Version2.2 2021-02-05T03:58:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCN(c1nc2ccc(cc2s1)[N+](=O)[O-])C(=O)CSc3ccc(cc3)OC C10022528 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCN(c1nc2ccc(cc2s1)[N+](=O)[O-])C(=O)CSc3ccc(cc3)OC C01[X(C22H27N4O4S2)] 171 C1 542 COc1ccc(cc1)SCC(=O)N(c1nc2c(s1)cc(cc2)[N+](=O)[O-])CC[NH+](CC)CC COc1ccc(cc1)SCC(=O)N(c1nc2c(s1)cc(cc2)[N+](=O)[O-])CC[NH+](CC)CC CC[NH+](CC)CCN(C(=O)CSc1ccc(OC)cc1)c2sc3cc(ccc3n2)[N+]([O-])=O InChIKey=WNTNJSHGJXYRCA-UHFFFAOYSA-O InChI=1S/C22H26N4O4S2/c1-4-24(5-2)12-13-25(21(27)15-31-18-9-7-17(30-3)8-10-18)22-23-19-11-6-16(26(28)29)14-20(19)32-22/h6-11,14H,4-5,12-13,15H2,1-3H3/p+1 InChI=1/C22H26N4O4S2/c1-4-24(5-2)12-13-25(21(27)15-31-18-9-7-17(30-3)8-10-18)22-23-19-11-6-16(26(28)29)14-20(19)32-22/h6-11,14H,4-5,12-13,15H2,1-3H3/p+1/fC22H27N4O4S2/h24H/q+1 CC[NH+](CC)CCN(c1nc2ccc(cc2s1)[N+](=O)[O-])C(=O)CSc3ccc(cc3)OC C01[X(C22H27N4O4S2)] 171 C01 542 COc1ccc(cc1)SCC(=O)N(c1nc2c(s1)cc(cc2)[N+](=O)[O-])CC[NH+](CC)CC CC[NH](CCN([C]1[N][C]2[C]([CH][C]([CH][CH]2)[N]([O])[O])S1)C(=O)CS[C]1[CH][CH][C]([CH][CH]1)OC)CC CC[NH](CC)CCN([C]1[N][C]2[CH][CH][C]([CH][C]2S1)N([O])[O])C(=O)CS[C]3[CH][CH][C]([CH][CH]3)OC InChIKey=SFNVMUQONXODGC-UHFFFAOYSA-N InChI=1S/C22H27N4O4S2/c1-4-24(5-2)12-13-25(21(27)15-31-18-9-7-17(30-3)8-10-18)22-23-19-11-6-16(26(28)29)14-20(19)32-22/h6-11,14,24H,4-5,12-13,15H2,1-3H3 InChI=1/C22H27N4O4S2/c1-4-24(5-2)12-13-25(21(27)15-31-18-9-7-17(30-3)8-10-18)22-23-19-11-6-16(26(28)29)14-20(19)32-22/h6-11,14,24H,4-5,12-13,15H2,1-3H3 3436.8853720600 -2160.7607704 1-A 26062.4530 125 417 542 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.08960 -92.03543 -20.67492 -20.66686 -20.66587 -20.66535 -15.92177 -15.86168 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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 7 1 6 6 6 6 7 6 7 6 6 6 6 6 6 16 7 8 8 6 8 6 16 6 6 6 6 6 6 8 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 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 14.00307 15.99491 15.99491 12.00000 15.99491 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 8717.7504 40227.5034 47420.5794 0.99999 -0.00368 -0.00186 0.00369 0.99998 0.00456 0.00184 -0.00457 0.99999 1 0.00994 0.00215 0.00183 0.20702 0.04486 0.03806 13.16 28.10 34.44 38.44 45.89 51.14 61.38 79.21 89.59 112.68 118.09 127.33 131.37 140.13 192.24 200.91 220.49 229.15 273.76 283.03 318.99 324.93 333.64 348.01 377.64 383.68 410.72 427.89 466.30 476.44 486.00 513.29 553.23 573.82 606.15 615.37 631.78 652.04 666.74 675.54 698.38 703.20 774.62 782.79 807.51 854.62 864.71 871.89 885.84 927.56 989.20 1001.06 1011.09 1037.90 1064.31 1140.20 1156.46 1172.22 1177.24 1194.60 1232.99 1233.87 1251.43 1267.59 1300.42 1317.64 1336.78 1340.18 1364.89 1369.49 1379.93 1423.64 1467.19 1480.29 1518.86 1518.99 1559.23 1570.91 1584.56 1584.92 1589.21 1597.27 1618.84 1672.36 1676.00 1681.09 1707.49 1724.64 1733.26 1749.40 1774.59 1783.96 1817.70 1829.94 1859.18 1860.03 1871.30 1876.21 1882.77 1917.80 1929.86 1934.11 1982.97 2015.02 2028.29 2051.71 2069.38 2077.23 2084.50 2091.50 2109.55 2158.83 2193.34 2205.25 2219.42 2253.87 2261.44 2265.34 2269.67 2276.25 2281.22 2304.73 2321.82 2333.87 2344.95 2347.49 2352.49 2354.97 2358.74 2372.36 2375.54 2376.80 2383.29 2384.22 2388.00 2404.54 2420.01 2445.01 2531.38 2539.21 2589.11 2592.24 2693.50 2888.09 4629.89 4633.24 4635.96 4648.04 4720.07 4723.08 4724.83 4727.92 4733.96 4737.87 4748.05 4757.42 4760.54 4764.94 4811.10 4812.65 4820.29 4830.16 4852.96 4854.50 4864.75 4884.41 4890.87 4909.97 4943.19 4954.16 5304.07 0.515074 0.544924 0.545868 0.448319 -2160.245697 -2160.215846 -2160.214902 -2160.312452 3.271843D-04 MUNgauss RevisionA2.1 retrievium 05-Feb-2021 DUDE CC[NH+](CC)CCN(c1nc2ccc(cc2s1)[N+](=O)[O-])C(=O)CSc3ccc(cc3)OC C10022528 RHF 6-31G(d) (6D,10F) C1 475.147374 |X|Y|Z| 144.517626 67.549836 24.775257 62.304741 19 6 7 16 15 2 2 |36.858105| |12.529661|36.858105| |7.563398|12.563375|53.358707| |7.546188|9.283088|25.702012|0.500000| |5.919737|7.601928|17.165716|0.259067|36.858105| |4.402071|4.979733|10.284435|0.207619|12.525156|36.858105| |5.020748|7.642118|17.228863|0.257801|7.616400|5.970882|36.858105| |4.472371|5.941823|10.333884|0.209992|5.009700|4.471910|12.427564|36.858105| |3.448423|4.396497|6.870669|0.134177|3.850070|3.531080|7.743051|13.103657|53.358707| |3.340547|4.269729|5.968443|0.112894|3.419220|3.019722|6.066238|7.908573|18.578442|36.858105| |3.922436|5.195884|6.538371|0.120300|3.630375|3.053873|6.138298|7.181723|11.231942|14.886080|53.358707| |3.325472|4.123879|5.012164|0.093311|2.985485|2.545316|4.337534|4.723442|7.381022|8.671423|18.740480|36.858105| |3.371707|4.018804|4.591829|0.085579|2.806282|2.364520|3.677125|3.804305|5.451544|5.400202|10.522044|13.672901|36.858105| |2.753086|3.142772|3.705192|0.070035|2.355472|2.031362|2.934502|3.020828|4.397636|4.170045|7.032503|7.992211|13.858403|36.858105| |2.371173|2.701345|3.326305|0.063391|2.141001|1.887556|2.700530|2.823096|4.288926|4.095415|6.304984|6.967633|7.965170|13.664123|36.858105| |2.343296|2.715586|3.454957|0.065974|2.206343|1.966908|2.910281|3.117560|5.007218|5.007710|7.140836|7.864241|6.756830|7.825408|13.834252|36.858105| |2.702166|3.240100|4.157848|0.078780|2.572292|2.270549|3.648342|4.025544|6.812602|7.861161|11.111197|13.707504|7.891707|6.905180|8.100409|13.757063|36.858105| |2.583626|3.113765|4.286780|0.082346|2.649630|2.412484|3.995353|4.672423|9.315255|10.886966|10.009535|7.390060|4.865053|4.242969|4.716871|6.742507|10.896730|388.023441| |2.037030|2.262403|2.813030|0.054075|1.852719|1.655732|2.243147|2.322434|3.476204|3.141722|4.654590|4.543846|5.126683|7.762974|13.061519|7.819723|5.164358|25.752709|53.358707| |2.003132|2.189319|2.686570|0.051711|1.784060|1.589682|2.097324|2.145990|3.131869|2.764248|4.164220|3.927282|4.698299|7.105405|8.395233|5.445163|4.123261|21.560762|21.748041|73.516695| |1.848873|2.048666|2.600286|0.050252|1.725710|1.562938|2.090738|2.176869|3.305127|2.943860|4.186055|3.915226|4.088749|5.416385|8.393328|7.141507|4.705033|25.215372|21.745794|15.998942|73.516695| |2.818992|3.406719|5.404214|0.108601|3.291616|3.213654|5.561791|7.583993|18.519544|7.819778|7.220239|4.115168|3.196050|2.727299|2.753019|3.249924|4.161356|43.515502|3.139448|3.686153|3.997661|36.858105| |2.454099|2.912698|4.427811|0.088118|2.791066|2.716115|4.303225|5.318657|11.554099|6.991387|6.482113|4.009720|3.102639|2.728691|2.851971|3.477625|4.384581|51.019185|3.276454|3.790830|4.251702|16.055917|73.516695| |2.726380|3.190115|5.316554|0.111555|3.360304|3.515127|5.150963|6.559958|10.390492|5.015584|5.398974|3.184750|2.627380|2.278086|2.270742|2.585931|3.142290|29.264022|2.659312|3.179484|3.391540|12.560576|14.273758|36.858105| |2.170651|2.466343|3.946930|0.081833|2.654582|2.827674|3.561923|4.054824|6.392278|3.685445|4.103341|2.591329|2.191368|1.966998|2.003701|2.284031|2.661094|24.553241|2.406730|2.877078|3.126181|6.944892|11.777577|10.462798|388.023441| |2.098107|2.320217|3.767385|0.080070|2.619906|2.939258|3.208960|3.510548|4.968971|2.929477|3.447302|2.191280|1.910651|1.720956|1.727054|1.917855|2.193709|19.012710|2.099377|2.546632|2.712143|4.626434|7.452659|6.976628|75.984763|36.858105| |2.070697|2.288894|3.763705|0.079190|2.728196|3.167200|3.148301|3.236634|4.441577|2.669289|3.213196|2.053265|1.813471|1.636605|1.632458|1.793720|2.036524|17.225578|1.993502|2.432899|2.568398|3.907150|6.295156|5.427490|48.906925|13.640840|36.858105| |1.947147|2.102972|3.421152|0.072803|2.533264|3.002515|2.739025|2.780213|3.706614|2.284937|2.818932|1.821722|1.636650|1.485743|1.474275|1.599656|1.794293|14.779320|1.815501|2.232860|2.335837|3.110913|5.054971|4.066467|33.418976|7.904403|13.854235|36.858105| |1.857368|1.969010|3.148444|0.068052|2.294938|2.681449|2.474521|2.579224|3.420261|2.128543|2.642526|1.717874|1.552215|1.414332|1.403119|1.516945|1.692268|13.837935|1.734971|2.138957|2.233892|2.844201|4.650592|3.664421|29.609668|6.821144|7.929128|13.642033|36.858105| |1.873947|1.985349|3.144685|0.068471|2.225826|2.535125|2.498612|2.705271|3.636258|2.249237|2.763034|1.793273|1.609333|1.465613|1.459822|1.587569|1.776447|14.689844|1.801176|2.212341|2.323794|3.081625|5.053654|4.036222|33.364836|7.882954|6.870113|7.917515|13.724775|36.858105| |1.985875|2.143047|3.411282|0.073840|2.359085|2.637120|2.804629|3.128108|4.334302|2.618870|3.137289|2.016235|1.779147|1.611975|1.615085|1.779400|2.014015|17.120238|1.976966|2.409121|2.555437|3.863568|6.313118|5.384645|49.091795|13.756335|7.967623|6.894539|7.938539|13.721711|36.858105| |1.730889|1.807398|2.853642|0.061677|2.113373|2.475169|2.188614|2.246822|2.948985|1.872208|2.361594|1.550722|1.418653|1.299837|1.285595|1.377377|1.522284|12.224284|1.600412|1.984558|2.059086|2.387740|3.936848|2.944562|22.921458|4.614682|5.313100|8.225104|14.234659|7.888178|5.210775|73.516695| |1.615295|1.664965|2.582936|0.056073|1.894053|2.176494|1.961210|2.038662|2.679528|1.722991|2.186496|1.447352|1.332079|1.226765|1.214135|1.295978|1.422942|11.336599|1.518955|1.888222|1.956612|2.150348|3.577628|2.590813|19.945275|3.780077|3.987479|5.256579|8.007442|6.710217|4.509126|24.104138|36.858105| |17.552247|8.792565|9.261730|0.218954|5.136529|4.193300|4.793864|4.664387|4.792720|3.336136|5.213017|3.212473|3.193544|2.625447|2.291666|2.287421|2.645192|18.302573|2.685753|3.433240|3.204404|2.895754|4.444828|2.840768|15.923316|2.180722|2.125962|2.005538|1.937095|1.974769|2.091901|3.203816|1.692312|0.500000| |17.590278|8.947714|7.534494|0.149002|4.606826|3.562312|4.166606|3.834191|4.246902|3.145413|5.140601|3.351217|3.562224|2.924893|2.463773|2.379478|2.698707|17.759772|2.891738|3.762784|3.390791|2.568371|4.058633|2.441572|14.103630|1.901453|1.869371|1.760696|1.687197|1.707968|1.808762|2.807597|1.484300|0.302807|0.500000| |17.587100|8.719596|9.208155|0.188824|6.366753|4.777668|4.462946|3.849480|4.134260|2.902214|4.485999|2.851324|2.886130|2.425808|2.121546|2.098517|2.384284|16.410997|2.520931|3.250840|3.011825|2.564563|3.995299|2.537944|14.651262|2.029248|2.034754|1.938088|1.845075|1.838133|1.922337|3.087181|1.617756|0.300188|0.303003|0.500000| |8.767484|17.623212|12.405725|0.183522|7.472789|4.708643|6.600468|4.884905|5.356398|3.955452|6.547205|4.030117|4.045852|3.206754|2.737114|2.715924|3.188080|21.334501|3.135860|3.989087|3.692846|3.129721|4.871895|2.906991|16.463121|2.170934|2.169235|1.995834|1.853484|1.851560|1.990772|3.040365|1.571864|0.172142|0.212031|0.207990|0.500000| |8.821209|17.667599|12.330351|0.208878|5.639464|4.133251|7.657725|6.853158|6.973788|5.247089|9.545120|5.231192|5.005194|3.693103|3.115762|3.144180|3.868413|25.800230|3.455936|4.326275|4.048326|3.756643|5.708928|3.361316|18.217250|2.347925|2.270655|2.062628|1.941093|1.985052|2.172025|3.144395|1.636849|0.211141|0.213828|0.172049|0.302993|0.500000| |6.835883|7.549044|12.369867|0.213027|17.661302|8.868756|5.632227|4.152491|4.466039|3.016149|4.458120|2.776996|2.694200|2.281919|2.051400|2.077831|2.382433|17.015934|2.437713|3.100711|2.951363|2.824868|4.348883|2.861422|16.502408|2.306876|2.392123|2.263236|2.084443|2.024335|2.118377|3.465956|1.769714|0.154605|0.145875|0.234652|0.214827|0.148449|0.500000| |4.929748|6.646272|12.408792|0.183119|17.624041|8.760970|7.389192|4.675086|5.210048|3.487777|5.032780|3.085044|2.894895|2.440003|2.225766|2.296893|2.673204|19.495529|2.618747|3.286020|3.186639|3.288487|5.040524|3.269459|18.737546|2.547994|2.672808|2.453210|2.193843|2.120096|2.261612|3.584908|1.801314|0.117458|0.114269|0.142517|0.208246|0.146025|0.302410|0.500000| |3.793023|4.434533|9.160746|0.184335|8.718468|17.591542|6.422617|4.846706|5.310747|3.217844|4.275705|2.593069|2.355906|2.028540|1.911053|2.021701|2.351078|18.286536|2.276881|2.830816|2.827025|3.662925|5.416823|4.164615|23.525818|3.468651|3.820717|3.527668|3.048532|2.856145|3.012467|4.884838|2.364235|0.102619|0.087531|0.108991|0.116296|0.108113|0.172525|0.208031|0.500000| |4.541638|4.735421|9.277018|0.218583|8.792973|17.554874|5.209792|4.303694|4.552538|2.852671|3.933917|2.417073|2.258440|1.945864|1.806097|1.876151|2.156907|16.263978|2.164357|2.721844|2.669381|3.060293|4.594684|3.407065|19.473539|2.912683|3.092598|2.999707|2.755115|2.621637|2.687482|4.562706|2.280362|0.126320|0.100621|0.138941|0.118663|0.110320|0.212059|0.172100|0.300179|0.500000| |3.797978|4.146000|7.535634|0.148560|8.947067|17.590900|4.621706|3.597772|4.072876|2.630880|3.627106|2.283538|2.150842|1.877438|1.750997|1.813095|2.060368|15.426755|2.114080|2.664496|2.613778|2.780647|4.290000|3.018700|18.090507|2.672124|2.939557|2.851254|2.536786|2.356128|2.409484|4.247719|2.099945|0.099064|0.088489|0.117773|0.114333|0.096819|0.215404|0.211731|0.303122|0.302708|0.500000| |4.138614|5.639937|12.313546|0.208064|7.569824|6.891612|17.660930|8.806035|9.129636|5.089959|6.539718|3.644840|3.121628|2.585373|2.433636|2.640918|3.233184|26.024298|2.803950|3.422983|3.459621|5.607809|7.708802|5.668187|28.092611|3.618243|3.665153|3.129843|2.743360|2.718245|3.056059|4.268911|2.110476|0.110712|0.096884|0.108097|0.145225|0.149709|0.148559|0.213628|0.237123|0.156337|0.146336|0.500000| |4.738780|7.528256|12.411987|0.183435|6.523043|4.891523|17.677653|8.795447|9.874591|6.713075|9.922946|5.115827|4.281914|3.340563|3.042162|3.273872|4.170406|31.232891|3.380492|4.110328|4.077422|5.143481|7.519904|4.418935|23.124415|2.861401|2.814596|2.455912|2.219998|2.238631|2.506109|3.520426|1.785439|0.120196|0.114929|0.116230|0.204836|0.222860|0.143191|0.200292|0.141871|0.117492|0.112862|0.301626|0.500000| |5.115343|6.641043|9.757288|0.205792|4.608249|3.979690|8.794436|17.664153|12.590779|7.560033|10.997599|5.195181|4.264249|3.289963|2.994441|3.241262|4.187085|32.136430|3.319809|4.031552|4.009600|5.820445|8.010264|5.021123|24.235868|3.013413|2.777021|2.449864|2.321783|2.449229|2.781765|3.655411|1.897109|0.153680|0.123173|0.115728|0.142964|0.238729|0.112208|0.117470|0.113485|0.109713|0.090717|0.173698|0.203440|0.500000| |4.105905|4.983954|9.044740|0.208902|4.750546|4.652480|8.836727|17.664454|12.482576|5.798781|7.054108|3.778136|3.159967|2.601632|2.462888|2.705321|3.364651|28.084410|2.823579|3.428149|3.493910|7.289453|8.956657|7.825474|31.940256|4.060037|3.670953|3.147218|2.945553|3.127410|3.649732|4.496279|2.284066|0.123639|0.096819|0.101451|0.114658|0.148271|0.109980|0.118689|0.143999|0.129955|0.102639|0.218917|0.173879|0.303956|0.500000| |3.968736|4.700665|5.018149|0.092973|3.036255|2.501266|3.820633|3.848407|5.172501|4.792937|9.465340|8.876228|17.744189|8.929849|5.648520|4.893491|5.623429|28.709152|5.654994|7.175775|6.035933|3.009847|5.064369|2.545951|14.968236|1.870557|1.788535|1.627095|1.545631|1.595137|1.748824|2.523522|1.333579|0.102158|0.120686|0.092247|0.132149|0.166009|0.082485|0.086137|0.067996|0.066633|0.063074|0.088540|0.122781|0.123012|0.088965|0.500000| |2.645829|2.933735|3.419576|0.064946|2.211582|1.909635|2.631063|2.668360|3.782992|3.424176|5.651980|5.658639|8.920411|17.792082|8.928951|5.623093|4.975299|24.364203|9.818275|14.316640|8.857112|2.382942|4.215159|2.039844|12.650365|1.580308|1.512313|1.385253|1.322972|1.365913|1.489070|2.176304|1.159363|0.069705|0.079607|0.065346|0.083989|0.093512|0.060434|0.063456|0.052487|0.051020|0.049442|0.064929|0.082151|0.080734|0.064894|0.213547|0.500000| |2.085764|2.386424|3.098213|0.059644|2.009946|1.821878|2.607645|2.795307|4.524559|4.303054|5.770160|5.594638|4.896603|5.602994|8.935722|17.781245|8.818415|43.910653|9.818676|8.858122|14.305350|3.073897|6.028205|2.469925|15.973696|1.876096|1.750164|1.560371|1.481876|1.553936|1.743632|2.392467|1.268787|0.056875|0.058483|0.052515|0.066253|0.075229|0.052540|0.058114|0.052329|0.048345|0.046937|0.067126|0.080145|0.079335|0.068823|0.106600|0.124203|0.500000| |2.786829|3.167868|5.214571|0.114250|3.236638|3.406589|4.746720|6.456746|9.162420|4.609552|5.154789|3.051114|2.554595|2.214200|2.189812|2.464376|2.969190|26.699558|2.573943|3.095544|3.271912|8.931010|11.246185|17.564274|56.130027|6.533290|4.926445|3.930890|3.746686|4.312055|5.773983|5.367780|2.709721|0.082769|0.069137|0.071710|0.078492|0.093014|0.077930|0.085028|0.109016|0.095238|0.080819|0.137674|0.111197|0.145517|0.239378|0.069436|0.055405|0.065180|0.500000| |2.934266|3.484995|6.159305|0.128505|3.972742|4.302376|6.114799|6.961507|9.509516|4.672672|5.278360|3.085678|2.588217|2.230096|2.191399|2.454629|2.966356|26.387479|2.570445|3.098849|3.255328|8.850272|10.837479|17.596636|56.296256|6.703508|5.972639|4.441624|3.823845|3.986773|5.009435|5.486053|2.653105|0.084018|0.071708|0.076836|0.088395|0.099008|0.091034|0.106960|0.149886|0.113287|0.100341|0.207811|0.138206|0.141094|0.236516|0.070753|0.055853|0.064593|0.302191|0.500000| |2.102839|2.362179|3.907347|0.080376|2.878838|3.327005|3.329988|3.301749|4.586458|2.770453|3.327819|2.127078|1.873488|1.689664|1.687213|1.857751|2.112973|17.910249|2.056537|2.505834|2.649264|4.018615|6.517000|5.339199|46.698838|8.891488|17.718660|8.974985|5.645080|4.951010|5.659105|7.631703|3.333713|0.059155|0.052754|0.057500|0.062980|0.064859|0.069326|0.080053|0.113698|0.087370|0.086517|0.110698|0.083712|0.077730|0.101083|0.051211|0.043288|0.050329|0.126556|0.171189|0.500000| 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