Version2.2 2021-02-11T19:25:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 08-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)[C@@H]1CCc2c(sc(c2C(=O)N)NC(=O)[C@H]3CCC[NH+](C3)CCC#N)C1 C62039398 RHF 6-31G(d) (6D,7F) CC(C)(C)[C@@H]1CCc2c(sc(c2C(=O)N)NC(=O)[C@H]3CCC[NH+](C3)CCC#N)C1 C01[X(C22H33N4O2S1)] 180 C1 505 N#CCC[NH+]1CCC[C@@H](C1)C(=O)Nc1sc2c(c1C(=O)N)CC[C@H](C2)C(C)(C)C N#CCC[NH+]1CCC[C@@H](C1)C(=O)Nc1sc2c(c1C(=O)N)CC[C@H](C2)C(C)(C)C CC(C)(C)[C@@H]1CCc2c(C1)sc(NC(=O)[C@H]3CCC[NH+](CCC#N)C3)c2C(N)=O InChIKey=NCUAZTDBTHSBEO-LSDHHAIUSA-O InChI=1S/C22H32N4O2S/c1-22(2,3)15-7-8-16-17(12-15)29-21(18(16)19(24)27)25-20(28)14-6-4-10-26(13-14)11-5-9-23/h14-15H,4-8,10-13H2,1-3H3,(H2,24,27)(H,25,28)/p+1/t14-,15+/m0/s1 InChI=1/C22H32N4O2S/c1-22(2,3)15-7-8-16-17(12-15)29-21(18(16)19(24)27)25-20(28)14-6-4-10-26(13-14)11-5-9-23/h14-15H,4-8,10-13H2,1-3H3,(H2,24,27)(H,25,28)/p+1/t14-,15+/m0/s1/fC22H33N4O2S/h25-26H,24H2/q+1 CC(C)(C)[C@@H]1CCc2c(sc(c2C(=O)N)NC(=O)[C@H]3CCC[NH+](C3)CCC#N)C1 C01[X(C22H33N4O2S1)] 180 C01 505 N#CCC[NH+]1CCC[C@@H](C1)C(=O)Nc1sc2c(c1C(=O)N)CC[C@H](C2)C(C)(C)C N#CCC[NH]1CCC[C@@H](C1)C(=O)N[C]1SC2=[C]([C]1[C]([O])[NH2])CC[C@H](C2)C(C)(C)C CC(C)(C)[C@@H]1CCC2=C(C1)S[C](NC(=O)[C@H]3CCC[NH](CCC#N)C3)[C]2[C](N)[O] InChIKey=JVHMGSVBQDPYIZ-LSDHHAIUSA-N InChI=1S/C22H33N4O2S/c1-22(2,3)15-7-8-16-17(12-15)29-21(18(16)19(24)27)25-20(28)14-6-4-10-26(13-14)11-5-9-23/h14-15,26H,4-8,10-13H2,1-3H3,(H2,24,27)(H,25,28)/t14-,15+/m0/s1 InChI=1/C22H33N4O2S/c1-22(2,3)15-7-8-16-17(12-15)29-21(18(16)19(24)27)25-20(28)14-6-4-10-26(13-14)11-5-9-23/h14-15,26H,4-8,10-13H2,1-3H3,(H2,24,27)(H,25,28)/t14-,15+/m0/s1/f/h25H,24H2 2918.6010737370 -1617.1841696 1-A 22163.6999 112 393 505 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 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-0.49315 -0.49235 -0.42513 -0.37917 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01608 0.02101 0.05818 0.07727 0.08272 0.09297 0.09426 0.09994 0.10268 0.10597 0.11295 0.11621 0.13230 0.14624 0.15165 0.15331 0.15809 0.15969 0.16258 0.17837 0.18431 0.19039 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0.8374 0.8194 0.8210 0.4677 0.6325 0.8450 0.3826 0.2322 0.7168 0.8570 0.8473 0.8571 0.8567 0.8545 0.6214 0.8387 0.8495 0.8149 0.8544 0.8570 0.4648 0.8210 0.8157 0.5128 0.8358 0.6961 0.4783 0.4077 0.4396 0.3262 0.5147 0.0651 0.4074 0.3454 0.0987 0.2551 0.1327 0.1541 0.6392 0.3277 0.7882 0.1395 0.6753 0.7402 0.8214 0.5739 0.6185 0.8505 0.7861 0.3002 0.2787 0.6532 0.5893 0.1688 0.8161 0.8458 0.8498 0.8262 0.4084 0.2315 0.2931 0.8449 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 57 58 59 60 61 62 6 6 6 6 6 1 6 6 6 6 16 6 6 6 8 7 7 6 8 6 1 6 6 6 7 1 6 6 6 6 7 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 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783 1.00783 1.00783 5628.1901 34256.0912 38763.8160 0.99991 0.01369 0.00109 -0.01369 0.99991 0.00160 -0.00106 -0.00162 1.00000 1 0.01539 0.00253 0.00223 0.32066 0.05268 0.04656 13.39 30.44 39.17 65.22 74.30 82.32 89.30 102.96 126.52 145.99 167.87 176.70 200.74 228.18 247.78 263.02 288.75 303.54 320.70 357.37 368.10 402.33 407.61 419.51 434.63 447.44 459.50 484.25 495.98 517.30 534.33 535.68 558.73 565.94 595.69 602.17 605.12 632.65 652.69 688.84 713.83 769.56 769.81 788.38 796.52 846.72 867.62 878.94 921.81 951.58 971.57 1026.96 1037.67 1089.14 1155.89 1197.89 1202.06 1222.97 1233.85 1265.60 1274.59 1295.77 1318.52 1348.66 1384.30 1400.22 1427.17 1445.71 1457.41 1461.37 1473.62 1476.01 1507.50 1510.96 1530.64 1538.22 1549.39 1564.93 1588.43 1602.35 1635.12 1644.37 1655.76 1711.75 1715.65 1726.47 1742.31 1748.70 1758.72 1787.87 1795.94 1831.46 1851.92 1895.26 1912.92 1940.22 1949.16 1979.59 1999.82 2009.14 2014.32 2028.35 2040.61 2056.72 2067.43 2099.17 2108.36 2115.99 2118.52 2125.36 2149.01 2175.72 2180.73 2198.40 2206.66 2209.67 2234.34 2239.75 2243.57 2246.00 2246.82 2262.97 2280.63 2288.06 2330.43 2334.06 2341.10 2345.81 2348.97 2350.61 2354.35 2354.88 2355.56 2357.05 2370.62 2372.50 2381.73 2385.17 2387.64 2390.52 2401.61 2532.60 2567.12 2587.95 2707.65 2803.87 3791.62 4551.05 4567.04 4603.40 4607.34 4609.34 4619.40 4622.09 4625.46 4636.32 4641.47 4667.39 4687.98 4688.75 4689.88 4698.31 4701.40 4705.53 4711.78 4713.85 4715.30 4719.69 4727.53 4732.73 4741.76 4747.23 4759.92 4805.55 4808.14 4853.65 5293.90 5321.44 5540.79 5750.78 0.579282 0.607227 0.608171 0.518312 -1616.604887 -1616.576943 -1616.575999 -1616.665858 3.013886D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE CC(C)(C)[C@@H]1CCc2c(sc(c2C(=O)N)NC(=O)[C@H]3CCC[NH+](C3)CCC#N)C1 C62039398 RHF 6-31G(d) (6D,10F) C1 417.232423 |X|Y|Z| 54.112877 22.272317 136.891385 54.846305 17 6 7 16 14 2 1 |36.858105| |12.386408|36.858105| |7.617926|12.372796|36.858105| |7.616396|12.376263|7.676793|36.858105| |7.394270|12.209723|7.534359|7.500923|36.858105| |5.486215|8.915978|7.273873|6.832702|17.484830|0.500000| |6.245792|7.315619|6.054820|4.840350|12.396038|0.248247|36.858105| |4.192510|4.830189|4.324681|3.751568|7.494944|0.198601|12.434334|36.858105| |3.769142|4.291508|3.622648|3.638405|6.566292|0.174888|7.573375|12.591855|36.858105| |4.210175|4.862672|3.785078|4.321191|7.594416|0.189895|6.864693|7.701182|14.198116|36.858105| |3.208807|3.519791|2.871370|3.415832|4.602152|0.122201|4.236501|4.740221|7.405096|10.951818|388.023441| |2.753355|2.989957|2.579882|2.794123|3.888284|0.106523|3.978923|5.024029|8.166669|7.716839|78.542588|36.858105| |2.946281|3.237193|2.844711|2.890975|4.385352|0.121130|4.870334|7.143519|13.048344|8.177965|52.519144|13.966821|36.858105| |2.508561|2.714789|2.497728|2.425833|3.478248|0.097863|3.990467|5.750091|7.169899|5.058122|33.884891|7.710771|12.802313|36.858105| |2.193909|2.335936|2.158795|2.132720|2.880860|0.080667|3.207246|4.223783|5.103391|4.064906|29.921197|6.751543|8.050403|15.619894|73.516695| |2.506463|2.731094|2.601022|2.391936|3.466458|0.099226|4.147709|6.191882|6.237574|4.377245|27.126298|5.204305|7.823505|14.209970|15.289028|53.358707| |2.303838|2.457322|2.172134|2.339905|3.029587|0.083677|3.101859|3.763642|5.192885|4.962201|49.364083|13.700914|7.829031|6.587135|12.912706|6.149482|53.358707| |2.111306|2.234161|1.974358|2.184607|2.665902|0.073566|2.649763|3.053145|3.988861|4.094898|42.711881|7.779485|5.159747|4.508839|8.823295|4.677395|19.315698|36.858105| |2.171785|2.298362|2.003504|2.297677|2.710211|0.074423|2.609725|2.905907|3.776327|4.147379|46.676159|6.601758|4.489689|3.755865|6.942205|4.076066|11.463341|15.873667|73.516695| |1.814849|1.902733|1.717352|1.860613|2.215680|0.061446|2.231663|2.550167|3.135857|3.117499|28.859539|5.064708|3.949503|3.839608|8.021314|4.151559|10.753110|12.456699|14.266707|36.858105| |1.790307|1.856692|1.682451|1.792353|2.158663|0.059368|2.220144|2.549586|3.090715|2.999188|26.650216|4.821527|3.933848|3.987412|8.708230|4.293932|9.990285|8.903563|10.851311|17.503833|0.500000| |1.697454|1.804071|1.656410|1.768541|2.094963|0.059267|2.105298|2.427505|2.915480|2.837791|24.900178|4.373362|3.648063|3.728470|7.867035|4.150461|8.426770|7.503639|10.070478|12.376734|0.245566|36.858105| |1.498144|1.577013|1.463622|1.549189|1.795834|0.050660|1.812201|2.054028|2.381856|2.318189|19.561910|3.271104|2.868723|2.995313|6.267976|3.488499|5.770180|4.901954|7.309027|7.543773|0.188512|12.456357|36.858105| |1.429020|1.493473|1.380151|1.483113|1.678185|0.047040|1.674866|1.858427|2.145484|2.139534|18.245394|2.889356|2.507163|2.530791|5.111254|2.983740|4.927852|4.409924|7.122471|6.476529|0.157678|7.542313|12.504550|36.858105| |1.497183|1.548434|1.415725|1.535524|1.739601|0.048152|1.739109|1.916422|2.233906|2.253946|19.636904|3.072310|2.608025|2.578417|5.189203|2.999178|5.310619|4.997800|8.192691|7.647388|0.191697|6.509173|7.682617|12.645698|53.358707| |1.485016|1.527058|1.399758|1.500610|1.717221|0.047338|1.738370|1.923781|2.228475|2.218001|19.007599|3.040500|2.621386|2.641869|5.412204|3.071642|5.277333|4.733678|7.453353|7.286943|0.214898|6.049752|7.337079|9.385130|25.686919|0.500000| |1.690655|1.755806|1.582651|1.743990|1.998727|0.055125|1.982912|2.195068|2.637286|2.706736|24.909792|3.890141|3.123238|2.973047|5.923372|3.360674|7.057362|7.740025|12.817968|12.470541|0.246212|7.533983|6.503438|7.649435|17.208495|0.259844|36.858105| |1.398757|1.435232|1.313373|1.434312|1.587764|0.043758|1.577473|1.706464|1.960177|2.003165|17.198984|2.575092|2.221474|2.172370|4.263509|2.579242|4.216359|3.828253|6.731547|4.950990|0.129182|4.346847|4.955847|7.540279|17.252451|0.263436|7.565004|36.858105| |1.381841|1.424620|1.302306|1.442730|1.564817|0.043300|1.531203|1.639849|1.881325|1.953087|16.832318|2.432195|2.093986|2.013128|3.866288|2.410591|3.870922|3.523739|6.560978|4.197134|0.104202|3.849842|4.165269|6.049992|10.168718|0.157250|6.166554|12.431276|36.858105| |1.282503|1.312244|1.203861|1.332339|1.423723|0.039256|1.393320|1.475120|1.668304|1.734345|14.626565|2.082452|1.826267|1.758975|3.346022|2.136324|3.223131|2.823705|5.270834|3.221731|0.083276|2.980144|3.218504|4.289561|6.818225|0.119153|4.305432|7.830424|12.965326|36.858105| |1.211468|1.233598|1.135209|1.253835|1.327741|0.036539|1.300200|1.366947|1.531173|1.591334|13.221804|1.869679|1.659573|1.601533|3.028767|1.963017|2.847906|2.439514|4.544159|2.724479|0.071742|2.537456|2.728468|3.469699|5.356239|0.098324|3.466729|5.613170|7.320515|16.809634|53.358707| |5.875314|7.326983|4.865310|6.439652|12.369490|0.249148|7.652535|6.330059|7.465894|12.638780|48.055986|4.832102|5.021085|3.683499|5.499902|4.659232|4.908421|3.196483|5.945344|2.552846|0.068257|2.352718|1.982289|1.865758|2.669279|0.053421|2.307984|1.784839|1.764698|1.593305|2.010221|36.858105| |17.563746|8.702553|6.956209|5.499278|6.624368|0.139705|6.873696|4.452938|3.792621|4.005584|21.603935|2.712178|2.972288|2.578721|3.991713|3.565582|3.100013|2.064175|3.719348|1.788746|0.049497|1.674468|1.483037|1.407206|2.006089|0.040869|1.655331|1.373298|1.346117|1.249863|1.608077|5.128848|0.500000| |17.550860|8.688385|5.492186|6.804917|6.723418|0.137799|5.705651|4.055397|3.874014|4.526078|25.044668|2.924485|3.054111|2.553356|3.999325|3.390247|3.320828|2.251715|4.161922|1.917507|0.052516|1.768234|1.555624|1.492184|2.148305|0.043451|1.796322|1.478055|1.460383|1.355219|1.741093|6.455445|0.301517|0.500000| |17.551032|8.802854|6.942712|7.085353|5.424084|0.123600|4.678941|3.413014|3.113468|3.438602|19.659738|2.394469|2.527938|2.197148|3.468214|2.997580|2.787683|1.903410|3.493934|1.657002|0.045358|1.557518|1.387564|1.331494|1.894615|0.038302|1.559495|1.310412|1.300478|1.214949|1.569130|4.558334|0.302862|0.302873|0.500000| |6.976180|8.781453|17.554128|7.074253|5.474023|0.146033|4.606499|3.488021|3.027951|3.189026|18.020074|2.274796|2.461625|2.190182|3.423916|3.086752|2.656244|1.798460|3.261134|1.579782|0.043004|1.524017|1.358722|1.290207|1.802190|0.036342|1.471305|1.237691|1.231583|1.145653|1.476588|4.022724|0.173281|0.141376|0.209524|0.500000| |5.503545|8.730867|17.535407|6.964733|6.905382|0.220951|5.428357|4.248244|3.602324|3.724824|20.324126|2.590935|2.860601|2.527216|3.876758|3.606038|2.976507|1.987538|3.579878|1.731214|0.046833|1.689574|1.489923|1.399686|1.938392|0.038986|1.590124|1.316947|1.310010|1.207308|1.546676|4.618996|0.140953|0.122215|0.141545|0.302048|0.500000| |6.884344|8.671737|17.572740|5.514434|6.757270|0.177094|6.650429|4.641164|3.656944|3.641638|19.556197|2.551136|2.877067|2.576075|3.935950|3.731059|2.931604|1.938105|3.452780|1.697310|0.046590|1.638213|1.452026|1.362227|1.901589|0.038590|1.554757|1.292826|1.272892|1.177010|1.511478|4.417608|0.206660|0.140241|0.169891|0.303291|0.301449|0.500000| |6.994262|8.683545|5.521996|17.565016|6.621610|0.160264|4.465553|3.569704|3.644250|4.543119|26.515799|2.919304|2.933445|2.423792|3.822268|3.183268|3.327924|2.311160|4.394521|1.949532|0.051968|1.829405|1.597878|1.541273|2.190882|0.043563|1.843171|1.509185|1.523499|1.407189|1.801246|7.001543|0.140685|0.204857|0.178655|0.144224|0.140342|0.122215|0.500000| |5.501188|8.720316|6.848289|17.527871|6.969933|0.207372|4.513344|3.718446|3.659890|4.316504|24.619995|2.846260|2.938252|2.469768|3.855411|3.319897|3.248007|2.230301|4.172396|1.897942|0.050376|1.826174|1.593486|1.520469|2.124086|0.042171|1.772811|1.452026|1.467218|1.349129|1.723372|6.076641|0.122259|0.139964|0.142337|0.169991|0.204168|0.139569|0.301113|0.500000| |6.872144|8.787926|7.187481|17.557192|5.468686|0.142352|4.006858|3.173826|3.036284|3.478198|20.413984|2.412271|2.490238|2.142819|3.391525|2.899312|2.812099|1.947274|3.633392|1.685138|0.045242|1.608072|1.424771|1.370713|1.928420|0.038501|1.593245|1.333265|1.343962|1.250398|1.609903|4.750599|0.141491|0.165197|0.210430|0.220182|0.177473|0.144472|0.303167|0.302073|0.500000| |6.716900|6.469795|5.128751|4.458232|8.820987|0.174651|17.541882|8.893047|6.702022|6.408520|29.768444|3.890547|4.612812|3.791229|5.549746|5.206901|4.179309|2.642439|4.640635|2.228930|0.062194|2.065172|1.787204|1.663465|2.379171|0.048764|1.995150|1.593474|1.539607|1.406532|1.790401|7.116170|0.220561|0.183069|0.136146|0.115984|0.123122|0.155550|0.119917|0.110948|0.105015|0.500000| |5.983275|6.874457|6.880665|4.492468|8.744221|0.207205|17.595598|8.918707|5.549513|4.980562|24.386437|3.311162|4.003438|3.517947|5.127244|5.202934|3.660059|2.327945|4.060654|2.006842|0.055670|1.917672|1.673800|1.547792|2.172671|0.044416|1.794807|1.455329|1.413462|1.293785|1.650332|5.523691|0.196905|0.140756|0.130418|0.142270|0.167116|0.245341|0.110744|0.116770|0.108263|0.303794|0.500000| |3.740465|4.021348|3.723819|3.180029|5.499278|0.143103|8.884764|17.555474|8.880197|5.843723|29.205182|4.614740|6.597556|6.055879|7.924297|9.516910|4.932507|2.926072|4.861526|2.501032|0.070901|2.373239|2.031596|1.830145|2.575871|0.053349|2.144930|1.684036|1.601049|1.444697|1.826142|4.881930|0.114483|0.101214|0.086387|0.086277|0.099969|0.114360|0.084896|0.086371|0.077063|0.221622|0.212368|0.500000| |3.751083|4.517906|4.355446|3.610147|6.620967|0.204988|8.863905|17.472514|8.867794|6.143356|29.583433|4.471870|6.167093|5.447658|7.186380|8.686314|4.741545|2.861039|4.830221|2.430936|0.066974|2.378132|2.020663|1.816851|2.511096|0.051257|2.092242|1.641261|1.584699|1.425186|1.798140|5.325517|0.108950|0.098153|0.087543|0.097023|0.125692|0.129956|0.092968|0.103107|0.085787|0.174809|0.221383|0.302219|0.500000| |2.745068|3.051966|2.948452|2.617032|3.955618|0.115340|4.889770|7.897790|6.857264|4.655021|26.875160|4.789152|7.183714|9.244090|10.849817|26.177159|5.424444|3.124565|4.990497|2.740530|0.077464|2.735184|2.316864|2.016202|2.758797|0.057178|2.272238|1.766184|1.670369|1.489616|1.870382|3.723630|0.080145|0.074513|0.066485|0.070234|0.084042|0.087326|0.069958|0.074389|0.064386|0.119503|0.126901|0.244323|0.250896|0.500000| |2.237301|2.411619|2.334724|2.136657|2.956186|0.084709|3.472331|4.770659|4.705260|3.566662|22.974398|4.279021|5.720220|9.523515|14.085561|26.040920|5.418067|3.134510|4.838915|2.898058|0.084267|2.959851|2.548381|2.159803|2.922986|0.061549|2.357043|1.847045|1.716454|1.525827|1.912430|2.904202|0.065074|0.061597|0.055380|0.057334|0.066165|0.068511|0.057983|0.060532|0.053560|0.090284|0.091598|0.150016|0.138751|0.310234|0.500000| |2.170515|2.303880|2.074578|2.167096|2.819029|0.078225|2.970519|3.677103|4.819358|4.310750|37.630989|9.549421|7.507165|7.822970|18.738143|6.936363|25.809321|9.297996|10.755384|7.501823|0.219887|6.419896|4.483657|3.641088|5.219538|0.109422|4.774613|3.007125|2.699916|2.264043|2.735947|3.221194|0.060378|0.063155|0.053798|0.051837|0.058071|0.057818|0.062108|0.061298|0.053611|0.081556|0.072733|0.101679|0.095726|0.118590|0.127799|0.500000| |1.746334|1.866467|1.724981|1.808024|2.191359|0.062389|2.233265|2.635003|3.159938|2.974290|25.255615|4.717052|4.090327|4.418510|9.787322|4.844115|9.068869|6.749089|8.848058|8.802387|0.215866|17.600608|8.856698|5.509424|6.665371|0.134648|5.498348|3.541660|3.163491|2.554155|3.026328|2.428405|0.048153|0.050188|0.044314|0.043825|0.049031|0.047686|0.051496|0.051959|0.045546|0.060387|0.056602|0.072015|0.072317|0.086709|0.096917|0.213850|0.500000| |1.712055|1.838205|1.686224|1.824991|2.130667|0.060858|2.100630|2.401982|2.892542|2.873607|25.518486|4.265806|3.527368|3.480261|6.972740|3.940816|7.702263|7.030220|10.499924|8.831474|0.173788|17.532724|8.833387|6.753875|7.699780|0.137358|6.754191|4.079881|3.890363|2.993074|3.458585|2.404154|0.046530|0.049471|0.043737|0.043124|0.048092|0.045957|0.052505|0.052828|0.046026|0.056749|0.053115|0.064144|0.065962|0.073637|0.077256|0.151375|0.303372|0.500000| |1.469880|1.535969|1.429978|1.495546|1.746894|0.049006|1.786964|2.031082|2.331018|2.237963|18.534006|3.146006|2.819918|3.023150|6.485220|3.535871|5.518927|4.465420|6.564146|6.722723|0.197347|8.805061|17.519159|8.867837|9.381511|0.215138|5.660347|4.643545|3.721875|2.992357|3.517704|1.913722|0.040691|0.042364|0.037802|0.036889|0.040264|0.039656|0.042744|0.042482|0.038292|0.049231|0.046010|0.056561|0.055274|0.064547|0.072713|0.124087|0.215708|0.173227|0.500000| |1.431978|1.515729|1.419332|1.492550|1.718500|0.048885|1.729521|1.958213|2.238879|2.169759|17.910433|2.957533|2.659554|2.805220|5.780008|3.345666|4.997257|4.067003|6.267158|5.491114|0.139012|8.809517|17.582833|8.970148|7.613433|0.147452|4.885832|4.110875|3.668834|2.927837|3.433220|1.874152|0.039369|0.041036|0.036970|0.036657|0.040357|0.039107|0.042510|0.042872|0.038253|0.047030|0.044695|0.053676|0.054180|0.062137|0.068560|0.107928|0.210318|0.215320|0.304129|0.500000| |1.325362|1.378880|1.282342|1.368377|1.536035|0.043016|1.538430|1.696202|1.927362|1.914714|15.970227|2.504209|2.222746|2.266859|4.556673|2.720621|4.146326|3.559301|5.835546|4.862352|0.127267|5.479666|8.760766|17.620604|12.347715|0.223273|5.595371|7.176566|5.660178|4.317126|4.850558|1.690289|0.036349|0.038340|0.034460|0.033439|0.036088|0.035240|0.039389|0.038885|0.035335|0.042519|0.039772|0.046657|0.046175|0.051237|0.055208|0.086152|0.123170|0.138538|0.214457|0.211932|0.500000| |1.431330|1.504346|1.388902|1.508383|1.685296|0.047466|1.661157|1.831702|2.118140|2.139502|18.372010|2.831982|2.442607|2.421315|4.782914|2.870865|4.725121|4.286049|7.265983|5.758281|0.132706|6.808990|8.806926|17.635290|12.369684|0.182334|7.043139|6.795416|6.667308|4.532724|4.906969|1.880021|0.038919|0.041504|0.037130|0.036118|0.039271|0.037864|0.043623|0.043179|0.038729|0.045617|0.042621|0.049610|0.049962|0.054466|0.057328|0.094322|0.139406|0.198850|0.173383|0.214500|0.300682|0.500000| |1.693694|1.772856|1.595508|1.784629|2.010042|0.055799|1.959777|2.151156|2.586289|2.705061|25.205026|3.751119|3.000560|2.800417|5.430402|3.202830|6.492930|7.104411|13.645126|8.836737|0.173772|6.809221|5.767711|7.019016|12.324845|0.181780|17.683146|6.788798|6.792773|4.539008|4.892447|2.333692|0.045687|0.049963|0.043532|0.041275|0.044737|0.043216|0.052568|0.050738|0.045272|0.054391|0.049269|0.057629|0.057351|0.060953|0.062078|0.118262|0.139334|0.199015|0.132334|0.129392|0.143981|0.213336|0.500000| |1.730095|1.774952|1.587986|1.761311|2.009664|0.054737|1.997306|2.184129|2.620670|2.722767|25.167901|3.803544|3.053733|2.859875|5.615274|3.243048|6.641523|6.980562|12.454836|8.764604|0.213853|5.476673|4.878562|5.594122|12.334041|0.222096|17.641157|7.204876|5.820831|4.342730|4.841422|2.340411|0.047056|0.051511|0.044331|0.041110|0.043973|0.043344|0.052091|0.049271|0.044748|0.056523|0.050067|0.059512|0.057115|0.061220|0.062856|0.123164|0.122945|0.138630|0.126948|0.107566|0.126393|0.144402|0.302030|0.500000| |1.429345|1.454086|1.324313|1.449560|1.604904|0.043871|1.599625|1.720506|1.976324|2.028369|17.433310|2.585917|2.228156|2.163001|4.226294|2.563881|4.196478|3.783827|6.721990|4.700082|0.127786|3.884020|4.186751|5.575350|12.419449|0.233181|7.013480|17.627994|8.827611|7.082370|7.473114|1.812079|0.039028|0.042183|0.037182|0.034704|0.036681|0.036252|0.042544|0.040494|0.037446|0.045256|0.040910|0.047335|0.045585|0.048814|0.050817|0.082722|0.090580|0.100210|0.113404|0.097074|0.147037|0.140211|0.167133|0.220710|0.500000| |1.305039|1.337347|1.233182|1.332948|1.472576|0.040667|1.470441|1.590091|1.803205|1.825193|15.326491|2.311541|2.035868|2.022657|3.981913|2.431337|3.736808|3.261247|5.632422|4.170095|0.112873|3.890254|4.718191|7.077921|12.416152|0.230237|5.576959|17.628416|8.814694|7.159253|7.566355|1.635781|0.035718|0.038122|0.034069|0.032355|0.034374|0.033822|0.038754|0.037485|0.034567|0.041211|0.037935|0.043815|0.042682|0.046232|0.048816|0.075534|0.090633|0.100620|0.127539|0.112465|0.223426|0.169988|0.140636|0.146390|0.301952|0.500000| |1.343572|1.395075|1.282765|1.415771|1.532750|0.042738|1.496198|1.607836|1.837660|1.898592|16.221252|2.358421|2.046166|1.981191|3.804155|2.386124|3.742081|3.361554|6.187221|4.012792|0.098178|3.953723|4.411551|6.635187|9.164288|0.142030|5.492200|8.727639|17.599971|9.169859|8.316073|1.716703|0.036339|0.039220|0.035166|0.033691|0.036031|0.034801|0.041323|0.040239|0.036663|0.041494|0.038491|0.043491|0.043516|0.045982|0.047371|0.072983|0.089862|0.114383|0.105858|0.111843|0.175433|0.229306|0.174789|0.134547|0.172496|0.208915|0.500000| 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