Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)c2csc3c2c(=O)[nH]c(n3)CN(Cc4[nH]c(=O)c5ccccc5n4)C[C@H]6CCCO6 C62566562 RHF 6-31G(d) (6D,7F) c1ccc(cc1)c2csc3c2c(=O)[nH]c(n3)CN(Cc4[nH]c(=O)c5ccccc5n4)C[C@H]6CCCO6 C01[X(C27H41N5O3S1)] 225 C1 626 O=c1[nH]c(CN(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)nc2c1c(cs2)c1ccccc1 O=c1[nH]c(CN(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)nc2c1c(cs2)c1ccccc1 O=C1NC(CN(C[C@H]2CCCO2)CC3NC(=O)c4c(N3)scc4C5CCCCC5)NC6CCCCC16 InChIKey=BUBPECCVDPVIET-NGYFWFCOSA-N InChI=1S/C27H41N5O3S/c33-25-19-10-4-5-11-21(19)28-22(29-25)14-32(13-18-9-6-12-35-18)15-23-30-26(34)24-20(16-36-27(24)31-23)17-7-2-1-3-8-17/h16-19,21-23,28,31H,1-15H2,(H,29,33)(H,30,34)/t18-,19?,21?,22?,23?/m1/s1 InChI=1/C27H41N5O3S/c33-25-19-10-4-5-11-21(19)28-22(29-25)14-32(13-18-9-6-12-35-18)15-23-30-26(34)24-20(16-36-27(24)31-23)17-7-2-1-3-8-17/h16-19,21-23,28,31H,1-15H2,(H,29,33)(H,30,34)/t18-,19?,21?,22?,23?/m1/s1/f/h29-30H c1ccc(cc1)c2csc3c2c(=O)[nH]c(n3)CN(Cc4[nH]c(=O)c5ccccc5n4)C[C@H]6CCCO6 C01[X(C27H41N5O3S1)] 225 C01 626 O=c1[nH]c(CN(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)nc2c1c(cs2)c1ccccc1 O=C1N[C@H](CN(C[C@@H]2N[C@@H]3CCCC[C@H]3C(=O)N2)C[C@H]2CCCO2)N[C@@H]2[C@H]1C(=CS2)C1CCCCC1 O=C1N[C@H](CN(C[C@H]2CCCO2)C[C@@H]3N[C@H]4SC=C(C5CCCCC5)[C@H]4C(=O)N3)N[C@@H]6CCCC[C@@H]16 InChIKey=RKHMDMYZYVKGAS-KHZHFHJXSA-N InChI=1S/C27H43N5O3S/c33-25-19-10-4-5-11-21(19)28-22(29-25)14-32(13-18-9-6-12-35-18)15-23-30-26(34)24-20(16-36-27(24)31-23)17-7-2-1-3-8-17/h16-19,21-24,27-28,31H,1-15H2,(H,29,33)(H,30,34)/t18-,19-,21-,22-,23+,24+,27+/m1/s1 InChI=1/C27H43N5O3S/c33-25-19-10-4-5-11-21(19)28-22(29-25)14-32(13-18-9-6-12-35-18)15-23-30-26(34)24-20(16-36-27(24)31-23)17-7-2-1-3-8-17/h16-19,21-24,27-28,31H,1-15H2,(H,29,33)(H,30,34)/t18-,19-,21-,22-,23+,24+,27+/m1/s1/f/h29-30H 4316.4656744827 -1940.6888249 1-A 24961.7330 139 487 626 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.96931 -20.56801 -20.51747 -20.51305 -15.58738 -15.57830 -15.57475 -15.56830 -15.56677 -11.34483 -11.34176 -11.31827 -11.31715 -11.30430 -11.28798 -11.28078 -11.26652 -11.26418 -11.26185 -11.26000 -11.24088 -11.23900 -11.23802 -11.23697 -11.23658 -11.22706 -11.22491 -11.22246 -11.22111 -11.21829 -11.21549 -11.20657 -11.20565 -11.20425 -11.20184 -11.20118 -8.97980 -6.66254 -6.66141 -6.65967 -1.39453 -1.38609 -1.38314 -1.30302 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1346.72 1364.58 1379.62 1392.38 1395.43 1400.00 1404.77 1416.68 1433.64 1449.81 1452.42 1461.44 1490.83 1515.68 1526.98 1549.33 1558.47 1578.53 1587.80 1598.28 1608.67 1613.22 1643.60 1652.52 1654.57 1668.61 1689.03 1698.22 1713.01 1714.01 1730.98 1734.65 1750.50 1764.28 1792.33 1794.09 1802.01 1823.59 1830.44 1857.05 1870.45 1878.24 1891.52 1893.46 1906.39 1915.39 1928.21 1933.99 1969.87 1977.90 1980.63 1988.00 2016.43 2021.87 2024.03 2031.36 2037.37 2061.04 2065.95 2082.40 2084.36 2100.79 2117.79 2118.82 2122.66 2141.57 2150.14 2156.37 2160.77 2163.63 2170.20 2176.66 2182.89 2184.99 2190.68 2199.19 2199.21 2199.98 2205.80 2225.39 2230.84 2233.80 2244.24 2257.92 2261.33 2282.52 2288.83 2325.83 2330.85 2342.62 2346.00 2351.41 2352.74 2352.75 2354.72 2360.08 2363.53 2365.43 2373.89 2377.15 2381.91 2388.33 2389.68 2400.46 2418.10 2431.06 2463.09 2527.14 2788.72 2815.58 4534.35 4572.44 4573.92 4576.86 4583.69 4583.75 4585.52 4587.12 4588.23 4592.98 4593.62 4601.66 4611.70 4612.11 4618.90 4636.11 4639.99 4640.41 4640.67 4642.84 4651.21 4654.98 4659.62 4664.13 4668.40 4670.23 4679.26 4683.77 4696.52 4706.63 4709.75 4712.29 4729.02 4734.09 4746.76 4754.59 4974.34 5369.00 5461.09 5513.60 5558.55 0.726804 0.758003 0.758947 0.660201 -1939.962021 -1939.930822 -1939.929878 -1940.028624 3.311957D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE c1ccc(cc1)c2csc3c2c(=O)[nH]c(n3)CN(Cc4[nH]c(=O)c5ccccc5n4)C[C@H]6CCCO6 C62566562 RHF 6-31G(d) (6D,10F) C1 515.293012 |X|Y|Z| 132.683478 77.143547 37.492444 72.669705 34 6 7 8 16 27 5 1 1 |36.858105| |12.447284|36.858105| |7.517667|12.441817|36.858105| |6.410330|7.506467|12.362838|36.858105| |7.525362|6.453543|7.561506|12.411512|36.858105| |12.445616|7.541780|6.457051|7.531601|12.437142|36.858105| |4.333622|4.910840|7.562619|12.569350|7.468410|4.888616|36.858105| |3.753755|3.939912|5.462060|7.506826|6.464620|4.271521|14.203482|36.858105| |2.818315|3.004525|3.905107|4.683603|4.072775|3.079405|7.352443|10.881958|388.023441| |2.854954|3.218472|4.270249|5.035139|3.910238|3.057041|8.108168|7.706113|78.426626|36.858105| |3.461075|4.077977|5.792428|7.272344|4.869412|3.716647|13.075203|8.247199|52.707885|13.993079|36.858105| |3.264952|4.008428|5.261556|5.916839|4.073021|3.405579|7.223004|5.108195|34.222157|7.849593|12.974091|36.858105| |3.603141|4.604833|5.702492|6.184844|4.214714|3.713878|6.175124|4.367150|27.413914|5.361843|8.004650|15.821431|73.516695| |2.652858|3.156653|3.895448|4.172971|3.172567|2.735812|5.035555|4.093453|30.888163|7.153929|8.011836|13.891965|15.122557|53.358707| |2.508580|2.995132|3.538917|3.679317|2.867220|2.556358|4.140211|3.418426|25.176971|5.206478|5.828578|9.542858|14.137234|26.027583|0.500000| |2.359808|2.733166|3.368504|3.558385|2.832203|2.423550|4.475269|3.988190|33.837223|7.970114|6.748523|7.625120|9.483992|17.937409|0.251354|36.858105| |2.414721|2.719626|3.415981|3.802719|3.081194|2.542461|5.210206|4.991546|49.707076|13.978342|7.899703|6.728820|8.405730|11.066346|0.163071|13.139033|53.358707| |2.298900|2.693912|3.306207|3.258760|2.623497|2.284700|3.936332|3.575291|29.463329|5.946232|5.355041|5.781616|8.004363|10.490074|0.183584|12.379127|10.364008|36.858105| |2.013982|2.292203|2.747426|2.726816|2.292871|2.007722|3.270097|3.156333|27.302128|4.878436|4.120568|4.121629|6.007335|6.908149|0.126635|7.684802|8.657648|13.071702|53.358707| |2.041261|2.289458|2.771773|2.742719|2.348133|2.032352|3.338721|3.381277|30.340302|4.885610|3.995921|3.682341|5.426698|5.621974|0.101162|5.663114|7.832400|7.779540|17.784961|36.858105| |1.826749|1.997392|2.368994|2.403872|2.126215|1.844960|2.907676|3.060378|28.473835|4.182630|3.354996|3.051531|4.583532|4.606987|0.084078|4.478505|6.722091|5.129840|10.328561|12.469461|36.858105| |1.623984|1.768252|2.046585|2.050240|1.837288|1.627629|2.394601|2.482763|21.783501|3.203744|2.711695|2.558727|3.957616|3.875076|0.073239|3.603701|5.055865|4.175270|8.239704|7.698755|13.033950|53.358707| |1.608633|1.757327|2.022430|1.992102|1.786112|1.595116|2.293064|2.357072|20.056357|2.956074|2.570763|2.448780|3.833709|3.672030|0.070143|3.331917|4.543930|4.007937|7.701616|7.165399|8.992700|25.955587|0.500000| |1.473087|1.586411|1.810053|1.831795|1.665507|1.486172|2.115086|2.202108|19.138777|2.765987|2.364643|2.247435|3.521891|3.393568|0.064934|3.072356|4.341200|3.361885|6.116029|5.082138|7.593429|19.105610|0.265393|36.858105| |1.364248|1.464154|1.649860|1.656558|1.517837|1.369290|1.880042|1.946556|16.440850|2.367764|2.074782|1.993724|3.173911|2.984741|0.057918|2.625015|3.638308|2.883330|5.032482|4.053003|5.304004|11.583046|0.219179|15.854250|73.516695| |1.463022|1.565043|1.786441|1.846066|1.686489|1.496497|2.150668|2.258107|20.068221|2.874810|2.412807|2.279131|3.551936|3.456909|0.065749|3.138826|4.592490|3.219192|5.608007|4.448973|6.557286|10.628817|0.158656|12.514086|14.173565|36.858105| |1.332961|1.409017|1.587674|1.644829|1.528781|1.367342|1.887668|1.995194|17.321890|2.412535|2.068506|1.953719|3.096143|2.906182|0.055785|2.537038|3.717510|2.562662|4.215556|3.325015|4.457096|6.953636|0.117470|7.469674|11.789971|12.453543|36.858105| |1.306277|1.372736|1.540783|1.618863|1.513873|1.353733|1.856534|1.965196|17.051875|2.366325|2.029940|1.919691|3.050156|2.851521|0.054798|2.455818|3.644201|2.388251|3.787542|2.899464|3.686457|5.265599|0.091193|4.901857|7.806838|7.592104|12.432115|36.858105| |1.411473|1.477550|1.672757|1.785769|1.673731|1.478445|2.080203|2.237958|19.994644|2.705740|2.271352|2.105558|3.311917|3.103993|0.058739|2.682253|4.154611|2.531619|3.942470|3.054942|3.888760|5.085322|0.087318|4.336396|6.576580|6.487524|7.492787|12.424685|36.858105| |1.569501|1.661337|1.911341|2.052352|1.887665|1.646024|2.449151|2.630515|24.602576|3.409878|2.751202|2.527786|3.884838|3.797009|0.070592|3.418941|5.488982|3.157174|5.009798|3.866327|5.078792|6.126603|0.101190|4.914826|6.936244|7.580280|6.405123|7.488676|12.424109|36.858105| |1.615018|1.724684|2.000346|2.103446|1.915496|1.669440|2.518645|2.702287|25.425425|3.543957|2.843129|2.599575|3.971144|3.914188|0.072467|3.630942|5.725558|3.579050|6.113487|5.077118|7.983952|9.382394|0.141118|7.499180|9.287572|12.414799|7.525136|6.456145|7.570279|12.491149|36.858105| 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|8.851884|6.781961|5.671947|6.816293|8.852971|17.501332|4.547437|3.860947|20.583832|2.968279|3.639187|3.482224|6.992981|3.802089|0.073448|2.423274|3.414584|2.251460|2.675226|1.957516|1.779102|2.146248|0.042833|1.446243|2.371090|1.462778|1.336984|1.330432|1.450864|1.615502|1.625821|2.454844|1.747537|1.685288|0.050364|1.523753|1.435689|1.452200|2.848139|0.214856|0.139168|0.131521|0.174045|0.500000| |3.856298|3.802520|4.973976|6.552645|6.916993|4.487649|8.765455|17.822772|55.370115|5.432018|5.683429|4.024811|6.448082|4.539144|0.079958|3.264983|5.371452|3.009194|3.719463|2.960905|2.747524|3.095794|0.060347|2.041839|3.241435|2.090312|1.879365|1.854716|2.107849|2.420893|2.476500|3.814474|2.267089|2.115946|0.062134|1.818854|1.709469|1.814984|3.696687|0.088348|0.091834|0.149700|0.229179|0.108562|0.500000| |2.562979|3.059719|3.888465|3.697103|2.909360|2.508954|4.500209|4.018468|31.852898|6.336051|6.050029|6.174165|8.565165|9.526469|0.163003|8.824934|9.329915|17.531998|12.225112|7.521547|4.808439|5.261919|0.105593|3.097399|4.779483|2.929803|2.382265|2.214071|2.360085|2.890593|3.285508|5.969808|6.007672|5.330928|0.175971|3.877813|3.296483|3.434259|7.991775|0.063446|0.082780|0.107206|0.079688|0.067763|0.093028|0.500000| |2.214748|2.618678|3.118320|3.009879|2.438073|2.176115|3.456657|3.087060|24.217269|4.650520|4.524152|5.308509|7.881529|9.785931|0.198180|8.949790|7.630993|17.558011|12.392812|5.789718|4.170878|4.989943|0.100303|3.042053|4.772226|2.889377|2.346403|2.194860|2.284973|2.775530|3.087961|5.433956|7.741155|6.324040|0.204585|4.792534|3.691666|3.581203|8.141318|0.056182|0.071351|0.083340|0.065584|0.060168|0.073653|0.304435|0.500000| |2.272118|2.555733|3.191007|3.187547|2.689195|2.274613|4.045249|4.163540|38.966799|6.270800|4.886440|4.212015|6.043708|6.160158|0.106536|6.119156|9.364414|7.763771|12.561035|17.631523|9.083317|7.737253|0.146955|4.172562|6.063772|3.886847|3.029683|2.724401|2.962788|3.757137|4.693723|9.518938|5.672792|4.799459|0.136712|3.477094|3.101807|3.544486|8.503988|0.056277|0.068776|0.092875|0.076536|0.060333|0.098743|0.238957|0.153162|0.500000| |2.004322|2.250631|2.692338|2.587730|2.236903|1.962952|3.052791|3.078735|26.109246|4.045992|3.516289|3.287142|5.003140|4.870655|0.090090|4.534854|6.060445|6.324687|12.213457|17.559111|8.892351|9.815039|0.219520|4.764053|7.130026|3.928557|3.055692|2.628741|2.707490|3.269989|4.213457|7.687568|7.092005|6.898225|0.185837|4.488949|4.113823|5.151291|14.364936|0.050521|0.062196|0.078598|0.063768|0.052249|0.076506|0.184388|0.144703|0.304230|0.500000| |1.334256|1.402725|1.580683|1.634533|1.530866|1.367442|1.874212|2.004184|17.376100|2.356272|2.024542|1.888733|3.001093|2.766332|0.052864|2.391865|3.547082|2.433586|3.960665|3.233907|4.355632|6.665750|0.115327|6.745914|10.990829|8.853938|17.506387|8.819333|6.716734|5.630172|6.814864|6.309664|2.802304|2.478839|0.062579|2.238608|2.122866|2.431055|4.759731|0.034474|0.037953|0.045127|0.043481|0.036945|0.052926|0.064033|0.061612|0.083123|0.083935|0.500000| |1.228711|1.283167|1.429273|1.499512|1.415530|1.273299|1.702153|1.804590|15.379728|2.110507|1.836793|1.738682|2.790015|2.553887|0.049332|2.158318|3.185426|2.105393|3.280662|2.517991|3.112189|4.459934|0.079689|4.056619|6.817917|5.516007|8.822938|17.541011|8.822915|5.475828|4.852782|4.856153|2.335529|2.049670|0.052447|1.905201|1.780675|1.951775|3.763805|0.031944|0.034501|0.040251|0.039750|0.034752|0.047787|0.054820|0.054224|0.066364|0.064558|0.214483|0.500000| |1.416068|1.472335|1.667051|1.778757|1.683711|1.483894|2.070928|2.263237|20.223644|2.639221|2.221491|2.029833|3.203500|2.940300|0.055415|2.514100|3.935648|2.399660|3.709478|2.961791|3.780984|4.890788|0.085113|4.095414|6.295584|5.654139|6.719661|8.849299|17.500869|8.863545|6.810867|6.278856|2.486821|2.156272|0.056171|1.932566|1.798937|1.990861|3.958463|0.036435|0.039224|0.047244|0.047621|0.040209|0.059928|0.063291|0.059957|0.080976|0.073887|0.196227|0.215864|0.500000| |1.672167|1.761261|2.041850|2.231526|2.059642|1.773072|2.708202|2.967452|28.802431|3.839205|3.024821|2.707964|4.128332|3.999435|0.073178|3.563989|6.054815|3.187006|4.865361|3.795297|4.758016|5.407443|0.091724|4.076164|5.889040|5.517311|4.817622|5.466561|8.782129|17.555788|8.879207|9.599955|3.044003|2.512797|0.066240|2.185235|1.970981|2.153370|4.443382|0.042540|0.046309|0.057212|0.057544|0.048251|0.075640|0.082324|0.076884|0.107368|0.088627|0.126312|0.122988|0.215335|0.500000| |1.770381|2.012812|2.311091|2.272657|1.940526|1.753798|2.580588|2.439569|19.830250|3.442544|3.152382|3.414393|5.303502|5.863557|0.120590|5.545932|5.815231|7.415357|12.607416|5.645074|4.605801|6.232589|0.125276|3.857467|6.085457|3.541742|2.782523|2.534447|2.524032|3.046887|3.488397|5.970962|17.550054|8.926086|0.204192|7.151544|4.652975|4.451148|10.200145|0.045588|0.055201|0.063122|0.052909|0.048444|0.060111|0.152568|0.238282|0.128776|0.143169|0.070876|0.061768|0.064797|0.079945|0.500000| |1.657241|1.848857|2.125167|2.101547|1.833732|1.647191|2.411752|2.367701|19.854804|3.236896|2.853496|2.900173|4.497693|4.693064|0.092287|4.474686|5.383658|5.684947|12.456041|6.917793|6.357672|10.060917|0.201359|5.801866|8.811150|4.793362|3.523668|3.022483|2.924882|3.539176|4.401853|7.522589|17.616899|8.972478|0.175264|6.675163|4.876847|5.394653|13.302698|0.042615|0.050761|0.059343|0.050815|0.045012|0.059120|0.129743|0.151918|0.140704|0.177538|0.088849|0.072430|0.075091|0.089368|0.304172|0.500000| |1.618321|1.841461|2.036351|1.924236|1.674827|1.561091|2.076259|1.955815|15.002000|2.458167|2.389541|2.591492|4.304089|4.053547|0.086217|3.300421|3.748297|4.188069|6.064964|3.661617|3.101787|4.465269|0.098182|2.879579|4.949220|2.542712|2.149426|1.947476|1.899586|2.155909|2.430617|3.824203|6.263353|8.712473|0.220122|17.579669|8.662703|5.711124|10.364003|0.042354|0.051983|0.056049|0.045937|0.043049|0.049538|0.105711|0.138477|0.088613|0.107333|0.056293|0.049155|0.049995|0.057097|0.189205|0.149217|0.500000| |1.497922|1.675495|1.863512|1.796206|1.583559|1.463119|1.970210|1.898983|14.979943|2.402598|2.258741|2.376881|3.878564|3.728113|0.077265|3.168269|3.736487|3.905608|6.340387|3.918450|3.535273|5.504963|0.122752|3.617144|6.356413|3.072147|2.555639|2.256457|2.143593|2.423264|2.793968|4.316694|7.213544|8.824188|0.174539|17.521852|8.815898|6.862986|12.107350|0.039115|0.046857|0.051754|0.043719|0.040208|0.048298|0.096472|0.118968|0.090798|0.113888|0.065936|0.056490|0.055942|0.062570|0.200355|0.206419|0.301173|0.500000| |1.585335|1.788283|1.961723|1.813449|1.604961|1.505198|1.934145|1.852778|14.007263|2.194563|2.143435|2.234568|3.747561|3.305560|0.068127|2.653754|3.203471|3.340255|4.900815|3.383372|2.900683|4.252267|0.098998|2.714580|4.805854|2.314338|2.002441|1.782613|1.735686|1.930283|2.212488|3.407115|4.455664|6.838795|0.189434|8.823433|17.550810|8.808079|11.887520|0.041575|0.051394|0.055376|0.044770|0.040945|0.047741|0.091854|0.101152|0.083098|0.107823|0.053908|0.045625|0.046687|0.051435|0.115108|0.113592|0.216992|0.173959|0.500000| |1.406816|1.563541|1.707242|1.612223|1.443563|1.353160|1.728519|1.675047|12.847886|1.990808|1.913837|1.984938|3.317933|2.967630|0.061236|2.410567|2.950391|2.915669|4.446428|3.061714|2.789386|4.304026|0.100220|2.867592|5.271560|2.415463|2.112121|1.863429|1.772618|1.943558|2.224455|3.330229|4.182571|5.702577|0.137318|8.667518|17.586563|8.714476|10.373832|0.037024|0.044467|0.048019|0.040223|0.036951|0.043356|0.077600|0.086854|0.074157|0.094444|0.056299|0.047824|0.047361|0.050943|0.109940|0.115915|0.194316|0.216938|0.301536|0.500000| |1.558029|1.726558|1.920532|1.794074|1.610137|1.489897|1.948956|1.925002|14.887597|2.242052|2.126495|2.120673|3.489840|3.088704|0.061584|2.555577|3.248491|3.186108|5.023981|3.892615|3.482265|5.393965|0.137031|3.346781|6.061536|2.682197|2.316927|1.991344|1.924246|2.124245|2.528152|3.838364|4.318231|6.085033|0.153625|5.779023|8.682577|17.594343|16.592038|0.040552|0.049295|0.055476|0.045667|0.040038|0.050047|0.089345|0.089112|0.093222|0.133727|0.063725|0.050990|0.052527|0.056180|0.101939|0.118821|0.127515|0.138292|0.220870|0.191541|0.500000| |1.446258|1.592381|1.772370|1.693524|1.523059|1.403781|1.858848|1.844800|14.588590|2.208109|2.054925|2.058468|3.359830|3.068230|0.061384|2.593750|3.294820|3.166313|5.263587|3.935961|3.761022|6.406920|0.166577|4.126676|7.840156|3.161183|2.698829|2.267865|2.131378|2.343774|2.821516|4.199627|4.875878|6.341133|0.139208|6.634172|8.765435|17.555692|16.582684|0.037688|0.044886|0.050612|0.042921|0.037983|0.047785|0.084559|0.088453|0.090888|0.127123|0.072712|0.057636|0.057374|0.060507|0.114493|0.148455|0.135233|0.184326|0.174499|0.220060|0.301091|0.500000| |17.489141|8.852183|6.753939|5.612760|6.776402|8.858059|4.120115|3.754733|20.084181|2.774069|3.271519|3.003545|5.689604|3.384377|0.064889|2.267550|3.190938|2.242794|2.712236|2.054139|1.844487|2.232156|0.045279|1.484809|2.448219|1.467491|1.340125|1.307175|1.411609|1.564119|1.620408|2.452312|1.777456|1.767472|0.053460|1.583170|1.527765|1.564948|3.056286|0.303289|0.215206|0.198427|0.201077|0.173810|0.110551|0.069934|0.059580|0.063701|0.056497|0.037471|0.034215|0.039571|0.046267|0.048182|0.045707|0.044293|0.041234|0.044120|0.039095|0.043998|0.040556|0.500000| |8.846952|17.509148|8.873882|6.782006|5.651367|6.769895|4.560143|3.595675|20.102383|3.120990|3.991946|4.175099|9.110473|4.455378|0.088078|2.750500|3.656361|2.664655|3.056842|2.197208|1.921786|2.328328|0.047092|1.542939|2.534383|1.529643|1.377563|1.348976|1.449439|1.630059|1.678845|2.588998|2.009759|1.981846|0.060901|1.785975|1.680273|1.675055|3.294283|0.214823|0.303379|0.173737|0.131631|0.198909|0.094647|0.082485|0.073070|0.067399|0.059569|0.037882|0.035014|0.039881|0.047905|0.055939|0.050626|0.051143|0.046249|0.048731|0.042811|0.046271|0.043068|0.173721|0.500000| |5.494704|8.849637|17.588898|8.809032|5.505676|4.847816|6.993918|4.967740|27.517500|4.569917|6.385097|6.366980|12.513965|6.258192|0.116366|3.858991|5.087765|3.868346|4.203579|3.044230|2.529022|2.970950|0.060121|1.911816|3.090693|1.874225|1.647957|1.590950|1.717241|1.978992|2.088287|3.342468|2.642257|2.594363|0.081889|2.236646|2.077744|2.101030|4.275257|0.123348|0.212785|0.302405|0.140231|0.127109|0.120062|0.129749|0.102592|0.097050|0.082153|0.045300|0.040786|0.047194|0.058272|0.072205|0.064892|0.063441|0.057046|0.060280|0.051763|0.057862|0.053209|0.139138|0.216394|0.500000| |5.780379|6.941819|8.942893|17.575652|8.920407|6.957170|9.057049|5.810051|29.277182|4.711039|6.887016|6.512307|13.635499|6.055314|0.111360|3.592437|5.063637|3.196613|3.597223|2.583314|2.273442|2.666742|0.052768|1.764059|2.843433|1.788269|1.595493|1.581243|1.739125|1.996928|2.022900|3.164303|2.264238|2.134359|0.064528|1.881107|1.731888|1.754056|3.532310|0.129339|0.141501|0.174759|0.174069|0.206674|0.140751|0.097987|0.083734|0.081754|0.067331|0.043726|0.040687|0.047723|0.060088|0.062957|0.057162|0.053214|0.049365|0.049185|0.043946|0.047788|0.045514|0.132713|0.205567|0.215289|0.500000| |5.487360|4.830929|5.495458|8.807546|17.537222|8.818569|6.867846|6.446705|29.636508|3.897900|4.680954|3.892837|7.029275|4.211344|0.077510|2.779511|4.201088|2.512014|3.020497|2.265351|2.088550|2.454937|0.048316|1.650079|2.668272|1.691829|1.541705|1.542485|1.720253|1.936233|1.933684|2.927587|1.915152|1.807101|0.053404|1.602314|1.502152|1.549469|3.086849|0.123162|0.106562|0.140444|0.302824|0.214312|0.195923|0.075776|0.064622|0.071739|0.059296|0.042839|0.040114|0.048080|0.059242|0.052362|0.049693|0.044581|0.042570|0.042318|0.038491|0.042593|0.040770|0.139487|0.126168|0.123235|0.213344|0.500000| |8.812714|5.491936|4.840610|5.489558|8.828581|17.527194|4.054676|3.786004|20.012802|2.711985|3.168039|2.891205|5.486616|3.261232|0.062447|2.165377|3.115552|2.048428|2.493975|1.868194|1.720543|2.079124|0.041580|1.404899|2.310211|1.417865|1.306741|1.297442|1.417121|1.562450|1.578000|2.356011|1.631471|1.583583|0.047047|1.429771|1.363712|1.394823|2.723360|0.211496|0.123208|0.127102|0.215214|0.303385|0.114851|0.061921|0.054187|0.057709|0.050269|0.036434|0.034070|0.039693|0.046765|0.044681|0.042412|0.040011|0.037792|0.038853|0.035177|0.038765|0.036613|0.215065|0.139069|0.106734|0.141776|0.212985|0.500000| |2.103008|2.396127|2.852151|3.018547|2.486023|2.167593|3.652149|3.346854|28.387964|5.870753|5.046106|5.732708|7.886110|12.602160|0.223842|17.596912|12.640819|8.924703|9.692437|5.032728|4.291439|4.904935|0.091341|3.164248|4.809441|3.306306|2.657171|2.602769|2.815838|3.613274|3.741995|6.699237|5.494271|4.017745|0.112085|3.354559|2.714316|2.733284|5.940176|0.053254|0.062981|0.075250|0.065947|0.060706|0.078470|0.174473|0.216391|0.140027|0.113207|0.068231|0.063041|0.071726|0.102221|0.170359|0.132086|0.093542|0.092137|0.072115|0.067414|0.068702|0.071930|0.056109|0.067590|0.088988|0.085835|0.068647|0.054438|0.500000| |2.200587|2.436939|3.002607|3.284085|2.767332|2.306668|4.359325|4.460666|47.599745|9.394796|5.821208|4.992201|6.749700|7.961871|0.129302|9.121147|25.936185|6.828002|9.382659|6.681875|6.243012|5.985170|0.105688|3.744464|5.406239|4.059435|3.176501|3.088801|3.583398|5.014915|5.392142|11.215329|4.649500|3.584430|0.098916|2.880085|2.484984|2.671963|5.906477|0.054738|0.063444|0.082728|0.075854|0.062772|0.101893|0.167738|0.140509|0.216705|0.135596|0.083822|0.073613|0.093688|0.154595|0.121180|0.121062|0.076378|0.078927|0.065954|0.061719|0.068959|0.071225|0.060083|0.066315|0.089750|0.088060|0.077294|0.058543|0.219904|0.500000| |1.855557|2.005994|2.384142|2.421623|2.174906|1.875934|2.935668|3.190063|29.977070|4.052724|3.265031|2.879754|4.366292|4.182445|0.076073|3.879310|6.054393|4.318492|7.659185|9.031843|17.522456|12.446388|0.205803|6.385313|8.508206|5.670149|4.244743|3.529481|3.808167|4.762295|7.197661|12.695750|4.503928|3.905187|0.101670|3.055601|2.848896|3.436203|7.770353|0.046740|0.054271|0.069818|0.062725|0.049770|0.080884|0.119395|0.099082|0.232165|0.213797|0.122378|0.084644|0.107889|0.129026|0.102747|0.131580|0.075506|0.083959|0.073874|0.070425|0.091039|0.094497|0.052575|0.053048|0.069587|0.062692|0.059314|0.048881|0.100929|0.151912|0.500000| |1.442514|1.550798|1.763378|1.824186|1.655834|1.476224|2.114727|2.183574|19.168759|2.843558|2.406063|2.322381|3.623300|3.596000|0.069161|3.283070|4.658148|3.323737|5.783737|4.238119|5.681098|9.007355|0.141840|9.165055|12.081246|17.441321|8.926587|7.009736|5.863067|7.045226|8.942377|9.488078|4.236925|3.348637|0.081196|2.996847|2.639159|2.939078|6.019501|0.037202|0.041846|0.049408|0.046145|0.040355|0.055777|0.081813|0.084231|0.102125|0.103049|0.174278|0.142175|0.133788|0.143068|0.108607|0.145947|0.074861|0.091911|0.065360|0.069059|0.072908|0.087392|0.039932|0.042421|0.051716|0.049589|0.046193|0.038738|0.099511|0.112909|0.130600|0.500000| |1.258242|1.331383|1.488628|1.530146|1.423260|1.283963|1.735372|1.815764|15.428249|2.175770|1.897775|1.816107|2.904509|2.704963|0.052511|2.334797|3.336951|2.388831|3.913020|3.027585|3.883764|6.367449|0.112643|6.951911|12.947590|8.854337|17.606713|8.780269|5.469050|4.819511|5.495505|5.624020|2.912522|2.559852|0.063358|2.385751|2.238376|2.523024|4.841290|0.032686|0.036146|0.042111|0.040054|0.034943|0.047637|0.061650|0.061815|0.075883|0.079067|0.303926|0.210309|0.138327|0.106342|0.074957|0.095257|0.059800|0.072360|0.055924|0.060283|0.064733|0.077183|0.035120|0.036237|0.043016|0.041371|0.039738|0.034111|0.068228|0.077633|0.101709|0.214388|0.500000| |1.283522|1.354154|1.514758|1.591193|1.480506|1.329724|1.816465|1.897520|16.302930|2.320897|2.005203|1.926311|3.067991|2.896966|0.056169|2.492166|3.626138|2.404358|3.797237|2.808293|3.463176|4.982403|0.087060|4.569606|7.384395|6.825331|8.858610|17.495329|8.846700|6.711693|5.631504|5.683769|2.729695|2.314642|0.058545|2.154475|1.961418|2.124920|4.150469|0.033332|0.036352|0.042301|0.041209|0.036500|0.049474|0.061095|0.062068|0.072778|0.070515|0.173580|0.303667|0.173819|0.138166|0.073206|0.086120|0.055647|0.064854|0.049820|0.052514|0.054479|0.062679|0.035503|0.037177|0.043651|0.043511|0.041911|0.035316|0.074865|0.084522|0.089419|0.207387|0.214979|0.500000| |1.373953|1.431549|1.610309|1.732664|1.633951|1.448430|2.004306|2.147921|18.882636|2.563509|2.178033|2.031994|3.218976|2.984880|0.056792|2.530109|3.903422|2.343185|3.553219|2.693444|3.272301|4.253304|0.074823|3.523315|5.507255|4.870368|5.474767|8.810174|17.543443|8.825317|5.511130|5.607289|2.410647|2.061029|0.053734|1.877095|1.720372|1.859890|3.679262|0.035501|0.037988|0.044999|0.045569|0.039677|0.056410|0.060722|0.059325|0.073468|0.066670|0.138251|0.211384|0.303785|0.210717|0.064617|0.072474|0.049181|0.054797|0.044647|0.045537|0.048608|0.053440|0.038024|0.039190|0.045751|0.047199|0.046999|0.038677|0.074269|0.091342|0.088840|0.131165|0.122916|0.215525|0.500000| |1.551228|1.652396|1.893511|2.033791|1.854095|1.626457|2.411752|2.530159|23.160752|3.386130|2.761308|2.605364|4.003480|4.013525|0.075370|3.639257|5.656511|3.281110|5.172303|3.751623|4.661695|5.773023|0.096607|4.602600|6.620581|6.859858|5.629537|6.715446|8.817929|17.482178|8.874363|9.512536|3.400359|2.710099|0.069681|2.401540|2.118185|2.285612|4.695175|0.039791|0.043779|0.052495|0.051225|0.044700|0.064106|0.081310|0.081150|0.099821|0.087742|0.130575|0.138275|0.173616|0.302816|0.091358|0.103540|0.062628|0.070590|0.054416|0.055123|0.058372|0.065065|0.042633|0.045416|0.054880|0.055658|0.052842|0.042716|0.111559|0.141063|0.115623|0.210299|0.126318|0.196074|0.214523|0.500000| |1.622012|1.717647|1.992755|2.091524|1.928565|1.675893|2.501861|2.745245|25.893277|3.402199|2.748976|2.463336|3.790373|3.606840|0.066605|3.256283|5.203675|3.257529|5.409791|4.774299|7.470116|8.647536|0.136307|6.708125|8.793588|8.881112|6.934773|5.797814|6.954555|8.953246|17.504702|12.642887|3.447073|2.914912|0.075006|2.475116|2.288798|2.632628|5.504212|0.041280|0.045989|0.057192|0.055006|0.044983|0.070972|0.086056|0.078167|0.127187|0.114344|0.206162|0.129877|0.205478|0.216174|0.084961|0.105522|0.062500|0.070836|0.058926|0.058756|0.069018|0.075314|0.045573|0.046066|0.057205|0.055241|0.054031|0.044238|0.090322|0.132489|0.226040|0.174855|0.141644|0.132749|0.141644|0.174675|0.500000| 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