274|0.042567|0.048199|0.041843|0.217208|0.500000| |2.933677|2.661453|2.378359|5.327970|3.105727|5.211104|3.289445|4.124531|3.748027|20.146152|2.786170|3.198166|2.071498|3.651762|1.804984|0.048233|1.648108|0.044321|1.696108|1.643503|1.579258|0.041140|1.731867|0.045548|1.871322|3.175546|3.634380|2.678029|5.632996|4.966151|5.667228|8.881861|17.700272|8.977564|6.903600|6.261297|4.380593|4.193321|4.376138|6.247952|0.071946|0.087149|0.090398|0.067044|0.060807|0.070437|0.061004|0.110569|0.063314|0.051580|0.044137|0.048738|0.042405|0.107807|0.124173|0.500000| |3.245205|3.167548|2.820700|6.952370|4.112577|6.367965|4.910784|7.091145|6.555205|30.680881|4.070425|4.342250|2.744052|4.887924|2.280511|0.060010|2.058275|0.055160|2.138289|2.027390|1.920273|0.049039|2.131620|0.054954|2.296888|3.827228|4.486344|3.254548|8.924877|5.670186|4.983711|5.628786|8.943665|17.718987|4.074777|3.701297|2.885538|2.745772|2.888426|3.707299|0.076665|0.094244|0.099240|0.078579|0.069185|0.084373|0.073744|0.192278|0.082979|0.066853|0.054950|0.060512|0.051426|0.124431|0.108015|0.217624|0.500000| |2.881466|2.480506|2.138298|4.604514|2.779566|5.180291|2.685839|3.056300|2.676259|15.519575|2.272646|2.731048|1.771228|3.051836|1.599166|0.043743|1.441303|0.038753|1.441339|1.424346|1.415109|0.037480|1.568682|0.042422|1.703814|2.885277|3.363196|2.399162|3.995013|4.841547|7.471557|9.017927|5.601658|4.206573|17.497598|8.946787|6.929965|5.766821|6.930260|8.946735|0.073951|0.091745|0.082884|0.065543|0.056766|0.060237|0.054496|0.074996|0.055923|0.042659|0.037428|0.041848|0.036876|0.115441|0.231693|0.139665|0.096523|0.500000| |2.284117|2.080937|1.840042|3.991378|2.430604|4.399064|2.506602|2.978534|2.779855|15.830495|2.188645|2.596700|1.716228|3.029161|1.533201|0.042101|1.399019|0.038104|1.398543|1.356474|1.339490|0.035259|1.471440|0.039672|1.561029|2.629775|3.040962|2.306326|3.783908|4.145133|5.414969|6.915205|5.575824|4.220463|8.819143|17.538308|8.809228|5.484258|4.836024|5.493767|0.058338|0.070181|0.065872|0.055191|0.048323|0.052229|0.047985|0.082299|0.051882|0.041575|0.036636|0.039461|0.035204|0.098516|0.144173|0.150870|0.100658|0.215329|0.500000| |2.315903|2.098603|1.887810|4.034681|2.387386|4.199880|2.472468|2.946517|2.769670|15.754299|2.166101|2.567896|1.700691|3.010000|1.516048|0.041172|1.395205|0.037876|1.415059|1.374429|1.339905|0.035248|1.459419|0.039000|1.555310|2.644695|3.002979|2.296280|3.735553|3.786992|4.716894|6.826842|6.593642|4.583830|8.813938|17.509425|8.857536|6.776100|5.661837|6.785718|0.059004|0.069618|0.068686|0.054632|0.049487|0.054582|0.048950|0.082485|0.051199|0.042305|0.037170|0.040215|0.035785|0.088240|0.117757|0.216098|0.113503|0.174450|0.303743|0.500000| |2.085586|1.861329|1.668717|3.432667|2.036836|3.736346|2.020162|2.269796|2.104454|12.609130|1.787981|2.188008|1.458877|2.551131|1.332966|0.036619|1.224688|0.033238|1.226148|1.206487|1.195878|0.031829|1.302676|0.035357|1.389361|2.371546|2.686157|2.049442|2.746719|3.043031|3.868295|4.527644|3.701459|2.961627|6.759150|8.848862|17.490045|8.856748|6.787891|5.660377|0.054930|0.063557|0.059978|0.049667|0.044774|0.047193|0.043259|0.060501|0.044434|0.036063|0.032244|0.035111|0.031572|0.076295|0.113250|0.103853|0.073279|0.204914|0.214629|0.173811|0.500000| |1.898929|1.725431|1.569941|3.223395|1.900120|3.416957|1.928554|2.194612|2.087503|12.485823|1.730070|2.109198|1.418926|2.508202|1.290890|0.035365|1.196844|0.032623|1.204995|1.177316|1.158081|0.030740|1.252065|0.033820|1.324948|2.265187|2.539533|1.994202|2.618360|2.761642|3.347168|4.055579|3.646284|2.924974|5.470548|8.819319|17.520849|8.811004|5.490263|4.834650|0.049763|0.056856|0.055177|0.045773|0.041900|0.044816|0.040974|0.061237|0.042410|0.035562|0.031858|0.034189|0.030894|0.068614|0.092415|0.108499|0.074518|0.141364|0.211927|0.215057|0.303413|0.500000| |1.942543|1.724710|1.586209|3.137667|1.805047|3.249273|1.780037|1.965320|1.837102|11.228454|1.594711|1.975183|1.327266|2.321595|1.222115|0.033302|1.135738|0.030733|1.150907|1.139979|1.119559|0.029930|1.204573|0.032544|1.288978|2.230814|2.460520|1.910153|2.317788|2.450768|2.949738|3.506920|3.152232|2.565284|4.809676|5.482294|8.808810|17.519635|8.807576|5.481959|0.051883|0.057556|0.057000|0.045509|0.042959|0.045461|0.040948|0.052584|0.040230|0.033820|0.030423|0.033293|0.030056|0.061658|0.082840|0.094087|0.065944|0.128831|0.123075|0.139203|0.214811|0.211573|0.500000| |2.077774|1.850814|1.706226|3.422910|1.959925|3.466114|1.960955|2.206868|2.070422|12.442245|1.749071|2.140493|1.433806|2.519103|1.306735|0.035398|1.215621|0.032875|1.240690|1.222880|1.190758|0.031667|1.280715|0.034343|1.371709|2.372198|2.616585|2.029766|2.640906|2.706461|3.247879|4.127418|3.915912|3.061836|5.625558|6.776022|8.855560|17.489547|8.855185|6.775690|0.054630|0.061170|0.062067|0.048207|0.045723|0.049513|0.043970|0.059873|0.043299|0.036734|0.032781|0.035838|0.032177|0.066354|0.086929|0.125045|0.079421|0.132775|0.139243|0.199466|0.173817|0.214766|0.303243|0.500000| |2.473412|2.110293|1.894881|3.775531|2.175183|3.986826|2.076269|2.267395|2.042988|12.395092|1.814682|2.244989|1.483030|2.556261|1.365522|0.037171|1.251404|0.033592|1.263917|1.263214|1.248172|0.033399|1.359219|0.036785|1.477856|2.553482|2.860286|2.108902|2.748812|3.047688|3.875176|4.528352|3.699506|2.962293|6.758594|5.660084|6.787216|8.856474|17.490574|8.848616|0.066227|0.075133|0.072417|0.055550|0.051541|0.053910|0.048114|0.057144|0.046309|0.037136|0.033097|0.037148|0.033100|0.076466|0.113559|0.103768|0.073341|0.204894|0.126702|0.131118|0.199824|0.139342|0.214789|0.173811|0.500000| |2.429080|2.076702|1.907295|3.717547|2.090739|3.739982|2.009533|2.191259|1.992740|12.154268|1.769893|2.193836|1.455545|2.516245|1.339874|0.036183|1.238102|0.033171|1.264803|1.266393|1.237974|0.033129|1.336376|0.035912|1.455650|2.538128|2.789679|2.085323|2.621545|2.767554|3.354783|4.056996|3.643740|2.926321|5.471119|4.835232|5.490614|8.811968|17.523691|8.821067|0.065099|0.071599|0.073170|0.053814|0.051920|0.055248|0.048258|0.055881|0.045143|0.037278|0.033225|0.037396|0.033317|0.068821|0.092697|0.108358|0.074631|0.141375|0.106538|0.126716|0.139356|0.123148|0.211543|0.214780|0.303451|0.500000| 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