Version2.1 2021-01-14T16:32:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCn1c(nnc1SCC(=O)Nc2c(c(c(s2)C)C)C(=O)N)[C@H](C)Oc3ccccc3Cl C39967380 RHF 6-31G(d) (6D,7F) CCn1c(nnc1SCC(=O)Nc2c(c(c(s2)C)C)C(=O)N)[C@H](C)Oc3ccccc3Cl C01[X(C21H24Cl1N5O3S2)] 162 C1 540 CCn1c(SCC(=O)Nc2sc(c(c2C(=O)N)C)C)nnc1[C@@H](Oc1ccccc1Cl)C CCn1c(SCC(=O)Nc2sc(c(c2C(=O)N)C)C)nnc1[C@@H](Oc1ccccc1Cl)C CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(N)=O)nnc1[C@H](C)Oc3ccccc3Cl InChIKey=SHSBDUMYBOBLPR-LBPRGKRZSA-N InChI=1S/C21H24ClN5O3S2/c1-5-27-19(12(3)30-15-9-7-6-8-14(15)22)25-26-21(27)31-10-16(28)24-20-17(18(23)29)11(2)13(4)32-20/h6-9,12H,5,10H2,1-4H3,(H2,23,29)(H,24,28)/t12-/m0/s1 InChI=1/C21H24ClN5O3S2/c1-5-27-19(12(3)30-15-9-7-6-8-14(15)22)25-26-21(27)31-10-16(28)24-20-17(18(23)29)11(2)13(4)32-20/h6-9,12H,5,10H2,1-4H3,(H2,23,29)(H,24,28)/t12-/m0/s1/f/h24H,23H2 CCn1c(nnc1SCC(=O)Nc2c(c(c(s2)C)C)C(=O)N)[C@H](C)Oc3ccccc3Cl C01[X(C21H24Cl1N5O3S2)] 162 C01 540 CCn1c(SCC(=O)Nc2sc(c(c2C(=O)N)C)C)nnc1[C@@H](Oc1ccccc1Cl)C CCN1[C]([N][N]=C1[C@@H](O[C]1[CH][CH][CH][CH][C]1Cl)C)SCC(=O)N[C]1SC(=[C]([C]=1C(=O)N)C)C CCN1[C]([N]N=C1[C@H](C)O[C]2[CH][CH][CH][CH][C]2Cl)SCC(=O)Nc3sc(C)c(C)c3C(N)=O InChIKey=SHSBDUMYBOBLPR-LBPRGKRZSA-N InChI=1S/C21H24ClN5O3S2/c1-5-27-19(12(3)30-15-9-7-6-8-14(15)22)25-26-21(27)31-10-16(28)24-20-17(18(23)29)11(2)13(4)32-20/h6-9,12H,5,10H2,1-4H3,(H2,23,29)(H,24,28)/t12-/m0/s1 InChI=1/C21H24ClN5O3S2/c1-5-27-19(12(3)30-15-9-7-6-8-14(15)22)25-26-21(27)31-10-16(28)24-20-17(18(23)29)11(2)13(4)32-20/h6-9,12H,5,10H2,1-4H3,(H2,23,29)(H,24,28)/t12-/m0/s1/f/h24H,23H2 3529.7966756602 -2560.5391903 1-A 32209.8997 129 411 540 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.82639 -91.97403 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0.4505 0.7603 0.7768 0.8424 0.8328 0.8240 0.5987 0.6141 0.6279 0.3839 0.7267 0.4849 0.5390 0.6321 0.4489 0.4961 0.7491 0.8564 0.8450 0.7690 0.7663 0.6424 0.2844 0.4545 0.4018 0.4212 0.8552 0.7606 0.7856 0.7742 0.8340 0.3074 0.1351 0.0603 0.0654 0.4423 0.0408 0.8540 0.0444 0.6866 0.2795 0.7741 0.8384 0.7589 0.8571 0.8513 0.7922 0.8453 0.5570 0.8209 0.6756 0.2951 0.2226 0.2122 0.2400 0.7897 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 6 6 7 6 7 7 6 16 6 6 8 7 6 6 6 6 16 6 6 6 8 7 6 1 6 8 6 6 6 6 6 6 17 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 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 5637.0099 55859.2702 57566.5779 0.99998 0.00172 0.00562 -0.00168 0.99998 -0.00653 -0.00563 0.00652 0.99996 1 0.01537 0.00155 0.00150 0.32016 0.03231 0.03135 10.06 17.30 28.68 34.37 40.14 44.59 54.67 70.41 90.94 100.11 114.40 123.17 129.95 143.84 154.85 165.64 179.46 223.66 233.88 241.22 272.69 289.83 305.59 317.98 334.64 350.80 354.32 379.48 408.93 429.14 444.50 477.00 491.73 500.47 527.38 563.35 573.78 614.05 617.10 631.33 663.94 694.99 720.79 761.47 766.28 799.45 824.93 872.31 876.03 883.44 906.01 916.82 924.49 955.33 985.83 1039.94 1063.82 1086.37 1109.25 1125.78 1131.49 1142.90 1155.22 1159.77 1220.01 1227.04 1245.11 1277.14 1295.02 1297.42 1341.74 1395.52 1460.14 1464.16 1465.33 1502.10 1541.59 1565.03 1578.98 1598.22 1641.83 1643.75 1657.31 1660.34 1695.06 1695.61 1728.57 1738.61 1739.70 1748.28 1762.47 1764.92 1783.32 1809.69 1811.06 1831.38 1874.16 1874.34 1903.72 1939.23 1979.44 2014.12 2018.27 2058.50 2061.38 2140.39 2145.03 2175.78 2198.52 2223.89 2226.00 2253.17 2255.85 2262.56 2274.71 2290.50 2300.22 2318.65 2339.15 2346.31 2346.77 2349.90 2350.77 2351.42 2358.98 2360.73 2366.21 2391.40 2394.76 2428.87 2525.81 2548.33 2561.42 2582.17 2584.81 2595.52 2847.09 2856.39 4615.05 4624.71 4644.34 4647.63 4664.15 4684.47 4701.76 4704.57 4727.77 4730.11 4732.96 4757.53 4763.90 4776.77 4781.11 4791.84 4825.79 4850.64 4875.29 4897.19 4912.69 5436.45 5508.91 5595.73 0.469266 0.500689 0.501633 0.399227 -2560.069924 -2560.038502 -2560.037557 -2560.139964 3.434748D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CCn1c(nnc1SCC(=O)Nc2c(c(c(s2)C)C)C(=O)N)[C@H](C)Oc3ccccc3Cl C39967380 RHF 6-31G(d) (6D,10F) C1 493.100911 |X|Y|Z| 169.742881 34.855141 46.715430 65.138775 22 6 7 8 16 15 4 1 2 |36.858105| |12.489474|36.858105| |7.659437|13.040953|53.358707| |5.567152|7.451795|18.959892|36.858105| |4.323301|5.296804|11.919810|14.883803|53.358707| |4.350700|5.304978|11.897671|8.910829|19.046023|53.358707| |5.685674|7.540600|19.116062|8.920727|12.178093|20.178609|36.858105| |5.040251|5.929692|9.455358|4.955596|6.734338|9.524399|10.824995|388.023441| |3.495329|3.929137|6.481216|4.042277|6.164665|9.101901|7.113008|74.780359|36.858105| |2.977610|3.211568|4.877826|3.091023|4.534660|5.945655|4.688487|49.780664|12.563274|36.858105| |3.033975|3.209557|4.625154|2.868213|4.050332|5.100828|4.226258|47.279958|7.966840|15.957341|73.516695| |2.488878|2.659645|4.052146|2.691511|4.029834|5.095237|3.751690|34.082087|7.934978|13.974674|15.009929|53.358707| |2.159089|2.270245|3.357930|2.253675|3.312879|4.001230|2.966334|26.143439|5.080024|7.741742|11.852568|18.620222|36.858105| |1.892656|1.982980|2.934734|2.016271|2.980722|3.508142|2.538971|21.134750|3.939929|5.124536|8.034989|10.586926|14.016738|36.858105| |1.711433|1.776794|2.576867|1.770134|2.574040|2.964543|2.175478|18.025527|3.133506|3.972247|6.763478|7.031296|8.122818|13.078135|36.858105| |1.765641|1.823427|2.602904|1.762740|2.526889|2.911459|2.184539|18.583842|3.122191|4.089277|7.457100|6.724198|7.660681|8.199452|14.172416|36.858105| |2.095903|2.173290|3.099169|2.048872|2.923931|3.453049|2.653988|23.968216|4.086198|6.038278|11.940192|9.453764|11.013158|7.430602|7.401313|10.914579|388.023441| |1.617684|1.656854|2.326960|1.578131|2.234479|2.530992|1.913499|16.083953|2.571901|3.220015|6.069512|4.917575|4.832453|5.013282|7.365326|12.664063|48.730312|36.858105| |1.515215|1.568378|2.270393|1.582037|2.300393|2.598969|1.887201|15.152223|2.567011|3.061769|5.207016|5.160106|5.061652|7.335275|12.633523|7.505831|33.472414|5.956720|36.858105| |1.813413|1.910023|2.875086|2.020970|3.044122|3.550822|2.485252|19.701208|3.714540|4.345922|6.552348|8.582335|7.550552|12.795304|7.377579|5.113882|33.757731|3.708130|6.218163|36.858105| |1.649836|1.742792|2.609147|1.853748|2.781937|3.177251|2.216160|17.185651|3.113130|3.505991|5.450348|6.345318|5.388545|8.052245|6.329487|4.448919|27.809175|3.430727|6.422507|15.933919|73.516695| |1.947479|2.046619|3.143579|2.231927|3.432388|4.052606|2.760642|21.387733|4.184353|4.605824|6.639759|8.977756|6.434049|7.829902|5.112699|4.039178|29.263148|3.084749|4.419912|13.768184|15.073320|53.358707| |4.952446|6.033056|10.174985|12.662412|10.511994|7.207185|5.288864|25.831373|3.065485|2.488839|4.189174|3.021359|1.913296|1.740067|1.553160|1.548359|12.569189|1.405502|1.406978|1.748813|2.890168|2.599894|36.858105| |5.675261|6.146817|9.187588|9.024484|8.244728|6.258580|4.791875|24.673005|2.877767|2.380965|4.063136|2.882350|1.840402|1.672504|1.502463|1.505508|12.221274|1.374191|1.362017|1.669935|2.753831|2.478722|17.560536|0.500000| |3.611978|4.103127|6.801121|7.615737|9.226250|6.232832|4.157782|21.416151|2.728698|2.245904|3.733867|2.805276|1.791207|1.656758|1.479063|1.458448|11.641986|1.324035|1.354832|1.693185|2.823417|2.532240|12.513589|0.245428|36.858105| |4.587673|6.022011|8.753336|8.152620|7.688369|5.983040|4.618752|24.216902|2.844261|2.359578|4.027477|2.860949|1.830539|1.665148|1.498908|1.502720|12.183069|1.373038|1.359602|1.662458|2.766679|2.431848|13.451519|0.258717|7.845535|73.516695| |4.035892|4.820430|6.301802|5.289889|5.548150|4.584226|3.549577|20.100707|2.392083|2.048615|3.545930|2.508325|1.633021|1.496418|1.363136|1.371419|11.014638|1.266124|1.245231|1.489901|2.495302|2.160779|7.872370|0.202818|6.025988|25.158615|36.858105| |3.771326|4.075425|5.296056|4.429667|4.835153|4.028612|3.079313|17.839352|2.151654|1.867057|3.242675|2.304561|1.512749|1.394353|1.276516|1.283726|10.238228|1.190811|1.172239|1.390267|2.330955|2.020356|6.563057|0.199992|5.631244|13.956053|13.724824|36.858105| |3.151738|3.304450|4.201523|3.361580|3.844779|3.324202|2.543519|15.369572|1.877161|1.662140|2.910360|2.066881|1.373406|1.272911|1.175734|1.185249|9.381516|1.108141|1.085578|1.266495|2.134543|1.826385|4.442300|0.132955|4.075195|9.221479|7.907840|13.730393|36.858105| |2.856321|3.066889|3.848589|2.996471|3.479144|3.074322|2.367578|14.624051|1.791730|1.601748|2.818778|1.994739|1.332789|1.236537|1.147419|1.159635|9.159578|1.088441|1.060778|1.226804|2.075804|1.754972|3.741385|0.106703|3.424653|8.180572|6.811805|7.918728|13.806074|36.858105| |2.966808|3.350347|4.187102|3.225120|3.717671|3.300144|2.561931|15.791341|1.923041|1.711555|3.010489|2.121890|1.412453|1.305674|1.208768|1.222748|9.700512|1.144788|1.113648|1.293242|2.188683|1.844057|3.943597|0.107177|3.508714|9.385850|7.889647|6.889848|7.986323|13.740787|36.858105| |3.463725|4.159698|5.261708|4.124839|4.583510|3.981857|3.109235|18.496535|2.220086|1.936903|3.381430|2.380325|1.564710|1.437124|1.318620|1.331316|10.653114|1.236290|1.207377|1.425198|2.400906|2.043232|5.201013|0.134050|4.355499|14.523280|13.642599|7.965529|6.914070|7.940397|13.812680|36.858105| |3.256150|4.139889|5.339650|4.011114|4.613304|4.158463|3.272494|19.862558|2.395652|2.090715|3.646440|2.562008|1.680024|1.537387|1.408041|1.423154|11.435230|1.317714|1.284151|1.520484|2.567095|2.162080|4.456402|0.109376|3.775870|11.763315|7.005849|4.764132|4.238938|4.771345|7.066995|10.955056|448.794386| |17.559036|8.865469|7.599475|4.364952|4.783752|4.807612|4.433110|30.121278|3.046158|2.696574|4.988558|3.097103|2.011832|1.771343|1.622567|1.686796|14.162687|1.563753|1.442043|1.686414|2.743334|2.435203|4.131536|0.130380|3.135336|7.236067|3.806574|3.612944|3.141478|2.900826|2.999332|3.400255|25.528967|0.500000| |17.561271|8.785319|9.360085|5.784885|6.029361|5.714311|5.084380|30.059923|3.160330|2.687527|4.780425|3.133749|2.007243|1.783559|1.613564|1.650375|13.716658|1.514169|1.441635|1.729732|2.810200|2.546709|5.574776|0.196934|4.030560|8.569292|4.305559|4.237475|3.458633|3.013520|3.038321|3.523612|25.315653|0.301281|0.500000| |17.579108|8.785409|9.375467|4.999261|5.698925|6.108385|5.958742|41.437594|3.905561|3.345324|6.125399|3.734875|2.363959|2.047555|1.843425|1.910366|16.351342|1.741035|1.617869|1.944205|3.111951|2.855005|4.212890|0.129475|3.251801|6.778124|3.341602|3.150873|2.689183|2.460169|2.547769|2.927938|22.706418|0.301227|0.301208|0.500000| |8.805075|17.681441|12.590926|7.030261|6.632064|6.172337|5.757405|32.456090|3.319399|2.773994|4.912938|3.211913|2.045119|1.812287|1.636709|1.674085|13.957766|1.532745|1.459490|1.758721|2.884184|2.550134|6.748877|0.189338|4.399033|13.925981|6.338302|5.007751|3.950835|3.683419|4.130374|5.386990|41.429192|0.212322|0.209923|0.172678|0.500000| |8.827617|17.613908|12.573698|5.737129|6.191199|6.654433|7.084931|48.015617|4.195013|3.499403|6.378629|3.854585|2.418519|2.085566|1.873412|1.942214|16.709439|1.765179|1.639643|1.980702|3.206052|2.852878|4.665369|0.127602|3.440847|8.689464|4.077467|3.442433|2.910332|2.793637|3.103305|3.773878|32.280967|0.213008|0.172795|0.210489|0.305052|0.500000| |3.410396|3.700381|6.264946|4.102600|6.543773|9.820937|6.792011|56.428860|17.620567|8.867894|10.933843|9.711275|4.737428|3.845331|3.034290|2.957293|26.429060|2.441760|2.527533|3.774458|5.577509|6.155276|3.107390|0.081580|2.823335|4.961461|2.347684|2.143566|1.863306|1.758566|1.865522|2.145357|18.172442|0.081561|0.088248|0.106716|0.087396|0.104775|0.500000| |3.206538|3.742444|6.286746|4.084478|6.407008|9.362081|6.699027|56.394048|17.609745|8.874244|10.976644|9.649048|4.742602|3.844128|3.050711|2.982658|26.711318|2.463708|2.537431|3.760074|5.730675|5.705307|3.103148|0.078895|2.804158|5.202305|2.440507|2.165231|1.887321|1.813787|1.966077|2.285083|20.221866|0.078337|0.081463|0.095669|0.090561|0.110868|0.303568|0.500000| |2.415630|2.601472|4.060009|2.767862|4.259642|5.406812|3.783814|31.848605|7.680007|9.358168|10.847223|25.986910|9.391568|7.275349|4.727074|4.250943|37.416358|3.196812|3.673949|7.184574|9.249641|11.698456|2.275075|0.059755|2.144791|3.798151|1.862424|1.710647|1.528590|1.470805|1.563470|1.758959|15.176910|0.060889|0.062909|0.073179|0.064629|0.075664|0.211786|0.210275|0.500000| |1.622440|1.670456|2.326686|1.570391|2.208062|2.494583|1.902229|16.071174|2.522210|3.141883|6.045945|4.648609|4.388018|4.338515|5.758830|8.868194|45.465091|17.550415|4.772205|3.307369|5.509331|3.803071|1.401683|0.038028|1.314671|2.453533|1.275595|1.195742|1.115226|1.100413|1.161448|1.252949|10.784621|0.043811|0.041973|0.048285|0.043047|0.049817|0.065474|0.067608|0.083658|0.500000| |1.625121|1.644585|2.295438|1.552886|2.188346|2.472060|1.878655|15.823841|2.486079|3.093446|5.931856|4.603707|4.364441|4.371821|5.854493|8.853629|44.112971|17.541595|4.910138|3.330654|5.412268|3.921669|1.386656|0.037892|1.303431|2.400434|1.248624|1.180020|1.099514|1.077448|1.128652|1.215910|10.330308|0.043768|0.042283|0.048845|0.042161|0.048545|0.066158|0.065143|0.082979|0.301989|0.500000| |1.490551|1.527416|2.150460|1.472793|2.090488|2.346840|1.757650|14.473326|2.312640|2.809962|5.171585|4.324493|4.126072|4.564376|6.881450|8.875479|36.457979|17.624803|6.741696|3.575647|6.117479|4.003286|1.320452|0.035831|1.253135|2.294165|1.193882|1.125721|1.050564|1.032735|1.084352|1.167268|9.971940|0.040044|0.039005|0.044291|0.039500|0.044922|0.061638|0.062276|0.080520|0.302746|0.302020|0.500000| |1.471355|1.535945|2.229946|1.562775|2.278099|2.561790|1.849027|14.672050|2.487403|2.907047|4.891135|4.874566|4.574353|6.457962|8.872830|5.935331|29.406966|4.911825|17.606314|6.138172|12.871979|5.829783|1.393199|0.037277|1.347367|2.403709|1.238398|1.162432|1.077287|1.055595|1.111208|1.204962|10.341193|0.038895|0.038933|0.043335|0.039913|0.044602|0.067661|0.069703|0.098683|0.118154|0.112292|0.153447|0.500000| |1.439521|1.481731|2.123201|1.476579|2.128237|2.385895|1.746857|14.034624|2.315343|2.746422|4.793313|4.446114|4.240507|5.462390|8.858121|7.089711|30.836442|6.821655|17.621276|4.618088|8.394117|4.852689|1.322517|0.035709|1.271287|2.280346|1.181809|1.115789|1.037996|1.016384|1.065254|1.149479|9.794742|0.038302|0.038035|0.042643|0.038409|0.043082|0.063084|0.063222|0.086669|0.146623|0.154791|0.250309|0.300918|0.500000| |1.492246|1.536153|2.235141|1.568478|2.292552|2.581447|1.857396|14.722241|2.501154|2.924634|4.907902|4.932170|4.634179|6.668403|8.862216|5.819159|29.234467|4.765781|17.564673|6.435515|11.867377|6.458910|1.397162|0.037636|1.353264|2.384045|1.228108|1.161115|1.074406|1.045841|1.093687|1.185102|10.051929|0.039324|0.039679|0.044316|0.039706|0.044262|0.069830|0.068337|0.100009|0.107961|0.117971|0.145387|0.303879|0.302467|0.500000| |2.029170|2.102047|3.221115|2.271009|3.477867|4.130434|2.838134|22.262368|4.335860|4.843507|7.016720|9.245239|6.535768|7.283801|4.946777|4.062958|30.282697|3.115415|4.183634|9.362243|11.107688|25.965109|1.938079|0.051772|1.877045|3.196170|1.598331|1.502473|1.356582|1.297655|1.357461|1.502818|12.656787|0.051645|0.054198|0.061407|0.053038|0.059590|0.134763|0.114642|0.229316|0.077596|0.082794|0.081482|0.107834|0.096150|0.126559|0.500000| |1.839229|1.932994|2.978979|2.153575|3.335045|3.854877|2.580679|19.313120|3.645310|3.806657|5.620002|6.806035|4.828010|5.759903|4.239811|3.409062|24.139676|2.715160|3.945824|9.544414|14.145121|25.942261|1.861912|0.049197|1.840135|3.088299|1.547450|1.451942|1.314247|1.261375|1.322044|1.461656|12.369454|0.046953|0.049539|0.054562|0.049579|0.054499|0.110598|0.103456|0.174976|0.068870|0.070796|0.073262|0.109230|0.090002|0.120303|0.316548|0.500000| |3.269483|3.609302|5.559473|5.539626|6.676147|4.962497|3.423737|18.601747|2.372781|2.000754|3.363303|2.514892|1.627946|1.514773|1.365240|1.349259|10.689284|1.234442|1.258271|1.545019|2.592400|2.291175|8.852001|0.211267|17.595689|12.591122|6.470524|6.707621|4.792415|3.870740|3.825762|4.605583|30.021752|0.081293|0.101994|0.081135|0.110360|0.085308|0.067720|0.067487|0.053127|0.034108|0.033809|0.032550|0.034787|0.032946|0.034906|0.047139|0.046355|0.500000| |3.236273|3.789676|6.405317|6.985953|9.521021|6.416862|4.117580|21.281026|2.790094|2.284923|3.760031|2.879387|1.833510|1.703031|1.514212|1.484918|11.813353|1.343067|1.389213|1.754281|2.939464|2.622756|8.875808|0.173694|17.625226|12.576959|5.354824|4.688601|3.592058|3.172464|3.357455|4.193462|31.239690|0.078858|0.096410|0.082352|0.111969|0.091494|0.079688|0.081677|0.061708|0.037074|0.036523|0.035379|0.038590|0.036088|0.038492|0.053462|0.053180|0.300626|0.500000| |3.498536|3.789784|6.369264|6.890535|9.338659|6.351418|4.090781|21.197810|2.757613|2.266913|3.743473|2.851680|1.817933|1.687048|1.500876|1.473608|11.732216|1.334143|1.376716|1.734002|2.881846|2.622214|8.847776|0.212924|17.604171|10.084283|4.629201|4.588915|3.510439|2.956859|2.967494|3.532810|25.163877|0.083567|0.110221|0.090025|0.107835|0.088808|0.081259|0.077726|0.060909|0.036594|0.036578|0.035105|0.037913|0.035822|0.038417|0.054347|0.053156|0.300370|0.301627|0.500000| |3.907881|4.048150|5.433344|4.693776|5.142866|4.206462|3.169691|18.099816|2.194939|1.894514|3.274203|2.342710|1.533389|1.414621|1.291153|1.294940|10.323872|1.198193|1.185926|1.414953|2.365426|2.071429|7.254652|0.249749|6.469686|12.479455|8.892986|17.774852|8.966341|5.658924|4.965575|5.648927|31.465468|0.101339|0.127974|0.091512|0.131689|0.093120|0.061618|0.060855|0.048459|0.033274|0.033060|0.031468|0.032583|0.031314|0.032761|0.042993|0.041428|0.220896|0.138149|0.151730|0.500000| |2.905089|2.937979|3.763726|3.000641|3.506175|3.056411|2.322248|14.199026|1.751073|1.561869|2.737773|1.952543|1.303834|1.213068|1.123851|1.132286|8.920123|1.061578|1.041237|1.208207|2.038195|1.743597|3.861444|0.118469|3.672707|7.448106|5.645411|8.954904|17.722804|8.926978|5.662127|4.973810|27.461256|0.080778|0.089730|0.069946|0.094297|0.072244|0.048625|0.048624|0.040116|0.029614|0.029337|0.028007|0.028658|0.027704|0.028700|0.036070|0.034924|0.120453|0.089402|0.091352|0.218004|0.500000| |2.518969|2.652716|3.333886|2.565769|3.042054|2.728175|2.094695|13.189857|1.631968|1.475361|2.605761|1.847489|1.243611|1.158482|1.080847|1.093397|8.588319|1.031353|1.003149|1.148575|1.949461|1.636698|3.098407|0.088682|2.899835|6.495838|4.921589|5.632191|8.905021|17.735825|8.915166|5.651460|31.646609|0.071839|0.073394|0.061227|0.086166|0.068237|0.044517|0.045812|0.037783|0.028986|0.028390|0.027243|0.027735|0.026776|0.027475|0.033610|0.032715|0.090269|0.075440|0.071273|0.124373|0.214085|0.500000| 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