Version2.1 2020-12-01T03:55:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccsc1CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H](C(C)C)Oc4ccccc4 C39677326 RHF 6-31G(d) (6D,7F) Cc1ccsc1CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H](C(C)C)Oc4ccccc4 C01[X(C26H36N3O3S1)] 201 C1 571 CC([C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1sccc1C)Oc1ccccc1)C CC([C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1sccc1C)Oc1ccccc1)C CC(C)[C@@H](Oc1ccccc1)C(=O)N2C[C@@H](C(=O)NCc3sccc3C)C4(CC[NH2+]CC4)C2 InChIKey=MVASSIXTVBFHLW-JTHBVZDNSA-O InChI=1S/C26H35N3O3S/c1-18(2)23(32-20-7-5-4-6-8-20)25(31)29-16-21(26(17-29)10-12-27-13-11-26)24(30)28-15-22-19(3)9-14-33-22/h4-9,14,18,21,23,27H,10-13,15-17H2,1-3H3,(H,28,30)/p+1/t21-,23+/m0/s1 InChI=1/C26H35N3O3S/c1-18(2)23(32-20-7-5-4-6-8-20)25(31)29-16-21(26(17-29)10-12-27-13-11-26)24(30)28-15-22-19(3)9-14-33-22/h4-9,14,18,21,23,27H,10-13,15-17H2,1-3H3,(H,28,30)/p+1/t21-,23+/m0/s1/fC26H36N3O3S/h27-28H/q+1 Cc1ccsc1CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H](C(C)C)Oc4ccccc4 C01[X(C26H36N3O3S1)] 201 C01 571 CC([C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1sccc1C)Oc1ccccc1)C CC([C@H](C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)NCC1=[C]([CH]=CS1)C)O[C]1[CH][CH][CH][CH][CH]1)C CC(C)[C@@H](O[C]1[CH][CH][CH][CH][CH]1)C(=O)N2C[C@@H](C(=O)NCc3sccc3C)C4(CC[NH2]CC4)C2 InChIKey=ZKNNBGJCLVAHIN-JTHBVZDNSA-N InChI=1S/C26H36N3O3S/c1-18(2)23(32-20-7-5-4-6-8-20)25(31)29-16-21(26(17-29)10-12-27-13-11-26)24(30)28-15-22-19(3)9-14-33-22/h4-9,14,18,21,23H,10-13,15-17,27H2,1-3H3,(H,28,30)/t21-,23+/m0/s1 InChI=1/C26H36N3O3S/c1-18(2)23(32-20-7-5-4-6-8-20)25(31)29-16-21(26(17-29)10-12-27-13-11-26)24(30)28-15-22-19(3)9-14-33-22/h4-9,14,18,21,23H,10-13,15-17,27H2,1-3H3,(H,28,30)/t21-,23+/m0/s1/f/h28H 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0.00322 0.00302 0.21838 0.06708 0.06303 16.02 23.05 29.02 37.46 43.42 63.30 71.20 77.96 84.79 91.08 112.08 131.95 139.27 148.21 194.15 219.02 232.13 265.95 286.62 298.13 310.04 341.65 345.63 352.15 363.65 380.03 395.92 420.57 428.44 455.78 479.72 501.28 519.69 553.28 568.46 612.19 619.67 634.56 657.17 672.77 673.97 677.31 695.97 716.38 763.48 785.04 824.88 840.31 861.93 887.84 934.59 946.06 970.63 972.02 1041.86 1054.35 1075.02 1119.92 1160.37 1175.99 1199.59 1202.85 1228.01 1242.48 1253.67 1263.89 1279.15 1300.98 1339.25 1350.71 1361.23 1363.88 1372.57 1383.89 1417.94 1463.91 1474.00 1493.91 1504.17 1506.92 1510.22 1526.34 1549.48 1560.10 1568.03 1577.66 1588.52 1598.93 1606.65 1613.16 1614.95 1616.82 1635.77 1646.70 1675.09 1689.56 1693.07 1699.19 1714.48 1744.85 1753.72 1770.64 1789.40 1793.46 1832.91 1839.48 1849.20 1856.61 1881.30 1895.90 1910.17 1915.47 1921.69 1935.39 1951.38 1969.50 1993.94 2014.15 2030.50 2042.14 2079.37 2085.63 2095.71 2103.64 2114.60 2127.60 2139.55 2155.93 2176.75 2185.81 2192.48 2206.47 2212.33 2229.61 2242.75 2244.54 2254.67 2262.98 2267.80 2268.41 2278.24 2300.69 2324.90 2333.58 2342.95 2344.52 2349.49 2358.88 2359.76 2365.34 2369.75 2375.08 2387.83 2388.11 2401.96 2402.15 2413.69 2432.75 2465.35 2567.12 2591.40 2593.35 2629.48 2788.12 2789.12 4594.81 4602.50 4605.68 4625.62 4629.67 4650.67 4665.40 4675.10 4684.83 4690.83 4702.23 4704.31 4707.64 4708.08 4721.19 4723.14 4723.34 4728.27 4761.47 4763.59 4776.37 4777.75 4781.94 4799.77 4808.50 4817.04 4829.22 4849.56 4862.28 4882.02 4885.09 4901.47 4950.29 5255.63 5361.89 5584.70 0.641481 0.672165 0.673109 0.574965 -1790.159204 -1790.128520 -1790.127576 -1790.225719 3.291732D-04 MUNgauss RevisionA2.0 retrievium 01-Dec-2020 DUDE Cc1ccsc1CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H](C(C)C)Oc4ccccc4 C39677326 RHF 6-31G(d) (6D,10F) C1 470.247739 |X|Y|Z| 44.525597 54.628803 113.884401 65.187635 27 6 7 8 16 22 3 1 1 |36.858105| |12.640254|36.858105| |7.418653|13.153965|36.858105| |5.102338|8.167348|14.235794|36.858105| |4.703416|7.415358|7.482017|11.013863|388.023441| |7.443190|14.116702|8.202933|7.640033|77.322794|36.858105| |5.929185|7.379346|5.018238|4.808234|48.043350|12.637081|36.858105| |4.609504|5.401089|4.116678|4.093777|40.109257|7.721593|13.085492|53.358707| |3.507238|4.079179|3.394896|3.552756|35.359730|5.520207|7.724008|19.230187|36.858105| |3.181627|3.725635|3.187217|3.417814|34.786676|5.027362|6.776646|11.553175|15.845860|73.516695| |2.960309|3.327096|2.899373|3.030821|27.835648|4.116026|4.996381|10.666962|12.501066|14.224997|36.858105| |3.070195|3.340466|2.875335|2.917728|25.589791|3.982407|4.795454|10.298130|8.867387|10.504763|17.534742|0.500000| |2.442465|2.671814|2.377524|2.483167|22.050831|3.193323|3.829712|7.021708|7.455351|11.713313|12.415478|0.246485|36.858105| |2.173255|2.376017|2.178654|2.295218|19.754233|2.760153|3.115153|5.437045|5.164411|8.334825|8.116987|0.189831|13.025587|53.358707| |2.290815|2.541522|2.364956|2.514409|21.459778|2.934219|3.179787|5.597553|5.051010|7.770124|8.071685|0.200045|7.889265|17.901107|36.858105| |2.725079|3.142762|2.889076|3.131376|28.354068|3.796357|4.113927|7.675533|7.363906|10.537833|12.230937|0.246982|7.840565|11.070896|12.390378|36.858105| |3.031136|3.556987|3.338298|3.617791|31.371039|4.170672|4.161309|7.482254|5.865462|8.309779|7.424749|0.199069|5.002774|6.975999|7.420416|12.391988|36.858105| |2.634352|3.088716|3.082943|3.443439|28.043752|3.469280|3.290874|5.349260|4.152131|6.485496|4.840006|0.128185|3.832774|5.694677|5.927328|7.451039|12.499460|36.858105| |2.507537|3.008861|3.074706|3.611418|30.465061|3.449575|3.229042|5.022924|4.035319|6.747073|4.377855|0.108726|3.633242|5.292717|5.039497|6.481457|7.717565|12.673534|53.358707| |2.288479|2.709820|2.834198|3.324117|26.511312|3.016663|2.795507|4.222909|3.327479|5.662249|3.568900|0.090806|3.089493|4.552311|4.199705|4.906761|5.686505|9.169271|25.694080|0.500000| |2.774155|3.447233|3.587127|4.410626|38.523214|4.020695|3.613352|5.458572|4.273255|7.222274|4.310399|0.106626|3.487015|4.819460|4.354542|5.888790|7.145246|9.216184|25.634067|0.327234|0.500000| |2.299646|2.710825|2.686135|3.096126|27.227414|3.175829|3.146725|4.973961|4.324553|7.581459|4.843077|0.112933|4.302641|6.482815|5.979532|7.441017|6.485613|7.620907|17.190234|0.253989|0.255436|36.858105| |2.546569|3.008047|2.847747|3.220006|30.253858|3.684794|3.878604|6.537679|6.385484|11.143058|7.423861|0.152426|6.218092|8.608309|7.510055|12.315191|7.550834|6.488237|10.506513|0.157966|0.198557|12.527482|36.858105| |1.883125|2.036317|1.894188|1.994124|16.759205|2.319513|2.574135|4.260844|3.852328|6.577197|5.169930|0.129026|7.501383|19.075283|7.866934|5.334683|3.873339|3.447746|4.498610|0.082245|0.083247|4.065309|4.825765|36.858105| |1.751493|1.891668|1.786652|1.885646|15.532266|2.122425|2.296166|3.726590|3.244608|5.527449|4.204025|0.108646|5.273855|11.636281|7.069452|4.681484|3.644527|3.436438|4.458686|0.083547|0.080719|3.980217|4.317260|15.867391|73.516695| |1.763171|1.886690|1.746903|1.828005|15.321769|2.143199|2.412446|3.878963|3.481593|6.220049|4.262849|0.106959|6.331538|10.406342|4.979226|4.034966|3.084246|2.761050|3.703980|0.068724|0.070634|3.288158|3.885715|12.408437|14.231543|36.858105| |1.874271|2.003579|1.831868|1.910052|16.223075|2.300476|2.652122|4.285562|3.935806|7.162511|4.703133|0.115726|7.557101|10.033928|4.735576|4.127671|3.121268|2.719667|3.663757|0.067278|0.071191|3.227663|3.977182|8.760826|10.402642|17.579137|0.500000| |1.613818|1.696796|1.573432|1.626138|13.317396|1.890984|2.114008|3.345667|2.868383|5.029755|3.430360|0.091236|4.633381|7.273873|3.955905|3.227231|2.625056|2.379815|3.131790|0.059071|0.059964|2.663022|3.022990|7.530382|11.322694|12.433430|0.246051|36.858105| |1.500221|1.567322|1.454660|1.499031|12.207474|1.737910|1.944779|2.998722|2.535137|4.555598|2.872046|0.076235|3.723067|5.342651|3.073648|2.669324|2.225996|2.035831|2.724201|0.051822|0.052930|2.294052|2.579389|4.903681|7.698444|7.561322|0.192372|12.446151|36.858105| |1.694079|1.757846|1.613423|1.646004|13.390367|1.946279|2.194835|3.520725|2.956035|5.004735|3.601920|0.100773|4.755450|7.168991|4.003212|3.259106|2.706705|2.397058|3.060438|0.057422|0.058888|2.522674|2.890970|6.354609|9.607874|7.537426|0.190106|12.428760|7.552246|36.858105| |1.634561|1.760761|1.653069|1.747329|14.584310|1.993616|2.203976|3.442840|3.055902|5.653982|3.544955|0.087876|4.769688|7.562943|4.152398|3.530925|2.770204|2.576761|3.582850|0.067585|0.068308|3.245912|3.670236|7.997328|11.978178|13.528843|0.259183|8.013894|6.689415|5.091742|73.516695| |1.698118|1.857624|1.755036|1.882102|15.946975|2.126970|2.335161|3.615617|3.267038|6.265789|3.678388|0.088002|4.766346|7.261859|4.196756|3.780432|2.923605|2.751513|3.981188|0.074834|0.076155|3.767758|4.268807|6.612682|10.139299|8.010352|0.199426|5.197312|4.637175|3.891373|24.822471|36.858105| |1.642404|1.810878|1.739805|1.886437|15.820766|2.058728|2.200634|3.377863|2.990876|5.657629|3.365867|0.081248|4.029354|6.443653|4.137765|3.714313|2.948774|2.905518|4.322586|0.082875|0.080975|4.217291|4.373952|5.685885|10.003220|5.652430|0.137327|4.156706|3.663914|3.284737|14.326033|13.737321|36.858105| |1.662169|1.855585|1.804216|1.986319|16.736830|2.116376|2.225675|3.345487|2.939493|5.695559|3.164715|0.075836|3.566376|5.376170|3.675499|3.553000|2.899534|2.924561|4.580212|0.088904|0.086946|4.562499|4.496571|4.280253|7.476115|4.163377|0.108724|3.232800|2.950969|2.701627|9.326689|7.951056|13.741912|36.858105| |1.744124|1.960183|1.897523|2.100502|18.037113|2.262805|2.398102|3.540860|3.140422|6.373476|3.213384|0.075909|3.580711|5.005244|3.376377|3.468402|2.835183|2.790119|4.422398|0.084601|0.087252|4.313527|4.516751|3.776653|6.264095|3.821575|0.106319|2.977757|2.800621|2.542063|8.185082|6.867528|7.911058|13.729225|36.858105| |1.810905|2.019280|1.916721|2.093672|18.215130|2.353502|2.574397|3.817179|3.464400|7.279685|3.483096|0.081362|4.071009|5.366545|3.410983|3.523492|2.813560|2.653592|4.058905|0.076100|0.081292|3.836128|4.401371|4.020012|6.305408|4.360001|0.128631|3.302353|3.173444|2.796799|9.269820|7.944268|6.865308|7.947165|13.738852|36.858105| |1.783682|1.959848|1.837946|1.975251|17.028086|2.272162|2.532869|3.859562|3.542801|7.189370|3.748031|0.087980|4.793335|6.408166|3.759931|3.670350|2.851937|2.633492|3.867578|0.072067|0.076190|3.614104|4.272804|5.101534|7.595528|6.171222|0.186076|4.307038|4.123172|3.458216|14.135667|13.734230|7.914783|6.872429|7.917536|13.738143|36.858105| |17.553177|8.893190|6.739700|4.680947|29.287798|5.799565|4.749591|5.546865|3.179175|5.064092|2.800758|0.082138|2.316133|2.857146|2.241453|2.628190|2.996196|2.638301|3.348330|0.062877|0.074837|2.222103|2.420094|1.825826|3.046703|1.696510|0.049653|1.564864|1.448505|1.651359|2.791743|1.621489|1.577676|1.590066|1.650177|1.700285|1.683442|0.500000| |17.616763|8.779306|5.470851|4.231721|30.461783|6.936409|6.687435|7.038806|3.804426|6.040156|3.171976|0.092740|2.617867|3.112150|2.374817|2.811029|3.054478|2.587921|3.323342|0.061445|0.074042|2.283694|2.582098|1.970899|3.228105|1.856478|0.055286|1.703420|1.584749|1.804649|3.029330|1.758139|1.681317|1.686350|1.770961|1.861100|1.852589|0.302256|0.500000| |17.554991|8.892266|6.584230|4.642916|29.526806|5.906225|4.895989|5.183291|3.042778|5.068210|2.584039|0.073517|2.191884|2.668892|2.045334|2.395101|2.612962|2.324651|3.065848|0.057801|0.069024|2.086247|2.285055|1.723035|2.858348|1.631043|0.048138|1.499975|1.407919|1.565838|2.710908|1.586048|1.535132|1.560477|1.644728|1.707370|1.672916|0.302563|0.302349|0.500000| |6.739807|8.572758|17.735926|8.947266|37.777032|5.722355|4.009421|4.642308|2.873924|4.813226|2.527570|0.070436|2.115568|2.671653|2.126835|2.529304|2.915490|2.754914|3.705678|0.071129|0.086313|2.381150|2.480415|1.727731|2.920206|1.599154|0.046335|1.455572|1.350932|1.495687|2.697444|1.600908|1.591721|1.646474|1.720396|1.731533|1.666434|0.188589|0.136522|0.180834|0.500000| |4.050219|5.654421|8.794390|17.783569|55.159212|5.381227|3.827312|4.631917|3.080032|5.350517|2.712725|0.072279|2.273533|2.916306|2.355851|2.874659|3.307514|3.311012|4.859080|0.094278|0.121131|3.021061|3.018183|1.887374|3.207572|1.730166|0.049799|1.543198|1.425685|1.551041|2.971139|1.806492|1.832907|1.947836|2.051334|2.013657|1.885194|0.107023|0.095667|0.106094|0.204495|0.500000| |4.726439|5.749517|4.347254|4.384492|45.358304|8.885299|17.659734|12.656024|7.555229|14.272147|4.727387|0.119728|3.842024|4.196210|3.058020|3.906524|3.743424|3.050775|4.228982|0.075148|0.096479|3.135501|3.905246|2.581427|4.063258|2.469513|0.076316|2.141446|1.993890|2.187331|4.060948|2.453905|2.292237|2.341770|2.582161|2.818601|2.730690|0.107308|0.143418|0.116959|0.098499|0.100202|0.500000| |6.762198|6.974801|4.613557|4.147614|36.375764|8.943237|17.634464|12.489476|5.948817|9.381511|4.279121|0.119882|3.439435|3.840208|2.842534|3.499888|3.554519|2.868499|3.766720|0.067828|0.084264|2.696719|3.239718|2.371977|3.776292|2.253547|0.068866|2.015234|1.871085|2.119986|3.643723|2.137447|2.003421|2.007389|2.148395|2.315616|2.307257|0.144742|0.245460|0.154763|0.107077|0.093646|0.304076|0.500000| |4.755084|5.280344|4.043544|3.892253|34.979842|6.710532|9.032430|26.071571|9.387386|10.861674|7.489329|0.239156|4.878563|5.366005|4.193855|5.560707|5.882696|4.074422|4.919176|0.084973|0.106945|3.472363|4.392210|3.084306|4.857123|2.760204|0.083366|2.427758|2.154694|2.609487|4.306892|2.497672|2.351251|2.301671|2.385670|2.539129|2.602113|0.122013|0.150185|0.106120|0.095021|0.090590|0.180414|0.218077|0.500000| |2.368837|2.616102|2.340668|2.473427|22.333750|3.162572|3.810349|6.610459|7.252576|13.663943|8.820238|0.175746|17.643517|12.244498|6.089390|6.503358|4.347230|3.499374|4.777822|0.083553|0.095164|4.301602|6.308929|6.621123|8.482454|6.409109|0.230402|4.462476|3.780151|4.263281|9.235279|5.562142|4.461653|4.008443|4.213279|5.103936|6.141312|0.061643|0.070161|0.059767|0.057681|0.063153|0.111365|0.094027|0.120943|0.500000| |2.387509|2.540498|2.237285|2.290117|19.845018|2.977364|3.629430|6.514353|6.260038|9.804223|8.772866|0.225181|17.599099|12.240601|6.012023|5.708997|4.179945|3.272185|4.158571|0.073831|0.082215|3.469325|4.615144|6.490814|8.370828|6.157685|0.214886|4.936145|4.002189|5.525927|7.895353|4.175692|3.484752|3.068828|3.086450|3.538398|4.217431|0.063036|0.072187|0.059729|0.055826|0.058138|0.100408|0.094168|0.129476|0.301057|0.500000| |2.086361|2.319732|2.207661|2.373603|19.898444|2.641252|2.785871|4.677612|4.101648|6.652699|5.703188|0.142753|5.814101|12.504412|17.655849|8.584474|6.229889|5.969362|7.246715|0.127570|0.121526|6.659148|7.025340|7.551124|14.390747|4.752024|0.119519|3.808286|2.975135|3.681046|7.522434|4.352625|4.606734|4.062346|3.548210|3.431168|3.729880|0.056942|0.059349|0.052286|0.055606|0.062891|0.075282|0.069453|0.096290|0.139239|0.129678|0.500000| |2.295052|2.498984|2.318485|2.418787|20.049254|2.820767|3.037817|5.339147|4.501889|6.740678|6.919050|0.204469|6.413696|12.321532|17.511774|8.762684|7.108095|5.643254|6.020150|0.105473|0.107760|4.737687|5.492567|6.411200|10.918904|4.348146|0.114851|3.740209|2.910282|4.020339|6.375422|3.490878|3.427672|3.063840|2.833813|2.871426|3.156806|0.063277|0.066332|0.056643|0.058485|0.062838|0.079395|0.077050|0.116499|0.136294|0.153751|0.303170|0.500000| |3.008038|3.387373|3.139492|3.264936|26.848608|3.813549|3.860445|6.945615|5.135563|7.184342|6.706161|0.211499|4.705970|6.647708|6.969211|8.777135|17.561451|8.987620|7.639321|0.127081|0.144865|4.878734|5.490265|3.743719|6.329571|2.982188|0.083373|2.615577|2.204543|2.779082|4.672550|2.692098|2.684980|2.586642|2.508217|2.514951|2.599600|0.084434|0.085183|0.071601|0.077745|0.082852|0.094673|0.095402|0.164093|0.109738|0.115182|0.158792|0.220593|0.500000| |3.604773|4.442888|4.105898|4.495010|40.795837|5.409732|5.138986|9.226662|6.555943|9.085653|6.899894|0.183953|4.535321|5.842536|5.463919|8.800257|17.555177|8.940081|9.466497|0.145508|0.210281|5.648682|6.706488|3.335162|5.506965|2.785651|0.079961|2.388529|2.072700|2.462908|4.497321|2.692633|2.687829|2.696844|2.715571|2.720732|2.705863|0.097813|0.099645|0.084468|0.096280|0.109920|0.123466|0.117134|0.199702|0.113845|0.107822|0.130771|0.145059|0.303559|0.500000| |2.320757|2.645115|2.629453|2.882064|23.015992|2.926041|2.845681|4.605133|3.636863|5.769285|4.408548|0.118490|3.729331|5.908578|6.414989|6.653963|8.724660|17.622416|12.435390|0.222601|0.181051|7.030417|5.744824|3.688582|6.817843|2.873730|0.076731|2.496564|2.106338|2.505065|4.774374|2.829354|3.039728|2.996950|2.767349|2.606888|2.628989|0.064851|0.063890|0.057537|0.066480|0.077799|0.074232|0.070371|0.097808|0.093643|0.089147|0.197860|0.174534|0.213009|0.173369|0.500000| |2.725447|3.195979|3.286338|3.653876|27.896597|3.459211|3.155448|4.946500|3.639702|5.712003|4.029227|0.110735|3.230268|4.667640|4.537958|5.445739|8.772874|17.626929|12.358170|0.223912|0.222538|5.583714|4.875362|2.905385|5.170201|2.398280|0.065921|2.114308|1.835278|2.148468|3.998911|2.381131|2.501959|2.534528|2.443016|2.330594|2.300686|0.077267|0.073058|0.066673|0.082649|0.098928|0.080111|0.077425|0.106496|0.082669|0.079104|0.125770|0.126165|0.212301|0.217259|0.301040|0.500000| |2.083288|2.397302|2.372079|2.671039|22.557365|2.743669|2.749540|4.355972|3.743594|6.481942|4.400052|0.106017|4.142142|6.770153|6.452554|6.621788|5.729024|7.016071|12.416956|0.222579|0.180917|17.638965|8.703443|4.454300|8.208676|3.468311|0.091285|2.821068|2.389673|2.643612|6.141026|3.949283|4.624109|4.809821|4.199748|3.676413|3.581502|0.056475|0.057759|0.052728|0.059389|0.072804|0.075722|0.066997|0.086389|0.112533|0.094043|0.231354|0.141411|0.128797|0.131779|0.213699|0.144216|0.500000| |2.184170|2.582609|2.597822|3.041740|26.636269|3.012733|2.953586|4.476046|3.843122|7.088038|4.035959|0.095003|3.721403|5.415402|4.576961|5.444157|4.878192|5.587060|12.338042|0.223127|0.222496|17.634576|8.807946|3.559004|6.199764|3.027688|0.083054|2.467828|2.176605|2.304057|5.502125|3.697485|4.241614|4.978744|4.857233|4.082863|3.636958|0.058243|0.059871|0.055775|0.064179|0.084021|0.083629|0.070523|0.085382|0.107684|0.085342|0.139596|0.104603|0.107560|0.127103|0.144333|0.126394|0.301444|0.500000| |2.811573|3.427979|3.226603|3.739888|38.140027|4.388445|4.587689|7.488420|7.366449|13.926076|6.887946|0.142852|5.477495|6.799253|5.500476|8.749539|6.681496|5.637797|9.448577|0.145347|0.209728|8.951393|17.601165|3.949915|6.259961|3.399244|0.099590|2.707541|2.379049|2.612770|5.760542|3.769990|3.774872|4.018248|4.317268|4.307922|4.001523|0.072846|0.078737|0.070020|0.076370|0.095815|0.131713|0.102151|0.131805|0.162125|0.118210|0.140395|0.122745|0.137185|0.192802|0.131844|0.126704|0.173288|0.218568|0.500000| |2.308024|2.666170|2.511480|2.797160|25.696741|3.224571|3.495289|5.761478|5.763373|10.922580|6.707009|0.137706|6.879473|9.702473|7.088758|8.732124|5.492653|4.881134|7.645656|0.127141|0.145064|9.016840|17.615545|5.681397|8.665225|4.653489|0.132717|3.421582|2.910873|3.148443|8.016218|5.585256|5.613244|5.686091|5.743640|5.714093|5.618618|0.060716|0.065619|0.058283|0.061497|0.073320|0.100719|0.082945|0.106739|0.215210|0.137786|0.190463|0.141192|0.122920|0.137663|0.129085|0.107556|0.212635|0.213379|0.306279|0.500000| |1.525972|1.606993|1.505322|1.560428|12.651915|1.777669|1.954496|3.071459|2.599393|4.541473|3.107288|0.083142|3.986793|6.592873|3.823396|3.054098|2.531566|2.352716|3.093997|0.059030|0.058628|2.624785|2.882019|7.060779|12.574774|9.027987|0.175652|17.572362|8.883384|8.887177|13.172119|4.914116|4.219724|3.235469|2.883794|3.082640|3.894862|0.041341|0.044418|0.039453|0.038848|0.041415|0.054718|0.051665|0.062306|0.106009|0.113448|0.106687|0.101460|0.070239|0.063431|0.069725|0.058165|0.078899|0.067630|0.071029|0.089766|0.500000| |1.560846|1.625056|1.495941|1.535741|12.576930|1.809195|2.052599|3.155299|2.674330|4.848620|2.970255|0.078658|3.886494|5.230178|2.987184|2.672979|2.224646|2.006215|2.689768|0.050871|0.052814|2.255257|2.582355|4.500335|6.804303|6.807856|0.204476|8.762004|17.515539|6.837587|10.373457|4.393718|3.410273|2.830941|2.776337|3.237971|4.210237|0.041623|0.046091|0.040740|0.038501|0.040364|0.058872|0.055135|0.062520|0.111792|0.119668|0.078622|0.078413|0.061079|0.058238|0.056897|0.050378|0.064146|0.059605|0.067216|0.080844|0.173155|0.500000| |1.413391|1.464888|1.362942|1.396946|11.240818|1.608006|1.787266|2.734640|2.265841|4.031698|2.550071|0.069002|3.182315|4.572898|2.737567|2.384363|2.036211|1.875793|2.491392|0.047727|0.048451|2.062615|2.283151|4.071471|6.702138|5.502351|0.141126|8.825263|17.560241|6.934391|8.857101|3.715543|3.103554|2.563202|2.428639|2.692923|3.345294|0.038089|0.041455|0.036944|0.035361|0.036982|0.050570|0.048162|0.055085|0.088021|0.095704|0.073942|0.073673|0.056613|0.052794|0.054074|0.047431|0.059804|0.054402|0.058812|0.070167|0.212814|0.301901|0.500000| |1.439637|1.512885|1.414510|1.467048|11.943488|1.678176|1.861588|2.839145|2.404655|4.392624|2.683264|0.070196|3.416451|4.941460|2.902440|2.550334|2.131408|1.979097|2.691628|0.051527|0.052275|2.289019|2.537667|4.562615|7.386461|6.895883|0.171273|8.764573|17.613866|5.486047|13.439174|5.155235|4.030647|3.202388|3.016390|3.414029|4.488054|0.038554|0.041988|0.037675|0.036507|0.038962|0.053390|0.049481|0.056245|0.099126|0.098174|0.079759|0.075163|0.057962|0.055275|0.056912|0.049553|0.066431|0.061152|0.065120|0.080459|0.212861|0.300963|0.301674|0.500000| |1.767081|1.838187|1.689135|1.723190|13.990415|2.032560|2.276372|3.712976|3.104042|5.119806|3.943881|0.113182|5.082840|8.267926|4.715074|3.636158|3.024419|2.660929|3.318381|0.062013|0.063185|2.713805|3.100588|7.125763|11.121548|6.791190|0.166662|8.703297|5.472097|17.548337|8.304766|3.729516|3.269655|2.705718|2.516211|2.711397|3.276005|0.048157|0.052178|0.045045|0.043470|0.045069|0.062161|0.060798|0.077699|0.119634|0.160479|0.118615|0.137410|0.087875|0.074910|0.078256|0.065851|0.079845|0.067598|0.076545|0.092076|0.212929|0.139134|0.141634|0.122289|0.500000| |1.572523|1.617277|1.491056|1.513617|12.145562|1.769381|1.976795|3.114788|2.552923|4.336556|3.020777|0.085619|3.759836|5.564067|3.328930|2.775052|2.382794|2.144682|2.738484|0.051945|0.052864|2.222239|2.489719|4.786328|7.827749|5.494028|0.140486|8.821199|6.964475|17.576144|7.477375|3.297259|2.860812|2.393509|2.254165|2.452307|2.961790|0.042773|0.046459|0.040592|0.038667|0.039767|0.054605|0.053550|0.064477|0.095576|0.119099|0.086839|0.094574|0.068435|0.060747|0.062365|0.054141|0.064732|0.056901|0.063241|0.074326|0.212073|0.171293|0.210570|0.141867|0.303052|0.500000| |1.795596|1.853144|1.680541|1.704559|13.963877|2.062423|2.371814|3.821909|3.217157|5.438635|3.860670|0.108640|5.204143|7.031251|3.876490|3.306186|2.735652|2.370781|3.032511|0.056472|0.059107|2.486161|2.916670|5.616716|8.096265|6.805408|0.202201|8.741632|6.801955|17.512375|8.280779|3.730995|3.092991|2.605191|2.519399|2.832642|3.494481|0.048321|0.053664|0.046057|0.043135|0.044295|0.065860|0.064112|0.078339|0.129647|0.183692|0.096008|0.107504|0.077928|0.070259|0.067549|0.059235|0.070870|0.063251|0.074558|0.087949|0.173063|0.201629|0.169235|0.139238|0.300232|0.302574|0.500000| |1.565780|1.715287|1.655334|1.785670|14.726138|1.927617|2.043255|3.143875|2.729742|5.022866|3.133077|0.077550|3.694788|6.198251|4.111036|3.515757|2.859215|2.871990|4.180459|0.081418|0.077018|3.966996|3.947358|5.764109|11.415239|5.422163|0.124692|4.243055|3.640044|3.337877|13.195668|8.973292|17.745998|8.845107|5.619076|4.950600|5.653667|0.042110|0.044453|0.040624|0.042335|0.048375|0.058334|0.052050|0.061761|0.108120|0.090446|0.132436|0.096712|0.073499|0.071377|0.085713|0.068942|0.126709|0.108270|0.093541|0.132848|0.126828|0.091145|0.087374|0.110843|0.093694|0.081680|0.084764|0.500000| |1.593886|1.781354|1.755015|1.941393|16.078957|2.009909|2.074508|3.089988|2.653382|5.054932|2.848977|0.069467|3.097401|4.713695|3.382777|3.272426|2.774943|2.901158|4.617865|0.092480|0.086746|4.513673|4.099555|3.712357|6.772837|3.504920|0.090828|2.847630|2.601197|2.430069|7.537602|5.654787|8.933463|17.703710|8.903410|5.646721|4.951051|0.042589|0.044587|0.041657|0.044733|0.053492|0.060106|0.052096|0.059585|0.093647|0.074895|0.106347|0.079815|0.068888|0.071619|0.083456|0.070461|0.135909|0.141203|0.102174|0.134635|0.080735|0.068890|0.064107|0.077894|0.068344|0.060674|0.064683|0.213370|0.500000| |1.729563|1.956409|1.917217|2.144308|18.310364|2.249485|2.341513|3.379055|2.931253|5.970925|2.914581|0.069603|3.116092|4.287139|2.992824|3.158754|2.677908|2.679960|4.343102|0.084417|0.087324|4.110676|4.129700|3.160770|5.323553|3.154406|0.088397|2.551300|2.423751|2.231815|6.497233|4.949286|5.631567|8.893160|17.716457|8.907612|5.636872|0.045372|0.048389|0.045577|0.048339|0.058769|0.070369|0.058169|0.063082|0.099865|0.075529|0.087128|0.071014|0.065596|0.072468|0.072968|0.066131|0.108378|0.135053|0.114271|0.136515|0.068956|0.067116|0.059427|0.071923|0.061647|0.055664|0.061740|0.123543|0.214300|0.500000| |1.852015|2.066425|1.954395|2.133227|18.665057|2.417970|2.661205|3.844991|3.450037|7.501418|3.299387|0.077591|3.741631|4.709414|3.038799|3.237425|2.648406|2.476525|3.782568|0.070960|0.077545|3.445087|3.981527|3.422965|5.371468|3.720871|0.113187|2.934822|2.885573|2.558029|7.487236|5.653257|4.948568|5.647215|8.907452|17.723426|8.934598|0.047891|0.052918|0.048825|0.048947|0.056821|0.082741|0.066574|0.070111|0.130464|0.092359|0.083279|0.072449|0.065933|0.072771|0.066573|0.061271|0.089532|0.102501|0.114057|0.135828|0.075451|0.083672|0.068963|0.085184|0.068610|0.062956|0.073256|0.107495|0.124068|0.214664|0.500000| 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