Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1)OC[C@@H](C[NH+](Cc2[nH]c(=O)c3c4c(sc3n2)CCCCC4)C5CCCCC5)O C36313548 RHF 6-31G(d) (6D,7F) COc1ccc(cc1)OC[C@@H](C[NH+](Cc2[nH]c(=O)c3c4c(sc3n2)CCCCC4)C5CCCCC5)O C01[X(C28H38N3O4S1)] 216 C1 620 COc1ccc(cc1)OC[C@@H](C[NH+](C1CCCCC1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)O COc1ccc(cc1)OC[C@@H](C[NH+](C1CCCCC1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)O COc1ccc(OC[C@H](O)C[NH+](CC2=Nc3sc4CCCCCc4c3C(=O)N2)C5CCCCC5)cc1 InChIKey=JXNYTJXTCVKNNO-HXUWFJFHSA-O InChI=1S/C28H37N3O4S/c1-34-21-12-14-22(15-13-21)35-18-20(32)16-31(19-8-4-2-5-9-19)17-25-29-27(33)26-23-10-6-3-7-11-24(23)36-28(26)30-25/h12-15,19-20,32H,2-11,16-18H2,1H3,(H,29,30,33)/p+1/t20-/m1/s1 InChI=1/C28H37N3O4S/c1-34-21-12-14-22(15-13-21)35-18-20(32)16-31(19-8-4-2-5-9-19)17-25-29-27(33)26-23-10-6-3-7-11-24(23)36-28(26)30-25/h12-15,19-20,32H,2-11,16-18H2,1H3,(H,29,30,33)/p+1/t20-/m1/s1/fC28H38N3O4S/h29,31H/q+1 COc1ccc(cc1)OC[C@@H](C[NH+](Cc2[nH]c(=O)c3c4c(sc3n2)CCCCC4)C5CCCCC5)O C01[X(C28H38N3O4S1)] 216 C01 620 COc1ccc(cc1)OC[C@@H](C[NH+](C1CCCCC1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)O COc1ccc(cc1)OC[C@@H](C[NH](C1CCCCC1)CC1=N[C@H]2[C@@H](C(=O)N1)C1=C(S2)CCCCC1)O COc1ccc(OC[C@H](O)C[NH](CC2=N[C@@H]3SC4=C(CCCCC4)[C@@H]3C(=O)N2)C5CCCCC5)cc1 InChIKey=RDCVBCXLGHLPBI-WIJPHRNOSA-N InChI=1S/C28H40N3O4S/c1-34-21-12-14-22(15-13-21)35-18-20(32)16-31(19-8-4-2-5-9-19)17-25-29-27(33)26-23-10-6-3-7-11-24(23)36-28(26)30-25/h12-15,19-20,26,28,31-32H,2-11,16-18H2,1H3,(H,29,30,33)/t20-,26-,28-/m1/s1 InChI=1/C28H40N3O4S/c1-34-21-12-14-22(15-13-21)35-18-20(32)16-31(19-8-4-2-5-9-19)17-25-29-27(33)26-23-10-6-3-7-11-24(23)36-28(26)30-25/h12-15,19-20,26,28,31-32H,2-11,16-18H2,1H3,(H,29,30,33)/t20-,26-,28-/m1/s1/f/h29H 4022.7710352150 -1942.5616525 1-A 29262.6307 137 483 620 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.06472 -20.69401 -20.68857 -20.64852 -20.63925 -15.83177 -15.74658 -15.70376 -11.48274 -11.47286 -11.45282 -11.43101 -11.42124 -11.42017 -11.41265 -11.39967 -11.37140 -11.36257 -11.36175 -11.35680 -11.35103 -11.34387 -11.33798 -11.33741 -11.33421 -11.33074 -11.32609 -11.31269 -11.31096 -11.30672 -11.30319 -11.30023 -11.29514 -11.28941 -11.28437 -11.28101 -9.07523 -6.75777 -6.75667 -6.75507 -1.52738 -1.51987 -1.50118 -1.47867 -1.47764 -1.44513 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1650.7609 1652.3519 1656.0350 1658.6099 1662.0638 1668.3500 1690.8140 1696.3750 1764.2763 1792.4230 1830.9107 1845.4311 1994.2395 3199.0073 3199.1495 3200.8380 3202.0147 3204.9966 3205.6929 3208.9531 3209.5085 3210.4737 3213.5258 3213.6775 3217.6890 3231.8662 3242.4576 3242.6506 3249.6246 3250.3468 3251.4816 3258.8594 3261.3208 3266.4255 3269.2085 3272.6397 3272.8810 3284.6824 3291.7775 3302.3380 3335.7061 3339.2443 3340.1083 3350.1682 3384.8757 3388.5657 3404.7990 3412.2307 3634.7021 3827.8327 4068.2633 5.6999 5.9255 3.5896 5.0968 5.0352 4.8304 3.8329 4.3620 3.9278 3.5544 3.8527 3.6704 3.9807 3.4806 4.9091 4.2300 3.7947 5.2736 4.3670 3.8592 4.0631 4.8089 2.5927 4.5129 2.0209 2.8729 1.1606 2.2678 3.2377 3.2851 3.5998 2.8783 2.2546 4.7112 3.1659 3.7487 5.7412 4.6198 3.7981 2.9376 2.9912 1.6727 2.9571 2.2260 4.9149 3.1133 2.7382 2.5112 2.0867 2.6413 3.7207 4.4479 2.3500 3.8534 4.6037 4.7742 1.7743 4.7239 4.8365 6.1026 4.0324 2.6100 2.8944 3.6598 1.9167 4.9416 2.4138 3.1967 1.4539 6.2855 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2173.90 2176.03 2189.47 2202.72 2204.20 2210.18 2214.85 2224.64 2229.35 2245.82 2249.48 2264.80 2288.62 2304.28 2322.66 2343.96 2346.11 2346.60 2348.79 2350.22 2351.58 2354.12 2359.15 2363.68 2367.79 2371.27 2372.54 2375.08 2377.37 2382.67 2386.37 2391.34 2400.38 2432.70 2440.71 2538.40 2578.90 2634.27 2655.16 2869.27 4602.66 4602.86 4605.29 4606.98 4611.28 4612.28 4616.97 4617.77 4619.16 4623.55 4623.77 4629.54 4649.93 4665.17 4665.45 4675.48 4676.52 4678.16 4688.77 4692.31 4699.66 4703.66 4708.60 4708.95 4725.93 4736.13 4751.33 4799.34 4804.43 4805.67 4820.14 4870.08 4875.39 4898.75 4909.44 5229.53 5507.40 5853.32 0.687265 0.719200 0.720144 0.618971 -1941.874387 -1941.842453 -1941.841509 -1941.942682 3.393359D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE COc1ccc(cc1)OC[C@@H](C[NH+](Cc2[nH]c(=O)c3c4c(sc3n2)CCCCC4)C5CCCCC5)O C36313548 RHF 6-31G(d) (6D,10F) C1 512.258304 |X|Y|Z| 100.587880 132.733047 39.071336 80.499712 32 6 7 8 16 27 3 1 1 |36.858105| |13.597022|73.516695| |8.016850|25.174344|36.858105| |5.254688|14.577233|13.621264|36.858105| |3.986319|9.427811|7.918503|13.896878|36.858105| |3.787776|8.209548|6.844405|7.950682|13.670402|36.858105| |4.497805|9.217634|7.909320|6.893113|7.959852|13.867224|36.858105| |6.709998|13.999295|13.816073|7.958599|6.886811|7.932095|13.629166|36.858105| |2.980240|6.167592|4.588049|5.278105|8.138720|13.888157|7.836540|5.163239|73.516695| |2.691834|5.304688|3.774615|3.981276|5.245882|7.962354|6.688237|4.487915|24.345173|36.858105| |2.235009|4.377380|2.980533|3.220052|4.121102|5.255573|4.402817|3.335073|14.676468|12.524969|36.858105| |2.166450|4.270486|2.886424|3.173562|4.068242|4.937376|4.050904|3.153009|13.309459|8.945309|17.571748|0.500000| |1.997485|3.805743|2.518415|2.624492|3.162178|3.897121|3.590775|2.843988|9.192827|7.559769|12.490273|0.247173|36.858105| |1.747122|3.325041|2.154361|2.269457|2.686445|3.123869|2.853838|2.360364|7.064566|4.957515|7.623121|0.186752|12.607400|53.358707| 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|3.328241|7.606174|5.629576|8.943180|17.732242|8.927515|5.669394|4.960395|13.396886|4.861917|4.155693|0.117504|3.134048|3.723918|0.081161|2.337472|2.376341|2.844545|0.053667|2.003149|3.193851|2.208620|2.110112|2.315690|19.875221|2.552815|3.645677|2.202380|1.871491|1.732860|1.791943|1.834652|2.527805|2.329541|2.129688|1.916702|2.023835|2.189425|7.464140|0.088085|0.088134|0.082127|0.214174|0.500000| |3.914455|7.459866|5.659098|4.965245|5.638044|8.895631|17.747367|8.954283|12.431179|7.383604|4.650254|0.115149|3.970582|4.152051|0.082156|2.634877|2.535728|3.086471|0.060206|2.091973|3.385553|2.160810|1.980858|2.030759|16.611277|2.403388|3.587662|1.854727|1.624899|1.569966|1.692802|1.767066|2.800423|2.356469|2.157707|2.069405|2.351699|2.612879|7.061303|0.113127|0.113138|0.089065|0.107771|0.124147|0.500000| |7.412185|12.463108|8.897691|5.639837|4.963410|5.669540|8.949392|17.766355|7.437505|3.906373|2.981610|0.078029|2.643469|3.002503|0.060328|1.976302|1.933506|2.422659|0.047620|1.686082|2.784619|1.745622|1.649190|1.700824|13.473913|1.895674|2.733922|1.601916|1.424566|1.386117|1.473825|1.505031|2.086004|1.837556|1.730480|1.671326|1.851682|1.982709|4.881907|0.222669|0.222605|0.145228|0.124277|0.107724|0.218978|0.500000| |2.728016|5.282926|3.725568|3.790902|4.757930|7.009067|6.686348|4.550559|16.497759|17.530852|8.814996|0.214819|6.830619|6.127838|0.120926|3.764582|3.688578|4.288324|0.081364|2.828496|4.415712|2.949989|2.594634|2.642445|22.568585|3.410980|5.312807|2.308495|1.974658|1.893325|2.082859|2.232553|3.693285|2.979024|2.562309|2.408460|2.746793|3.276239|10.125628|0.076063|0.078704|0.065913|0.088077|0.119891|0.221343|0.112856|0.500000| |2.736314|5.297871|3.738606|3.799123|4.765998|7.044641|6.745242|4.576109|16.539271|17.534276|8.852371|0.174391|6.913466|6.367996|0.122815|3.634711|3.305079|3.793839|0.073342|2.458499|3.874367|2.528807|2.229641|2.276935|19.510523|2.927844|4.684047|2.017770|1.756599|1.669525|1.802206|1.937489|4.259366|3.319530|2.940857|2.760502|3.234794|3.753530|12.664184|0.078919|0.076353|0.066079|0.088191|0.119846|0.224294|0.113492|0.299255|0.500000| |1.970651|3.723266|2.448470|2.520848|2.990033|3.668663|3.471166|2.779792|8.305597|6.651096|8.868512|0.221323|17.648640|12.244960|0.201430|7.751483|6.780267|7.048954|0.132814|4.050904|6.029433|3.931085|3.127549|3.006381|25.910108|4.624227|8.451797|2.475348|2.149020|2.059668|2.314469|2.633366|5.655354|4.135498|3.252925|3.090912|3.606943|4.945411|10.332995|0.055314|0.056303|0.049358|0.062429|0.081567|0.107960|0.072580|0.195165|0.162876|0.500000| |2.029182|3.823035|2.522317|2.576921|3.051281|3.796197|3.644002|2.894521|8.537304|7.069047|8.789181|0.174025|17.653761|12.342652|0.187233|6.212852|4.743687|5.145687|0.101422|3.061671|4.739141|2.988873|2.490379|2.446720|20.954003|3.468839|6.098887|2.091204|1.845574|1.758070|1.925002|2.148973|7.588796|4.771249|3.893182|3.761729|4.769236|6.741665|12.408536|0.058087|0.057106|0.050647|0.063471|0.082359|0.115235|0.075804|0.175812|0.212592|0.301562|0.500000| |1.599377|2.981242|1.897558|1.947384|2.227715|2.570472|2.466299|2.095072|5.445279|3.781681|4.750477|0.125989|7.329790|12.329218|0.183873|17.631847|8.820284|9.710310|0.211164|4.697970|7.096340|4.016115|3.080795|2.819414|23.055988|4.385896|8.097271|2.308822|2.085574|2.010589|2.258748|2.666371|6.386067|4.875604|3.707170|3.710797|4.285462|6.504189|7.296191|0.045055|0.045421|0.040790|0.049561|0.061792|0.074714|0.055790|0.105686|0.101160|0.229265|0.181291|0.500000| |1.474484|2.769359|1.749959|1.825163|2.087927|2.339633|2.193559|1.889698|4.956912|3.252687|4.208770|0.114606|5.612030|12.333431|0.212044|17.643721|8.984730|9.211955|0.187563|4.617123|6.879883|4.083877|3.134565|2.904269|24.199881|4.587398|8.688368|2.375664|2.165372|2.040089|2.238981|2.676745|7.380826|6.866145|4.669829|4.432633|4.589951|6.632337|7.183848|0.041453|0.041465|0.037907|0.047081|0.059154|0.064647|0.049932|0.087138|0.086836|0.150877|0.137895|0.302401|0.500000| |1.448111|2.809403|1.729676|1.901655|2.124061|2.118593|1.893088|1.727732|4.177340|2.272341|2.529963|0.081708|2.343475|3.287009|0.074835|2.444222|2.954842|3.908460|0.069716|3.286415|5.232200|4.355725|5.633373|8.987310|48.908825|4.512906|4.786387|17.554181|8.874707|5.483528|4.698382|4.547382|2.093944|2.131979|1.848218|1.662955|1.649198|1.840179|4.304982|0.038780|0.040860|0.038130|0.051793|0.063960|0.051332|0.044507|0.063263|0.056196|0.066733|0.057509|0.061871|0.064660|0.500000| |1.499657|2.892032|1.776984|1.929748|2.134878|2.147118|1.947139|1.784991|4.172076|2.287523|2.479163|0.080154|2.313732|3.147164|0.070026|2.367664|2.876710|3.917763|0.070318|3.382102|5.501868|4.429894|6.112176|8.889826|41.271951|4.289743|4.530544|17.522406|8.784119|6.963963|6.330023|5.295602|1.983291|1.965181|1.709082|1.565218|1.578708|1.772882|4.080985|0.039921|0.042785|0.039439|0.052275|0.063114|0.053018|0.046227|0.065415|0.056303|0.067546|0.056956|0.061327|0.061593|0.304886|0.500000| |1.245850|2.372828|1.446014|1.551888|1.706481|1.734503|1.593765|1.463439|3.395460|1.911953|2.131415|0.066665|2.083132|2.996313|0.066469|2.342393|2.845095|4.032460|0.073262|3.598061|6.081302|4.514945|6.371586|7.166017|33.321825|4.026461|4.301652|8.898474|17.545289|8.801836|6.306087|6.378005|1.932540|1.990375|1.737189|1.593258|1.567704|1.745707|3.622355|0.033637|0.035271|0.032926|0.042077|0.050195|0.044006|0.038336|0.053687|0.048339|0.060076|0.051820|0.059949|0.063610|0.207032|0.173966|0.500000| |1.255545|2.398831|1.451403|1.564305|1.702809|1.702020|1.562584|1.451579|3.276881|1.810124|1.971640|0.061486|1.888081|2.653873|0.058648|2.023264|2.390111|3.319449|0.061136|2.851354|4.844691|3.478594|4.608272|5.545289|28.365105|3.266129|3.623753|8.886248|17.552569|8.885328|5.470245|4.643349|1.730444|1.766959|1.565618|1.438316|1.422118|1.567286|3.360259|0.033666|0.035541|0.033349|0.042836|0.050264|0.042713|0.037966|0.050906|0.045765|0.054207|0.047382|0.052363|0.054499|0.226190|0.204283|0.304812|0.500000| |1.174066|2.210881|1.333415|1.409067|1.522872|1.551780|1.455020|1.353039|2.976184|1.686982|1.826826|0.056207|1.808826|2.540139|0.054822|2.002880|2.376912|3.487712|0.065492|3.132165|5.694946|3.587106|4.843396|4.672489|23.377585|3.070333|3.432854|5.482961|8.903367|17.534203|8.848480|6.405599|1.651807|1.667258|1.478934|1.387008|1.381941|1.531637|3.060389|0.031619|0.033488|0.031159|0.038227|0.044072|0.040379|0.035832|0.048191|0.043032|0.052958|0.045719|0.052865|0.054109|0.123968|0.140122|0.223955|0.207510|0.500000| |1.262084|2.386377|1.438059|1.525048|1.643168|1.660819|1.553003|1.450360|3.158651|1.767301|1.885549|0.058496|1.831202|2.516717|0.054441|1.946541|2.301129|3.302096|0.061634|2.905089|5.139936|3.409577|4.593715|4.831086|24.202309|3.027094|3.382722|6.370050|8.850502|17.531254|8.913913|5.459238|1.628379|1.623620|1.441615|1.348490|1.354838|1.502158|3.133868|0.033741|0.036117|0.033513|0.041501|0.047608|0.042787|0.038283|0.050812|0.044732|0.053720|0.046218|0.051562|0.051783|0.139123|0.190068|0.174951|0.225250|0.304553|0.500000| |1.256978|2.350901|1.423924|1.486704|1.607487|1.665943|1.581767|1.464274|3.192251|1.840893|1.973171|0.060847|1.982581|2.725156|0.057852|2.185405|2.631022|4.004030|0.075548|3.738642|7.104838|4.121196|5.523215|4.676971|23.586686|3.325037|3.707316|4.707708|5.464134|8.915058|17.550899|8.908336|1.738997|1.709527|1.504611|1.428413|1.449818|1.630412|3.211965|0.033837|0.036217|0.033177|0.039889|0.045860|0.044372|0.039002|0.053761|0.046749|0.059593|0.049998|0.058883|0.057843|0.103571|0.132490|0.137026|0.124008|0.223943|0.210634|0.500000| |1.407578|2.657856|1.624308|1.711845|1.869583|1.935277|1.815121|1.667232|3.732418|2.132025|2.286279|0.072206|2.244880|3.036602|0.065293|2.392029|2.939074|4.330200|0.079191|4.017833|7.051964|4.871294|7.073377|6.499908|30.256407|4.025838|4.308147|6.585580|6.371631|8.813947|17.530682|8.887850|1.902053|1.852609|1.613124|1.514632|1.545984|1.752541|3.670335|0.037686|0.040626|0.036972|0.045800|0.053625|0.050597|0.043996|0.062633|0.053184|0.067780|0.055783|0.063822|0.062051|0.133604|0.205915|0.145552|0.138754|0.174593|0.222950|0.305256|0.500000| |1.323595|2.477251|1.521097|1.586559|1.745180|1.849999|1.752064|1.589007|3.634996|2.157066|2.384036|0.074100|2.475286|3.465426|0.073225|2.914643|3.730904|6.168433|0.113042|6.766806|13.831185|7.045616|9.003287|5.697970|29.170335|4.750318|5.086503|4.568492|4.647191|5.475099|8.888646|17.632282|2.143575|2.090847|1.793716|1.704177|1.738492|2.005132|3.812574|0.035923|0.038101|0.034622|0.042017|0.049671|0.049835|0.042252|0.063200|0.054478|0.076073|0.061297|0.078238|0.076392|0.102628|0.119536|0.130420|0.102689|0.139634|0.124045|0.226867|0.207230|0.500000| |1.238274|2.328151|1.423300|1.498226|1.646512|1.720044|1.612601|1.470143|3.380830|1.974147|2.205257|0.068318|2.258959|3.252551|0.070006|2.696243|3.391619|5.344465|0.097853|5.460490|10.339393|6.197371|8.895431|6.141351|29.643322|4.485209|4.764990|5.222064|6.127700|6.909053|8.788677|17.512976|2.055870|2.069046|1.785143|1.677099|1.675714|1.903905|3.635693|0.033628|0.035360|0.032552|0.040038|0.047421|0.045430|0.038937|0.056582|0.050146|0.067326|0.056156|0.070541|0.072859|0.117285|0.124808|0.194443|0.128857|0.191648|0.139620|0.205121|0.173780|0.306457|0.500000| |1.805573|3.441280|2.229905|2.347947|2.768648|3.201417|2.931366|2.437296|7.084120|4.772403|6.378332|0.140064|7.572911|12.553019|0.219803|5.635605|4.234032|4.527980|0.088517|2.744741|4.255311|2.740739|2.319156|2.325810|20.327900|3.242038|5.713141|2.014795|1.794498|1.672167|1.782599|1.993732|17.674347|8.950637|6.959661|5.789317|6.948799|8.873959|14.430873|0.051716|0.049757|0.045797|0.059424|0.078022|0.086362|0.063183|0.111522|0.140364|0.149703|0.228166|0.140305|0.146963|0.056717|0.053799|0.051167|0.046548|0.043880|0.043760|0.046066|0.050783|0.055623|0.053322|0.500000| |1.560631|2.995463|1.904824|2.051301|2.394201|2.606524|2.332038|2.006654|5.641444|3.440524|4.595747|0.120659|4.847472|9.590715|0.231382|5.402093|4.529245|4.791797|0.090842|2.968767|4.536213|3.053180|2.583432|2.626631|23.548783|3.704524|6.490937|2.260892|2.023183|1.834513|1.918657|2.180630|8.840345|17.542752|8.811045|5.484873|4.839214|5.484103|10.191255|0.044007|0.042957|0.040199|0.053398|0.070166|0.066263|0.051837|0.084387|0.093000|0.111465|0.123056|0.119855|0.161679|0.064814|0.058599|0.059012|0.052478|0.048403|0.047358|0.048992|0.053688|0.059455|0.059534|0.216806|0.500000| |1.428846|2.701247|1.699496|1.793485|2.050141|2.247517|2.076279|1.806593|4.733922|2.971529|3.800208|0.100544|4.471575|9.288067|0.187200|6.529161|4.937838|5.414621|0.107144|3.211258|4.973011|3.104311|2.571255|2.508431|21.313177|3.571921|6.240670|2.138999|1.960117|1.809155|1.915360|2.216466|8.784311|17.524271|8.856643|6.767276|5.645901|6.758682|7.436454|0.040360|0.039635|0.036916|0.046709|0.058931|0.060025|0.047443|0.076036|0.081353|0.109023|0.116809|0.143989|0.241572|0.060041|0.055266|0.057773|0.050442|0.048277|0.046359|0.049434|0.052951|0.061446|0.061267|0.174158|0.302010|0.500000| |1.535802|2.915628|1.834569|1.940989|2.210116|2.399102|2.212502|1.938128|4.954199|3.004903|3.582287|0.088879|3.787239|6.241304|0.126234|3.709105|3.057195|3.504733|0.069553|2.222215|3.542341|2.227281|1.953135|1.974086|16.728034|2.549698|4.167670|1.760988|1.607302|1.486731|1.547906|1.715987|6.856877|8.850499|17.524995|8.836501|6.763619|5.629569|7.940837|0.044010|0.041845|0.039665|0.050613|0.063418|0.063200|0.050697|0.073404|0.087209|0.088021|0.108862|0.093026|0.109561|0.050282|0.046552|0.046357|0.042318|0.039568|0.038949|0.040223|0.043423|0.047313|0.046946|0.205901|0.216016|0.174024|0.500000| |1.366241|2.583362|1.607896|1.700538|1.915854|2.050938|1.898875|1.685094|4.191429|2.522141|3.014471|0.078356|3.241066|5.575473|0.115168|3.648231|3.071228|3.594472|0.071745|2.290553|3.673299|2.275952|1.996508|2.000411|16.680699|2.566184|4.130025|1.782357|1.650988|1.521438|1.575248|1.763843|5.536795|8.866503|17.577174|8.805670|5.489668|4.835105|6.288801|0.038856|0.037422|0.035541|0.044793|0.055290|0.054094|0.044309|0.063483|0.071182|0.078730|0.089804|0.089913|0.115195|0.050879|0.046516|0.048285|0.043434|0.040843|0.039554|0.040963|0.043635|0.048458|0.048982|0.142027|0.212530|0.216759|0.303881|0.500000| |1.354804|2.520567|1.559303|1.610382|1.783866|1.937940|1.854486|1.658484|3.863820|2.379487|2.697543|0.068073|3.012494|4.803055|0.091580|3.210865|2.618939|3.167649|0.065351|2.008747|3.294036|1.942223|1.711688|1.689777|13.698935|2.128818|3.389568|1.516352|1.414644|1.332449|1.394082|1.545872|4.880502|5.486279|8.837371|17.570937|8.839234|5.487612|5.385825|0.039007|0.037141|0.035206|0.042141|0.050215|0.053792|0.044339|0.060652|0.069865|0.074119|0.089458|0.085545|0.098403|0.042695|0.040208|0.040918|0.037252|0.035861|0.034924|0.036738|0.038811|0.043185|0.042667|0.129624|0.123297|0.139198|0.215197|0.211106|0.500000| 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