Version2.0 2020-02-03T02:31:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(ccc1CCNC(=O)C2CC[NH+](CC2)Cc3nc(no3)c4ccc5c(c4)OCO5)S(=O)(=O)N C40931265 RHF 6-31G(d) (6D,7F) c1cc(ccc1CCNC(=O)C2CC[NH+](CC2)Cc3nc(no3)c4ccc5c(c4)OCO5)S(=O)(=O)N C01[X(C24H28N5O6S1)] 186 C1 600 O=C(C1CC[NH+](CC1)Cc1onc(n1)c1ccc2c(c1)OCO2)NCCc1ccc(cc1)S(=O)(=O)N O=C(C1CC[NH+](CC1)Cc1onc(n1)c1ccc2c(c1)OCO2)NCCc1ccc(cc1)S(=O)(=O)N N[S](=O)(=O)c1ccc(CCNC(=O)C2CC[NH+](CC2)Cc3onc(n3)c4ccc5OCOc5c4)cc1 InChIKey=RXRHQJYYBXDSLY-UHFFFAOYSA-O InChI=1S/C24H27N5O6S/c25-36(31,32)19-4-1-16(2-5-19)7-10-26-24(30)17-8-11-29(12-9-17)14-22-27-23(28-35-22)18-3-6-20-21(13-18)34-15-33-20/h1-6,13,17H,7-12,14-15H2,(H,26,30)(H2,25,31,32)/p+1 InChI=1/C24H27N5O6S/c25-36(31,32)19-4-1-16(2-5-19)7-10-26-24(30)17-8-11-29(12-9-17)14-22-27-23(28-35-22)18-3-6-20-21(13-18)34-15-33-20/h1-6,13,17H,7-12,14-15H2,(H,26,30)(H2,25,31,32)/p+1/fC24H28N5O6S/h26,29H,25H2/q+1 c1cc(ccc1CCNC(=O)C2CC[NH+](CC2)Cc3nc(no3)c4ccc5c(c4)OCO5)S(=O)(=O)N C01[X(C24H28N5O6S1)] 186 C01 600 O=C(C1CC[NH+](CC1)Cc1onc(n1)c1ccc2c(c1)OCO2)NCCc1ccc(cc1)S(=O)(=O)N O=C([C@@H]1CC[NH](CC1)CC1=N[C@@H](NO1)c1ccc2c(c1)OCO2)NCCc1ccc(cc1)S(=O)(=O)N N[S](=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC[NH](CC2)CC3=N[C@@H](NO3)c4ccc5OCOc5c4)cc1 InChIKey=RMAGRIPBNVAPOC-QHCPKHFHSA-N InChI=1S/C24H30N5O6S/c25-36(31,32)19-4-1-16(2-5-19)7-10-26-24(30)17-8-11-29(12-9-17)14-22-27-23(28-35-22)18-3-6-20-21(13-18)34-15-33-20/h1-6,13,17,23,28-29H,7-12,14-15H2,(H,26,30)(H2,25,31,32)/t23-/m0/s1 InChI=1/C24H30N5O6S/c25-36(31,32)19-4-1-16(2-5-19)7-10-26-24(30)17-8-11-29(12-9-17)14-22-27-23(28-35-22)18-3-6-20-21(13-18)34-15-33-20/h1-6,13,17,23,28-29H,7-12,14-15H2,(H,26,30)(H2,25,31,32)/t23-/m0/s1/f/h26H,25H2 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8012.8632 94354.2766 99761.9023 1.00000 0.00164 -0.00040 -0.00164 0.99999 0.00438 0.00041 -0.00438 0.99999 1 0.01081 0.00092 0.00087 0.22523 0.01913 0.01809 9.95 14.16 18.93 26.43 30.73 34.57 50.71 54.75 65.26 74.30 97.74 101.06 110.65 126.78 158.23 203.21 224.16 232.61 271.32 280.61 295.85 328.53 334.47 355.01 373.08 420.24 430.83 458.28 472.92 481.10 509.18 531.11 560.28 599.37 601.31 604.37 619.15 654.13 672.91 679.34 684.71 698.07 711.21 735.04 767.23 783.90 801.59 887.30 893.61 901.45 915.46 938.29 1000.84 1034.21 1060.83 1076.99 1100.90 1128.91 1132.34 1157.81 1171.41 1177.17 1193.03 1212.47 1230.41 1247.86 1269.45 1292.32 1296.78 1348.15 1355.78 1367.03 1378.81 1393.94 1410.99 1433.05 1443.15 1451.89 1471.56 1499.96 1519.39 1542.19 1543.63 1578.61 1587.76 1596.40 1604.11 1605.47 1617.78 1617.89 1646.87 1653.17 1657.95 1663.49 1683.52 1697.04 1715.73 1722.06 1725.69 1736.94 1757.02 1764.95 1797.86 1812.53 1823.98 1824.97 1869.74 1873.70 1886.17 1899.17 1907.91 1913.25 1920.00 1943.97 1969.11 1989.27 2027.45 2050.81 2082.53 2083.90 2090.72 2095.85 2102.66 2115.90 2131.33 2133.24 2137.70 2170.30 2188.53 2196.43 2214.80 2236.46 2243.54 2258.01 2264.03 2278.61 2285.47 2316.21 2336.53 2338.80 2346.72 2349.39 2358.66 2366.00 2370.88 2384.70 2408.77 2416.25 2467.22 2473.28 2522.24 2545.24 2548.03 2602.10 2607.46 2618.92 2693.04 2788.89 4619.35 4633.25 4662.94 4666.50 4687.59 4697.04 4705.57 4705.76 4717.94 4721.89 4731.60 4737.31 4784.77 4789.04 4807.57 4817.73 4826.35 4838.76 4843.06 4899.20 4910.63 4911.72 4918.42 4919.51 5269.78 5406.82 5570.19 5596.33 0.559792 0.590622 0.591567 0.487922 -2043.208917 -2043.178087 -2043.177143 -2043.280788 3.476270D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE c1cc(ccc1CCNC(=O)C2CC[NH+](CC2)Cc3nc(no3)c4ccc5c(c4)OCO5)S(=O)(=O)N C40931265 RHF 6-31G(d) (6D,10F) C1 514.176031 |X|Y|Z| 61.430209 29.987346 220.273475 74.033351 31 6 7 8 24 4 3 |36.858105| |13.778825|36.858105| 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|2.075670|1.808484|1.667064|1.711744|1.934064|2.170996|2.588636|2.832800|4.807235|4.434854|7.404833|6.449627|7.650620|12.647451|53.358707| |2.133466|1.856826|1.694059|1.721411|1.936171|2.196051|2.599478|2.822124|4.683397|4.426821|7.862827|5.929526|7.187846|9.287866|25.634047|0.500000| |2.223500|1.915080|1.770727|1.838813|2.107572|2.371338|2.902891|3.091399|5.376214|4.932995|7.873159|7.505657|6.517100|7.674594|17.183857|0.258514|36.858105| |2.703610|2.260818|2.060704|2.145135|2.513574|2.916227|3.750703|4.015739|7.415652|7.639279|11.613692|12.410091|7.590804|6.515928|10.416011|0.200301|12.517682|36.858105| |1.786606|1.584748|1.475551|1.513303|1.686849|1.859972|2.162719|2.328403|3.802962|3.301547|5.585329|4.357915|4.980734|7.673144|17.360741|0.260260|7.625472|4.969932|36.858105| |1.706049|1.521966|1.414681|1.442562|1.597174|1.760004|2.024001|2.120386|3.373480|2.902816|5.060187|3.606427|3.867974|5.028528|10.556541|0.208320|6.270643|4.365173|12.739527|36.858105| |1.561971|1.405660|1.316218|1.344493|1.479929|1.613446|1.835984|1.899393|2.975657|2.491162|4.326880|3.006939|3.125034|3.881866|7.190121|0.139860|4.856261|3.578551|7.676450|15.076081|53.358707| |1.537348|1.389030|1.295663|1.314381|1.438609|1.572148|1.772512|1.807918|2.783464|2.329660|4.139004|2.713885|2.787882|3.275684|5.886048|0.123261|4.108293|3.258225|5.380003|9.242532|18.666639|36.858105| |1.649255|1.483369|1.370842|1.381679|1.513613|1.671868|1.888003|1.924267|2.956956|2.521962|4.580166|2.907563|3.013128|3.462367|6.350094|0.143415|4.331812|3.546358|5.337913|8.839274|11.612493|14.820986|53.358707| |1.785200|1.589424|1.463028|1.478625|1.633292|1.818312|2.083528|2.163882|3.400112|2.977297|5.378483|3.571331|3.828026|4.610825|9.415754|0.226610|5.741867|4.418827|7.965180|14.579847|11.964085|9.037599|18.658568|73.516695| |1.402045|1.278736|1.199902|1.216580|1.321862|1.431438|1.594212|1.609477|2.439339|2.000531|3.554792|2.273521|2.302949|2.629888|4.445270|0.092054|3.209964|2.669480|3.880084|5.485570|10.340683|13.006703|10.677525|9.573606|36.858105| |1.312579|1.202073|1.136459|1.157851|1.256044|1.348161|1.497244|1.514334|2.293202|1.853343|3.250985|2.109906|2.128899|2.443130|4.011027|0.080548|2.924284|2.429920|3.548467|4.636158|8.939348|7.744277|7.097051|7.462004|13.771748|36.858105| |1.213020|1.118912|1.062263|1.081104|1.165638|1.243196|1.367424|1.374527|2.057105|1.643015|2.889170|1.837601|1.843571|2.072523|3.301556|0.066600|2.429726|2.085325|2.816833|3.461707|6.031979|5.072213|5.348858|5.777675|7.859829|13.624591|36.858105| |1.194394|1.105445|1.047322|1.060842|1.139094|1.216297|1.329534|1.327767|1.969458|1.573411|2.795274|1.734236|1.736482|1.918838|3.041952|0.062466|2.242172|1.968948|2.523731|3.090048|5.109447|4.541184|5.148315|5.418256|6.976845|8.093931|13.946836|36.858105| |1.260741|1.164305|1.096438|1.105518|1.187547|1.276472|1.396094|1.390528|2.059684|1.660512|2.981601|1.821613|1.827027|2.005173|3.218394|0.067394|2.363087|2.089984|2.634445|3.306132|5.331477|5.146419|6.126968|6.084181|8.083719|6.964664|7.899508|13.710586|36.858105| |1.369495|1.255571|1.175690|1.184923|1.279836|1.386436|1.529344|1.529621|2.285995|1.868477|3.366618|2.072474|2.089584|2.316677|3.826067|0.081128|2.783445|2.418833|3.165027|4.205978|6.874893|7.670334|9.005746|8.008193|13.494474|7.825510|6.711402|7.922505|14.028630|36.858105| |1.206774|1.121184|1.056495|1.061114|1.133279|1.215271|1.317442|1.304790|1.912230|1.532584|2.769082|1.655285|1.656020|1.787610|2.818302|0.059379|2.075159|1.880627|2.252415|2.732909|4.215065|3.873907|4.942440|5.111400|5.203165|4.683681|5.397577|8.538152|14.104684|7.797593|73.516695| |1.118156|1.043651|0.989121|0.995739|1.060212|1.129114|1.218785|1.207356|1.763763|1.400025|2.513607|1.509005|1.507153|1.625794|2.524312|0.052554|1.863939|1.694061|2.021129|2.390488|3.696420|3.221768|4.030602|4.351886|4.215010|4.215983|5.347034|8.573175|8.570580|5.357566|24.016223|36.858105| |1.115579|1.038768|0.987338|0.998743|1.066784|1.133555|1.229367|1.223004|1.798192|1.424747|2.535317|1.551727|1.549577|1.690836|2.630852|0.054070|1.945520|1.741562|2.142888|2.538664|4.041770|3.451999|4.119810|4.486202|4.697818|5.223506|7.805885|14.199064|8.557352|5.419003|14.915177|13.466281|73.516695| |4.739821|6.968463|10.764981|6.971764|4.739742|4.192956|3.145510|2.817901|3.162706|2.129420|3.911813|1.825015|1.690077|1.493665|1.972225|0.040924|1.523028|1.733281|1.301708|1.255270|1.601319|1.162798|1.668612|2.305894|1.085799|1.031906|0.971011|0.960577|1.003680|1.069095|1.729075|0.914645|1.619259|388.023441| |3.849851|4.977676|7.362670|6.507911|4.434724|3.696609|2.874442|2.563667|2.934159|1.963368|3.547740|1.709651|1.575670|1.406820|1.862718|0.038409|1.446328|1.632168|1.237621|1.194996|1.533557|1.111905|1.585426|2.182249|1.043321|0.996612|0.940989|0.929912|0.967580|1.026296|1.667888|0.885891|1.571482|94.739198|73.516695| |4.428944|6.486238|7.359980|4.986665|3.853190|3.696005|2.875181|2.575385|2.946382|2.032518|3.799773|1.750619|1.633806|1.450014|1.929808|0.040340|1.483784|1.683128|1.276869|1.240606|1.583486|1.157974|1.669301|2.295448|1.083576|1.025752|0.966890|0.961100|1.008288|1.073433|1.744234|0.920966|1.622888|94.743087|13.544144|73.516695| |4.053438|5.450663|7.035168|5.419876|4.040127|3.649143|2.855087|2.708772|3.054138|2.053762|3.760027|1.768184|1.664539|1.470419|1.918341|0.039750|1.463290|1.653919|1.269393|1.215816|1.548323|1.119668|1.604437|2.226175|1.043901|0.994146|0.934920|0.922797|0.962249|1.024994|1.655521|0.877024|1.555273|82.167329|13.659740|13.675481|53.358707| |17.707303|8.952639|5.665537|4.950670|5.649754|8.900561|7.017533|5.702097|5.825860|4.087657|8.359658|3.098810|2.762522|2.286211|3.032446|0.064462|2.372777|2.921631|1.899421|1.819472|2.250229|1.634762|2.411729|3.423664|1.481897|1.376629|1.267219|1.250522|1.328005|1.450910|2.258440|1.170465|2.070110|27.865032|5.744607|6.899151|4.731967|0.500000| |8.907501|17.754282|8.919064|5.638634|4.955621|5.626021|4.090649|3.588615|3.909408|2.712303|5.252570|2.231256|2.063983|1.780089|2.360211|0.049812|1.817257|2.123375|1.528038|1.476128|1.857287|1.356371|1.978890|2.757145|1.251653|1.173508|1.094675|1.085859|1.147022|1.235617|1.971356|1.031280|1.817679|47.319804|8.163284|13.223839|7.333546|0.215396|0.500000| |4.954612|5.638244|8.924934|17.755161|8.900188|5.625842|4.084528|3.520758|3.850404|2.453377|4.311982|2.091894|1.876885|1.650020|2.164653|0.044208|1.705979|1.960843|1.419481|1.354262|1.728185|1.239800|1.763518|2.454616|1.153479|1.103396|1.034192|1.014144|1.052660|1.123177|1.798596|0.953374|1.702405|47.343905|13.316765|8.185618|7.261130|0.107544|0.124208|0.500000| |5.647694|4.951722|5.668581|8.954793|17.706384|8.901152|6.986094|5.439439|5.634443|3.331132|5.600996|2.753852|2.355223|2.027951|2.647079|0.053491|2.139330|2.535751|1.701702|1.604285|2.030677|1.441297|2.048886|2.889226|1.325892|1.266886|1.175772|1.144185|1.187109|1.277296|2.008304|1.059934|1.904180|27.875406|6.914923|5.752732|4.712789|0.124047|0.107561|0.215472|0.500000| |7.115587|4.724903|3.994137|4.226926|5.695556|8.900745|17.574155|8.896219|9.563077|6.318225|11.690216|4.409044|3.483507|2.814147|3.775173|0.078596|3.145265|4.189461|2.290786|2.169100|2.662475|1.904969|2.793460|4.028624|1.704657|1.585552|1.442875|1.408287|1.489866|1.641993|2.498904|1.291800|2.307831|20.814370|4.723509|4.931277|3.584439|0.212293|0.111905|0.097381|0.144608|0.500000| |5.650563|4.207481|3.989705|4.739545|7.182148|8.892337|17.545907|8.854332|9.489644|5.248671|8.392676|4.031436|3.155144|2.623475|3.462935|0.069845|2.918694|3.717603|2.146164|2.010392|2.504283|1.767654|2.535270|3.635373|1.597465|1.510830|1.382171|1.339064|1.398288|1.526215|2.341368|1.223048|2.202422|20.794103|4.927380|4.708771|3.592001|0.143137|0.096858|0.112409|0.216557|0.302676|0.500000| |5.128639|4.018881|3.812443|4.364012|5.910030|6.860873|8.801454|17.597833|12.576714|5.822466|8.964976|4.250985|3.571687|2.836375|3.494054|0.070176|2.770095|3.437978|2.155588|1.955374|2.406670|1.675589|2.402444|3.506724|1.502889|1.426482|1.301145|1.254106|1.305074|1.426259|2.180189|1.141673|2.061289|20.401677|4.703366|4.542420|3.835661|0.132289|0.094410|0.105049|0.167687|0.173864|0.211940|0.500000| |6.198480|4.492019|3.838586|3.975629|5.024040|6.916253|8.822872|17.640685|12.553167|7.306136|13.256423|4.662496|4.040881|3.065095|3.797721|0.078708|2.947763|3.778969|2.293402|2.093572|2.538745|1.786579|2.611806|3.843424|1.587634|1.485711|1.348883|1.308198|1.376234|1.516459|2.302229|1.195308|2.143681|20.514186|4.542976|4.761257|3.843319|0.182245|0.108792|0.092890|0.127436|0.212413|0.173667|0.302897|0.500000| |3.574508|2.893180|2.721594|3.012237|3.806780|4.355546|6.263118|8.988119|26.086892|9.425463|10.864286|7.417486|5.167896|3.941210|4.745927|0.091548|3.962916|5.208580|2.803193|2.459388|2.978892|2.022512|2.880942|4.315308|1.778991|1.689736|1.516486|1.442355|1.496593|1.654543|2.462273|1.283992|2.341222|15.524505|3.664593|3.588626|2.879705|0.099729|0.071534|0.075771|0.112291|0.155277|0.179442|0.228914|0.182366|0.500000| |2.717432|2.281229|2.126852|2.269032|2.697740|3.049463|3.976153|4.775678|10.246698|8.779435|10.437723|17.522090|8.839852|6.722973|7.649826|0.135461|6.736147|8.839034|4.116935|3.366518|3.926563|2.562269|3.633921|5.709780|2.177251|2.058973|1.801713|1.686736|1.749744|1.970369|2.823665|1.461281|2.690962|12.654071|2.996918|3.004088|2.353245|0.078774|0.058531|0.058065|0.077635|0.112036|0.111946|0.119550|0.118781|0.238940|0.500000| |2.536310|2.175405|1.999449|2.066430|2.369483|2.688819|3.250717|4.095537|7.432290|6.812749|10.232937|8.773320|17.570536|8.991113|7.602477|0.145524|4.894453|5.507402|4.146697|3.271397|3.716206|2.444913|3.542775|5.690856|2.063030|1.932838|1.693778|1.596358|1.667271|1.882605|2.704572|1.396221|2.553178|12.125097|2.824533|2.909543|2.315299|0.075101|0.057137|0.052800|0.065965|0.091601|0.085417|0.104601|0.115733|0.146846|0.215274|0.500000| |2.652780|2.253567|2.023299|2.050859|2.339977|2.727411|3.298201|3.923253|6.805681|7.263013|13.263536|8.867568|17.569673|8.858852|9.334134|0.209912|5.676346|6.789646|4.617387|3.793751|4.143641|2.797856|4.240164|7.054840|2.306444|2.098816|1.822207|1.735615|1.847647|2.123888|2.994191|1.522177|2.757076|12.254536|2.829143|2.991626|2.309393|0.081292|0.059980|0.051879|0.063878|0.098327|0.084760|0.095001|0.114620|0.124531|0.174150|0.303831|0.500000| |2.037364|1.783496|1.669402|1.738091|1.971199|2.173473|2.591786|2.971298|5.184795|4.464899|6.865277|6.710310|8.748443|17.603013|12.418918|0.181651|7.048974|5.754247|7.074382|4.624467|5.115652|3.096764|4.288364|7.151888|2.536026|2.415345|2.057298|1.883463|1.938649|2.212781|3.066969|1.585173|2.957718|10.316807|2.448394|2.487634|1.946420|0.059515|0.047047|0.045181|0.055855|0.073938|0.071516|0.077427|0.080112|0.110417|0.195664|0.213637|0.172708|0.500000| |1.996360|1.758972|1.626230|1.662209|1.859163|2.070652|2.414792|2.764063|4.606996|4.105087|6.887794|5.470969|8.807941|17.625924|12.357200|0.222946|5.605161|4.891641|7.217739|4.832833|5.110291|3.196257|4.614270|7.978956|2.577002|2.393080|2.036407|1.889770|1.976265|2.279628|3.139345|1.607232|2.965882|10.127526|2.380021|2.468521|1.922049|0.059256|0.047048|0.043014|0.051730|0.069840|0.064844|0.071267|0.077682|0.092837|0.138249|0.213408|0.215058|0.301006|0.500000| |2.108042|1.828605|1.712996|1.797404|2.061308|2.279342|2.780074|2.976027|5.193852|4.472939|6.865918|6.738587|5.776358|7.069661|12.423111|0.181949|17.604598|8.752264|7.032670|5.520183|6.270157|3.760533|5.110305|8.355986|3.036029|2.869967|2.400184|2.182006|2.251840|2.602821|3.512550|1.800503|3.379916|10.512344|2.515044|2.542373|1.938647|0.061514|0.047957|0.046688|0.058895|0.081603|0.079245|0.075783|0.077490|0.111245|0.196833|0.129647|0.132579|0.214932|0.144690|0.500000| |2.109665|1.831711|1.694195|1.750716|1.989504|2.228923|2.682604|2.764866|4.606653|4.102531|6.866635|5.475632|4.888369|5.603443|12.324451|0.222997|17.645217|8.814312|7.149319|7.243284|7.784372|4.955118|7.139742|12.102805|3.765734|3.345568|2.729295|2.519324|2.684422|3.226852|4.135783|2.064185|3.833228|10.435882|2.484133|2.558585|1.907342|0.062615|0.048558|0.045234|0.055919|0.081627|0.075193|0.069000|0.073584|0.093477|0.138564|0.107738|0.127319|0.144479|0.126450|0.300870|0.500000| |2.822619|2.350358|2.105405|2.154753|2.503134|2.957959|3.742637|3.918192|6.788761|7.239194|13.172259|8.857840|6.788025|5.683043|9.349567|0.211067|8.858324|17.569012|4.613383|4.300118|4.756449|3.316363|5.132816|8.355291|2.706736|2.409465|2.073636|1.986799|2.143941|2.502517|3.452336|1.731144|3.127045|12.595803|2.938271|3.092595|2.292005|0.086900|0.061964|0.054300|0.068801|0.120774|0.099665|0.091445|0.106352|0.125185|0.174026|0.138893|0.198256|0.132347|0.127633|0.172712|0.214782|0.500000| |2.791425|2.323386|2.134331|2.249359|2.667026|3.078667|4.040150|4.095024|7.416074|6.800651|10.188901|8.772129|5.506686|4.891015|7.602333|0.145941|8.995558|17.569422|4.135007|3.810746|4.474501|3.039201|4.413106|6.796509|2.561893|2.357929|2.047595|1.938192|2.046678|2.340109|3.291250|1.676627|3.065909|12.683442|3.008764|3.066182|2.289354|0.082651|0.060036|0.057184|0.075632|0.126323|0.115739|0.097506|0.103076|0.148923|0.215124|0.123071|0.138952|0.129099|0.107737|0.213316|0.214013|0.303877|0.500000| |1.723262|1.533024|1.440116|1.488524|1.661368|1.812929|2.108961|2.268048|3.716064|3.133841|5.165337|4.154793|4.526474|6.765336|12.280491|0.181362|7.111681|4.626754|17.659806|8.958416|9.686991|4.813596|6.074412|10.376074|3.681011|3.544980|2.830942|2.485776|2.530405|2.969303|3.842895|1.970549|3.766378|9.046079|2.163378|2.206890|1.688912|0.050374|0.040868|0.038989|0.046966|0.061346|0.058906|0.059012|0.061236|0.077810|0.115328|0.108608|0.111728|0.204301|0.169792|0.216540|0.182261|0.113898|0.111674|0.500000| |1.711289|1.528233|1.422990|1.452414|1.607565|1.767849|2.030411|2.208227|3.556502|3.061705|5.250436|3.904902|4.755879|7.358886|12.371068|0.218832|5.586795|4.156716|17.608159|8.992558|8.524003|4.724674|6.477562|11.968295|3.544196|3.267590|2.643968|2.386187|2.487178|2.952659|3.818497|1.936908|3.635621|8.979625|2.129637|2.205243|1.688017|0.050557|0.041122|0.037893|0.044878|0.059335|0.055511|0.057196|0.061176|0.072453|0.102350|0.114540|0.125538|0.183972|0.231554|0.145791|0.143840|0.110341|0.096855|0.300390|0.500000| |1.322828|1.208953|1.145782|1.172272|1.275600|1.366518|1.524697|1.553089|2.370781|1.912053|3.316835|2.208027|2.234880|2.614092|4.285023|0.083896|3.110642|2.526469|3.925656|5.013041|10.221234|7.174160|6.581788|7.487971|8.951023|17.759845|8.913631|5.723105|5.002915|5.600660|6.590308|3.442273|7.437818|7.381826|1.784320|1.826615|1.364633|0.038432|0.032673|0.031063|0.035879|0.044625|0.042875|0.040770|0.042171|0.048878|0.060485|0.056462|0.060382|0.072952|0.070948|0.086758|0.097723|0.068364|0.067875|0.112997|0.099599|0.500000| |1.156812|1.070130|1.020551|1.041317|1.120961|1.189059|1.304503|1.312879|1.961327|1.553357|2.715712|1.734774|1.737895|1.951569|3.055498|0.060990|2.254825|1.944859|2.599741|3.078293|5.250846|4.120905|4.478906|5.054696|5.600485|8.802837|17.759228|8.932187|5.622652|4.870792|7.762406|4.645621|12.233565|6.650727|1.616254|1.651828|1.227629|0.033421|0.029045|0.027760|0.031502|0.038016|0.036749|0.034707|0.035702|0.040369|0.047681|0.044711|0.047403|0.054414|0.053287|0.062823|0.069301|0.053246|0.053287|0.073943|0.068217|0.212921|0.500000| |1.428850|1.308357|1.218086|1.221614|1.318645|1.436958|1.583169|1.579420|2.351641|1.936724|3.534172|2.128204|2.150264|2.352927|3.897351|0.084684|2.821085|2.496527|3.135557|4.149177|6.314178|7.003942|9.963133|8.490872|8.752468|5.584294|4.870978|5.632283|8.958523|17.762530|12.222112|4.651396|7.782265|7.868308|1.880771|1.983146|1.441745|0.042305|0.035887|0.032054|0.036373|0.047537|0.043612|0.040684|0.043732|0.046887|0.055509|0.053559|0.061572|0.061499|0.064427|0.071811|0.090905|0.073213|0.066722|0.079878|0.081634|0.123233|0.106184|0.500000| |1.068871|1.000934|0.949030|0.953310|1.011824|1.076255|1.156980|1.149819|1.674313|1.327043|2.387484|1.425352|1.433996|1.545268|2.375901|0.049569|1.735220|1.584420|1.902641|2.224384|3.399521|2.920169|3.700602|4.054393|3.692768|3.694570|4.549023|6.528876|6.522775|4.553106|16.552188|17.643601|16.556654|6.262347|1.515409|1.578212|1.152703|0.031074|0.027536|0.025375|0.028059|0.033981|0.032164|0.030266|0.031723|0.033826|0.038330|0.037082|0.040329|0.041814|0.042738|0.046578|0.052827|0.045028|0.043356|0.051412|0.051247|0.086054|0.113766|0.113771|0.500000| |1.105239|1.033821|0.981654|0.988490|1.050730|1.116291|1.201374|1.183013|1.720724|1.359383|2.440304|1.455902|1.442148|1.542093|2.383086|0.049543|1.780271|1.634347|1.883112|2.200414|3.360272|2.881815|3.656689|4.011028|3.635931|3.637956|4.478181|6.417049|6.409550|4.480918|16.565550|17.666266|16.563823|6.466635|1.569339|1.629264|1.183434|0.032071|0.028377|0.026326|0.029190|0.035369|0.033565|0.031096|0.032472|0.034805|0.039235|0.037171|0.040424|0.041847|0.042132|0.047868|0.054706|0.046380|0.045295|0.051205|0.049910|0.084880|0.112333|0.112291|0.297055|0.500000| |3.476177|4.390610|5.676070|4.927110|3.722619|3.272452|2.625970|2.511417|2.870387|1.922180|3.479698|1.673864|1.577385|1.402971|1.827925|0.037710|1.394538|1.565060|1.215740|1.163286|1.486421|1.072699|1.530398|2.120215|1.002775|0.958602|0.903295|0.890459|0.925589|0.983328|1.592545|0.846169|1.503084|60.982267|13.678671|10.550163|25.905313|0.083610|0.117910|0.145149|0.091851|0.066935|0.068710|0.073565|0.071682|0.055912|0.045825|0.044907|0.044375|0.038113|0.037452|0.037916|0.037099|0.043977|0.044286|0.033144|0.033012|0.026892|0.024265|0.028146|0.022708|0.023315|0.500000| 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