Version2.1 2021-01-19T17:23:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CCC[NH+](C1)Cc2ccc(cc2)CNC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4 C46779506 RHF 6-31G(d) (6D,7F) C[C@@H]1CCC[NH+](C1)Cc2ccc(cc2)CNC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4 C01[X(C27H40N3O2)] 210 C1 560 C[C@@H]1CCC[NH+](C1)Cc1ccc(cc1)CNC(=O)CNC(=O)C12CC3CC(C2)CC(C1)C3 C[C@@H]1CCC[NH+](C1)Cc1ccc(cc1)CNC(=O)CNC(=O)C12CC3CC(C2)CC(C1)C3 C[C@@H]1CCC[NH+](C1)Cc2ccc(CNC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2 InChIKey=BZZDUYKRYHPEOJ-BRHCQBGKSA-O InChI=1S/C27H39N3O2/c1-19-3-2-8-30(17-19)18-21-6-4-20(5-7-21)15-28-25(31)16-29-26(32)27-12-22-9-23(13-27)11-24(10-22)14-27/h4-7,19,22-24H,2-3,8-18H2,1H3,(H,28,31)(H,29,32)/p+1/t19-,22?,23?,24?,27?/m1/s1 InChI=1/C27H39N3O2/c1-19-3-2-8-30(17-19)18-21-6-4-20(5-7-21)15-28-25(31)16-29-26(32)27-12-22-9-23(13-27)11-24(10-22)14-27/h4-7,19,22-24H,2-3,8-18H2,1H3,(H,28,31)(H,29,32)/p+1/t19-,22?,23?,24?,27?/m1/s1/fC27H40N3O2/h28-30H/q+1 C[C@@H]1CCC[NH+](C1)Cc2ccc(cc2)CNC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4 C01[X(C27H40N3O2)] 210 C01 560 C[C@@H]1CCC[NH+](C1)Cc1ccc(cc1)CNC(=O)CNC(=O)C12CC3CC(C2)CC(C1)C3 C[C@@H]1CCC[NH](C1)C[C]1[CH][CH][C]([CH][CH]1)CNC(=O)CNC(=O)[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3 C[C@@H]1CCC[NH](C[C]2[CH][CH][C]([CH][CH]2)CNC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)C1 InChIKey=KHEXEPZIHWDHQP-GNAGPYCMSA-N InChI=1S/C27H40N3O2/c1-19-3-2-8-30(17-19)18-21-6-4-20(5-7-21)15-28-25(31)16-29-26(32)27-12-22-9-23(13-27)11-24(10-22)14-27/h4-7,19,22-24,30H,2-3,8-18H2,1H3,(H,28,31)(H,29,32)/t19-,22-,23+,24-,27-/m1/s1 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1251.81 1264.42 1279.30 1281.37 1309.14 1356.04 1365.08 1379.32 1381.20 1388.31 1403.65 1403.89 1406.09 1417.12 1454.58 1459.98 1466.33 1479.08 1501.35 1528.06 1535.44 1539.79 1544.22 1557.36 1565.39 1577.39 1603.27 1607.17 1617.41 1626.61 1638.44 1639.85 1646.87 1647.60 1658.86 1663.00 1716.05 1733.22 1736.64 1754.28 1761.07 1768.88 1774.02 1782.02 1793.28 1825.26 1832.01 1850.77 1880.20 1891.87 1898.34 1899.02 1902.26 1917.52 1939.46 1950.92 1976.29 2000.58 2008.36 2018.49 2038.14 2039.98 2045.95 2081.71 2090.29 2094.38 2095.97 2104.53 2123.51 2136.75 2137.46 2139.00 2139.78 2150.03 2171.75 2189.02 2191.50 2198.88 2202.59 2211.00 2213.28 2214.07 2217.59 2227.91 2233.11 2254.46 2260.64 2276.94 2284.00 2291.92 2344.61 2344.97 2345.39 2347.92 2353.15 2357.02 2361.78 2364.58 2366.04 2368.21 2369.77 2370.89 2371.44 2390.24 2401.74 2425.90 2434.00 2479.87 2550.36 2617.49 2776.54 2798.43 4575.54 4586.15 4591.34 4592.78 4595.29 4598.95 4612.89 4622.03 4622.21 4626.05 4626.28 4628.55 4635.66 4639.31 4640.94 4647.11 4653.63 4655.15 4660.56 4684.34 4687.36 4688.55 4699.75 4706.62 4712.09 4712.74 4716.63 4721.05 4741.64 4772.46 4776.33 4795.24 4801.30 4819.29 4830.31 4862.06 4900.02 5307.59 5573.30 5621.25 0.695083 0.722769 0.723713 0.630579 -1358.003708 -1357.976022 -1357.975077 -1358.068212 3.123763D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE C[C@@H]1CCC[NH+](C1)Cc2ccc(cc2)CNC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4 C46779506 RHF 6-31G(d) (6D,10F) C1 438.312053 |X|Y|Z| 165.113220 31.082462 56.956169 66.366056 29 6 7 26 3 |36.858105| |12.451583|36.858105| |8.916486|17.483483|0.500000| |7.485126|12.437133|0.247117|36.858105| |4.890738|7.546272|0.190674|12.463380|36.858105| |4.377942|6.465450|0.159345|7.548156|12.510405|36.858105| |4.949222|7.588328|0.192667|6.497716|7.655331|12.668544|53.358707| |4.667247|7.118830|0.212405|5.943199|7.194744|9.347082|25.695474|0.500000| |7.616851|12.458683|0.248473|7.579596|6.531383|7.674878|17.251014|0.258725|36.858105| |3.810863|4.933831|0.128596|4.361327|4.942366|7.574957|17.118937|0.259044|7.622298|36.858105| |3.031308|3.814089|0.105077|3.577693|4.294144|6.148886|10.339379|0.204757|4.980755|12.654337|36.858105| |2.824180|3.493821|0.101449|3.203986|3.767815|4.786845|8.089404|0.187217|4.284382|7.588044|13.657649|36.858105| |2.369631|2.846752|0.082903|2.701360|3.180199|3.827294|5.821026|0.131657|3.299103|5.034056|7.901966|13.815009|36.858105| |2.151274|2.554985|0.072722|2.508589|2.984024|3.612426|5.109911|0.109596|2.931982|4.426288|6.807196|7.910254|13.647531|36.858105| |2.239283|2.673386|0.074055|2.675751|3.224841|4.102697|5.565802|0.112991|3.131419|5.021611|7.920223|6.902214|7.961385|13.751573|36.858105| |2.614681|3.193207|0.086533|3.168387|3.853007|5.381550|7.464968|0.142955|3.943089|7.563734|13.756808|7.956593|6.878537|7.893823|13.718052|36.858105| |1.850002|2.147055|0.061347|2.128848|2.486506|2.864627|3.961526|0.084893|2.386596|3.271730|4.412458|5.014668|7.535328|12.542495|7.532767|4.999545|36.858105| |1.712423|1.949654|0.055737|1.901792|2.159256|2.458435|3.489075|0.074500|2.168702|2.911604|3.750108|4.328284|6.107083|7.662427|5.399664|4.042171|13.153225|53.358707| |1.663882|1.879761|0.054385|1.813619|2.032691|2.266691|3.265943|0.070828|2.066051|2.669489|3.321883|3.987991|5.459359|5.682301|4.146154|3.373495|7.751264|19.181642|36.858105| |1.726542|1.961550|0.057528|1.887958|2.123494|2.333895|3.373669|0.074660|2.129892|2.689300|3.325723|4.141318|5.720878|5.417818|3.902555|3.266385|6.825156|11.562939|15.825099|73.516695| |1.513380|1.679613|0.048334|1.612778|1.773264|1.961319|2.836350|0.060771|1.840916|2.319523|2.769486|3.205675|3.993853|4.087516|3.292570|2.802167|5.021204|10.726890|12.561109|14.158923|36.858105| |1.470219|1.619037|0.046977|1.543773|1.679600|1.828394|2.662850|0.057551|1.754293|2.137942|2.487948|2.908114|3.494825|3.380468|2.772859|2.447427|3.911760|7.134311|7.895124|12.659805|13.302949|53.358707| |1.361419|1.480701|0.042790|1.409306|1.514948|1.639354|2.386953|0.051176|1.598572|1.910558|2.169869|2.476252|2.854646|2.772239|2.366643|2.134296|3.108032|5.390813|5.155019|8.404620|7.875628|19.115550|36.858105| |1.309450|1.418059|0.040663|1.352899|1.450202|1.576794|2.288159|0.048556|1.537918|1.846608|2.086705|2.332921|2.657326|2.637958|2.302109|2.078378|2.946605|5.134357|4.566884|7.084794|7.079721|11.682427|15.834124|73.516695| |1.309244|1.413168|0.041061|1.341028|1.429373|1.525916|2.224170|0.047900|1.508030|1.751182|1.951943|2.224089|2.502134|2.383334|2.061149|1.895039|2.606978|4.255997|3.925656|6.953020|5.015292|10.543417|12.453885|14.065507|36.858105| |1.209146|1.292081|0.037323|1.226691|1.296300|1.380554|2.007435|0.042855|1.376743|1.580173|1.734353|1.936245|2.130773|2.051153|1.818797|1.691439|2.212503|3.547654|3.092163|5.356168|3.872211|6.902548|7.612374|12.404019|12.363061|36.858105| |1.156576|1.227919|0.035575|1.164944|1.223130|1.289470|1.872648|0.040052|1.296027|1.456166|1.578498|1.755382|1.904020|1.819293|1.627031|1.529927|1.938001|3.014726|2.582973|4.606054|3.041401|5.211740|4.926002|7.959627|7.546841|12.409079|36.858105| |1.120264|1.192135|0.034617|1.138805|1.200027|1.256593|1.809176|0.038795|1.248627|1.393876|1.514885|1.683088|1.837121|1.766697|1.577189|1.475231|1.904562|2.927770|2.511283|4.554306|2.888752|4.918395|4.377094|6.900501|6.432762|7.595032|12.406158|36.858105| |1.197855|1.284495|0.037516|1.227764|1.302367|1.362136|1.961439|0.042385|1.343149|1.505654|1.651729|1.859996|2.056964|1.963255|1.725291|1.602690|2.135937|3.283843|2.895193|5.411736|3.274065|5.825628|4.906189|7.136759|7.537783|6.481190|7.601492|12.407960|36.858105| |1.256604|1.358585|0.039587|1.300819|1.391959|1.471037|2.118184|0.045756|1.433710|1.644110|1.833129|2.079724|2.352487|2.265039|1.959655|1.791612|2.522759|4.012179|3.677439|6.765555|4.391962|8.565862|7.538346|9.827331|12.304199|7.589468|6.473451|7.587494|12.395846|36.858105| |1.270051|1.359648|0.039980|1.288431|1.359978|1.416924|2.060123|0.044818|1.417777|1.573009|1.713935|1.949826|2.131231|1.986785|1.741467|1.636962|2.113356|3.203844|2.824796|5.421595|3.084706|5.457481|4.363221|6.315240|6.440611|5.376634|6.483497|7.595257|12.399370|7.596870|36.858105| |1.323255|1.412903|0.041458|1.326128|1.393264|1.463876|2.154285|0.046764|1.487707|1.663371|1.806659|2.063356|2.235916|2.060945|1.808117|1.711679|2.157587|3.315832|2.924732|5.502726|3.268817|5.857131|4.898085|7.088772|7.538959|6.481633|7.602726|6.475509|7.586610|6.465331|12.398741|36.858105| |1.220675|1.292513|0.037638|1.215879|1.269921|1.335030|1.956966|0.042064|1.362050|1.516017|1.631571|1.829086|1.961076|1.836767|1.639622|1.558787|1.919812|2.950280|2.530398|4.607970|2.885040|4.937041|4.371019|6.856679|6.432676|7.594329|12.406879|7.594301|6.474504|5.362661|7.594555|12.408301|36.858105| |1.404206|1.513819|0.044321|1.419944|1.504980|1.602059|2.368113|0.051432|1.614259|1.856746|2.052967|2.377615|2.632653|2.419410|2.084039|1.948408|2.558828|4.071256|3.738905|6.946811|4.379532|8.667985|7.509461|9.703082|12.310267|7.589863|6.473841|5.363308|6.465578|7.569445|7.596910|12.394607|7.586406|36.858105| |17.549168|8.766596|0.173446|6.768188|4.528728|4.207247|6.220591|0.114377|6.867857|3.678070|2.902326|2.641728|2.233079|2.062378|2.179807|2.558622|1.778301|2.244198|1.590563|2.907084|1.454330|1.912997|1.306378|2.247390|1.251980|1.162039|1.109499|1.073306|1.142346|1.199986|1.204563|1.255998|1.165790|1.334244|0.500000| |17.560865|8.751949|0.213467|5.454916|4.057311|3.838085|6.242217|0.123194|6.935586|3.725963|2.970452|2.824679|2.362247|2.118225|2.178706|2.528601|1.825067|2.326822|1.674140|3.089355|1.532381|2.038266|1.391797|2.378037|1.343219|1.242639|1.190770|1.148112|1.225440|1.282224|1.306318|1.369751|1.264051|1.450962|0.301012|0.500000| |17.584818|8.826483|0.214045|6.848986|4.520405|3.824067|5.568951|0.111016|5.526096|3.214788|2.672963|2.535215|2.176056|1.987409|2.051902|2.347914|1.734306|2.186376|1.568880|2.907458|1.429911|1.900694|1.296020|2.211936|1.253656|1.159321|1.114661|1.084577|1.160119|1.210780|1.230904|1.274998|1.176559|1.343569|0.301935|0.302276|0.500000| |6.938537|8.842674|0.174075|17.513530|8.843634|6.762037|7.705466|0.135826|6.783584|4.127051|3.347174|2.927003|2.492019|2.360336|2.563923|3.052027|2.014481|2.462008|1.713564|3.136894|1.536195|1.992958|1.343900|2.308476|1.275662|1.173917|1.113686|1.086818|1.165316|1.234964|1.217144|1.254772|1.158204|1.343317|0.205548|0.140850|0.172913|0.500000| |6.806095|8.843912|0.215991|17.580684|8.846268|5.507796|6.644849|0.132283|5.518994|3.539930|3.042827|2.816860|2.439747|2.272329|2.385295|2.739168|1.968716|2.406176|1.700409|3.164234|1.518733|1.993356|1.341494|2.284587|1.285526|1.177931|1.125054|1.104498|1.191084|1.254493|1.251680|1.281350|1.175237|1.361622|0.166412|0.139903|0.203660|0.303590|0.500000| |4.054410|5.490292|0.140015|8.792265|17.576645|8.977840|7.603284|0.145699|4.899456|4.115516|3.753085|3.296572|2.895281|2.808620|3.072827|3.575358|2.390714|2.811352|1.932429|3.571015|1.690577|2.172295|1.442955|2.463697|1.360557|1.237625|1.168422|1.151117|1.247168|1.332578|1.294023|1.318187|1.206181|1.420544|0.108541|0.094588|0.107864|0.215124|0.209791|0.500000| |4.477574|6.730804|0.200220|8.810344|17.518763|8.877847|9.334818|0.210066|5.684367|4.586176|4.230033|3.945346|3.370280|3.091981|3.222762|3.723076|2.591449|3.048171|2.132274|4.025174|1.843156|2.392538|1.576067|2.660590|1.493402|1.345195|1.272064|1.252885|1.369097|1.461755|1.436129|1.464535|1.324690|1.580022|0.110392|0.107118|0.118707|0.173326|0.215285|0.304145|0.500000| |4.234094|5.738768|0.133469|6.795295|8.786319|17.598345|12.445636|0.182392|7.051808|6.992621|5.440719|4.122573|3.380119|3.294294|3.860827|5.121070|2.654975|3.142079|2.112873|3.808929|1.854559|2.343397|1.556825|2.685179|1.446125|1.319080|1.231202|1.196859|1.288276|1.390148|1.333759|1.381180|1.270153|1.509389|0.119929|0.102568|0.101788|0.198616|0.139151|0.214109|0.173216|0.500000| |3.543619|4.860658|0.128601|5.486406|8.771112|17.662934|12.379138|0.224531|5.612368|7.135963|7.094464|5.395933|4.430566|4.313240|5.047689|6.674124|3.330660|3.759189|2.502209|4.578341|2.124769|2.664132|1.736386|2.964206|1.602800|1.440359|1.337674|1.307579|1.424241|1.550385|1.473566|1.516272|1.377618|1.671670|0.094498|0.089102|0.088527|0.138727|0.123186|0.212278|0.214863|0.301012|0.500000| |6.908422|8.778661|0.215608|5.501868|4.896706|5.610885|12.385718|0.223656|17.619029|7.207770|4.815714|4.364844|3.323442|2.882066|3.004972|3.714444|2.354980|2.968535|2.102665|3.855943|1.888701|2.467913|1.658072|2.832052|1.568993|1.433557|1.350457|1.292964|1.388778|1.479694|1.475634|1.562219|1.429219|1.695820|0.168604|0.206734|0.141359|0.139003|0.123372|0.107835|0.127537|0.144554|0.126805|0.500000| |6.895267|8.763843|0.173745|6.800338|5.767508|7.031236|12.425835|0.181895|17.591370|7.028328|4.583433|3.789556|3.000846|2.755472|3.021681|3.839632|2.262307|2.810070|1.948262|3.523704|1.752351|2.259200|1.522127|2.624908|1.431138|1.315980|1.237073|1.190137|1.272364|1.358773|1.334614|1.401278|1.293480|1.519789|0.203978|0.170778|0.140561|0.198739|0.139144|0.129341|0.132376|0.213678|0.144332|0.301371|0.500000| |3.875910|4.772247|0.126779|3.942549|4.164849|5.599970|12.415469|0.218921|7.453139|17.623262|8.876090|7.004505|4.694587|3.974174|4.253490|5.752013|3.030914|3.808396|2.623985|4.703268|2.320063|2.947110|1.949941|3.349221|1.796411|1.626013|1.500724|1.425255|1.534499|1.669290|1.615444|1.727050|1.575312|1.927235|0.102926|0.110291|0.089780|0.103544|0.091079|0.096975|0.110239|0.146309|0.143953|0.236007|0.186470|0.500000| |3.661388|4.539109|0.112885|4.205620|4.648855|7.147816|12.376940|0.182322|6.824994|17.631445|8.816682|5.591894|4.177216|3.947406|4.722728|7.178277|3.013164|3.672444|2.444645|4.308978|2.158312|2.692507|1.786069|3.102029|1.634510|1.489704|1.373029|1.314160|1.409052|1.536136|1.461543|1.543121|1.420747|1.715347|0.102600|0.097946|0.085755|0.117041|0.094479|0.112073|0.114178|0.218085|0.182649|0.171276|0.206356|0.301803|0.500000| |3.032211|3.739831|0.112019|3.273024|3.707701|4.491011|8.148149|0.202188|4.568874|7.018917|8.858449|17.668452|8.974947|5.639326|4.963818|5.643322|4.096909|5.082438|3.639328|6.901583|3.018044|3.864719|2.445573|4.059272|2.240211|1.951321|1.786154|1.705832|1.887081|2.085335|2.011359|2.145331|1.889173|2.452462|0.077218|0.086068|0.075304|0.081774|0.080451|0.088246|0.109758|0.106728|0.131747|0.136257|0.108077|0.205497|0.141331|0.500000| |2.226006|2.629670|0.077872|2.477168|2.856900|3.283493|4.991223|0.114824|2.962559|4.104979|5.630570|8.939549|17.740880|8.906762|5.660423|4.956714|7.016727|8.635977|6.475094|13.464270|4.519375|5.546307|3.219214|5.173851|2.828345|2.347756|2.092276|2.023060|2.304047|2.660270|2.410052|2.527312|2.168993|3.023275|0.057865|0.062204|0.057407|0.063189|0.063247|0.072535|0.085467|0.080839|0.102531|0.084176|0.074459|0.111028|0.096209|0.216805|0.500000| |2.043914|2.399376|0.065919|2.444458|2.917566|3.608384|4.716110|0.094334|2.756342|4.099046|5.649027|4.967071|5.649068|8.916842|17.714930|8.942760|6.975604|6.944320|3.835980|6.277314|3.132917|3.557984|2.257370|3.953137|1.960820|1.746358|1.561147|1.519605|1.652511|1.877556|1.649214|1.701688|1.557519|1.950874|0.055820|0.055009|0.052442|0.066016|0.061143|0.079322|0.080136|0.097322|0.121269|0.073059|0.075291|0.098203|0.112522|0.107708|0.124203|0.500000| |2.616108|3.157319|0.083164|3.208000|3.861025|5.486169|7.103714|0.128204|3.906539|6.972262|8.898714|5.642447|4.953618|5.635022|8.928406|17.698865|4.086354|4.651258|2.885930|4.940485|2.473566|2.963093|1.931478|3.376544|1.726308|1.560591|1.418565|1.368700|1.474782|1.636596|1.501049|1.566746|1.441155|1.765493|0.072605|0.069502|0.065086|0.088467|0.076457|0.101947|0.099492|0.158486|0.182794|0.099867|0.110731|0.146438|0.217689|0.123768|0.107566|0.216917|0.500000| |1.759634|2.030350|0.057370|2.044281|2.389883|2.748221|3.696304|0.077652|2.246071|3.035146|3.973958|4.189196|5.587254|8.896885|7.311992|4.773465|17.599226|12.578361|5.858157|9.084991|4.319190|4.621776|2.798085|4.824345|2.362686|2.046719|1.800492|1.776905|1.969146|2.306165|1.927155|1.955949|1.767170|2.285072|0.047392|0.047918|0.045942|0.054316|0.052602|0.064924|0.068294|0.072010|0.089037|0.060926|0.059990|0.077255|0.079878|0.096343|0.140973|0.224300|0.113780|0.500000| |1.830980|2.129103|0.061575|2.121720|2.489659|2.792619|3.829260|0.083615|2.319014|3.042043|3.980967|4.643700|6.825753|8.905739|5.868328|4.297374|17.633796|12.631347|7.436905|13.744892|4.738831|5.319502|3.072961|5.054427|2.636202|2.209893|1.956718|1.951410|2.223341|2.619182|2.205111|2.210918|1.942971|2.599000|0.048538|0.050078|0.048081|0.055245|0.055071|0.066681|0.073443|0.070865|0.090105|0.063401|0.060444|0.078521|0.077090|0.109464|0.195500|0.150810|0.099405|0.303046|0.500000| |1.638226|1.848397|0.052344|1.804761|2.030507|2.320526|3.284635|0.068994|2.065588|2.774035|3.500169|3.858868|5.041931|6.335866|5.071133|3.860633|9.022784|26.056257|9.387964|10.869367|7.561864|6.633177|3.887591|6.914167|3.018648|2.582312|2.174241|2.092346|2.301024|2.803520|2.221311|2.318155|2.105136|2.834846|0.044145|0.045467|0.042621|0.048138|0.046543|0.054202|0.057778|0.061498|0.071791|0.057748|0.055284|0.074359|0.072829|0.093128|0.139017|0.139987|0.093190|0.226918|0.182060|0.500000| |1.535784|1.698091|0.048559|1.620385|1.770793|1.978671|2.889167|0.061338|1.882709|2.407883|2.863411|3.274877|3.976215|4.057906|3.357096|2.896028|4.681432|9.772559|8.900478|10.861279|17.566937|12.484380|7.078674|12.932145|4.593995|3.763717|2.939244|2.706526|2.964870|3.818375|2.839189|3.108198|2.814009|4.141257|0.041162|0.043354|0.040086|0.043084|0.042163|0.046740|0.050689|0.052370|0.059198|0.053974|0.050065|0.067543|0.062577|0.085553|0.120812|0.088510|0.071268|0.113789|0.116767|0.214841|0.500000| |1.415888|1.565536|0.044832|1.518084|1.669687|1.837675|2.617087|0.055649|1.705345|2.124671|2.513800|2.825945|3.459876|3.691946|3.075380|2.599757|4.692801|9.586236|8.942671|11.072955|17.525746|12.391262|6.867587|12.143408|4.559326|3.693932|2.912736|2.823024|3.150816|4.221925|2.867387|2.958530|2.682267|3.789234|0.037967|0.039645|0.037295|0.040364|0.039839|0.044620|0.048021|0.048590|0.055380|0.048236|0.045404|0.058509|0.055617|0.073388|0.105064|0.083833|0.064785|0.119109|0.123605|0.203927|0.304044|0.500000| |1.512747|1.672416|0.048921|1.593604|1.738597|1.878068|2.736970|0.059800|1.798865|2.168629|2.525256|3.003424|3.634765|3.423654|2.767589|2.453040|3.938010|6.804627|7.720558|15.035197|9.150727|26.097857|9.220317|10.851081|7.241970|4.627039|3.730292|3.642366|4.569617|6.636350|4.440426|4.593748|3.654377|6.711886|0.039938|0.042787|0.040034|0.041715|0.042136|0.045785|0.051004|0.048702|0.055905|0.051620|0.046909|0.060911|0.055238|0.082377|0.121867|0.071731|0.060266|0.093371|0.113949|0.122845|0.185564|0.191465|0.500000| |1.229527|1.310173|0.037734|1.238025|1.303428|1.395061|2.040813|0.043406|1.404462|1.618844|1.769109|1.968572|2.146247|2.059027|1.837438|1.720273|2.189776|3.521914|3.023517|5.156464|3.800897|6.496233|7.008094|12.700602|8.812816|17.561407|8.790986|5.508362|4.846299|5.509174|4.448812|5.720841|6.908174|6.917169|0.032886|0.035214|0.032634|0.032986|0.032921|0.034481|0.037419|0.037146|0.040297|0.040808|0.037382|0.046573|0.042472|0.055240|0.065198|0.048898|0.044159|0.056271|0.059939|0.072025|0.107549|0.099106|0.118131|0.500000| |1.155883|1.235378|0.035550|1.180215|1.249981|1.331812|1.921583|0.040844|1.315557|1.513318|1.664146|1.839673|2.032062|1.990293|1.776234|1.641610|2.174227|3.495635|3.001211|5.104808|3.807144|6.467849|7.026833|12.896903|8.815942|17.572144|8.791605|6.909426|5.721760|6.919365|4.449652|4.847507|5.508750|5.510928|0.030960|0.032871|0.030810|0.031470|0.031490|0.033307|0.035935|0.035469|0.038698|0.037853|0.035077|0.042988|0.039862|0.050990|0.061578|0.047843|0.042268|0.056556|0.060166|0.071570|0.102265|0.105603|0.117786|0.304690|0.500000| |1.098333|1.160173|0.033486|1.101817|1.152210|1.213791|1.759122|0.037437|1.223869|1.368133|1.473000|1.621308|1.743694|1.676419|1.516194|1.432387|1.776687|2.745450|2.304387|4.066376|2.696448|4.427901|4.100285|7.048078|5.503197|8.861915|17.536581|8.826872|5.518649|4.856466|4.854534|5.519175|8.827259|4.856568|0.029362|0.031420|0.029422|0.029364|0.029578|0.030635|0.033155|0.032338|0.034874|0.035410|0.032589|0.039188|0.036033|0.045753|0.052616|0.040601|0.037127|0.046257|0.049534|0.055549|0.073594|0.072699|0.086943|0.213513|0.213492|0.500000| |1.081746|1.145837|0.033299|1.094499|1.148119|1.195372|1.719222|0.036858|1.193680|1.316262|1.419232|1.569783|1.696745|1.627372|1.463211|1.378392|1.738300|2.631487|2.225380|4.065759|2.497319|4.131476|3.529431|5.672768|4.817459|5.506388|8.788981|17.520034|8.804184|5.506281|6.919857|5.720682|6.917424|4.441978|0.028778|0.030822|0.029184|0.029020|0.029588|0.030614|0.033306|0.031646|0.034419|0.034340|0.031609|0.037420|0.034515|0.044389|0.051647|0.039168|0.035659|0.045215|0.049579|0.052191|0.065521|0.067751|0.085961|0.123064|0.141150|0.212337|0.500000| |1.075893|1.145351|0.033138|1.099686|1.161194|1.217292|1.742169|0.037213|1.200233|1.344299|1.463872|1.614463|1.768046|1.722726|1.545207|1.438273|1.874826|2.888694|2.453141|4.383877|2.848481|4.730449|4.229295|6.933758|5.692320|6.917018|8.796990|17.519562|8.797303|6.912534|5.507727|4.842129|5.507981|4.439948|0.028721|0.030533|0.028938|0.029234|0.029619|0.031062|0.033588|0.032303|0.035266|0.034386|0.031895|0.038010|0.035369|0.045084|0.053676|0.041664|0.037195|0.049035|0.053232|0.057828|0.073961|0.079378|0.095315|0.141401|0.206917|0.213138|0.302986|0.500000| |1.160803|1.245113|0.036386|1.197041|1.271817|1.322428|1.890071|0.040853|1.293947|1.440396|1.578592|1.768689|1.956281|1.880454|1.658667|1.538461|2.057094|3.114372|2.711431|5.112549|2.985167|5.100341|4.079915|6.116744|5.496037|4.858315|5.516142|8.818353|17.533219|8.858064|8.820970|5.511357|4.850649|4.851861|0.030750|0.032872|0.031344|0.031550|0.032375|0.033965|0.037209|0.034723|0.038458|0.036982|0.034058|0.040550|0.037510|0.049675|0.060594|0.044332|0.039435|0.053054|0.060080|0.060427|0.074484|0.081302|0.112398|0.106813|0.128004|0.123465|0.212681|0.212814|0.500000| |1.197382|1.293589|0.037508|1.246449|1.336041|1.413271|2.018748|0.043354|1.365230|1.569326|1.751303|1.962295|2.223512|2.185953|1.907899|1.733321|2.470345|3.942429|3.534139|6.298367|4.301384|7.787970|6.953267|10.021396|8.777697|6.917016|5.719295|6.912287|8.790070|17.522607|5.507778|4.838416|4.442079|5.496739|0.031891|0.033819|0.032064|0.033000|0.033392|0.035717|0.038821|0.037266|0.041472|0.038950|0.036126|0.044014|0.041010|0.054072|0.068808|0.051362|0.044229|0.063731|0.070916|0.077715|0.103585|0.121982|0.156914|0.141490|0.207415|0.128076|0.141292|0.207173|0.213417|0.500000| |1.318172|1.435338|0.042010|1.377150|1.483852|1.566325|2.251371|0.048955|1.511888|1.740194|1.958541|2.247774|2.581866|2.473885|2.106468|1.911004|2.789725|4.415012|4.172214|8.042365|4.750535|9.410547|6.854449|8.790111|8.719958|5.493684|4.840854|5.514830|8.830850|17.521483|6.935841|5.706029|4.438636|6.870441|0.034846|0.037266|0.035299|0.036154|0.036901|0.039433|0.043549|0.040859|0.046101|0.043222|0.039607|0.048838|0.044892|0.062493|0.082501|0.055783|0.048137|0.069958|0.082153|0.083533|0.109892|0.124628|0.230905|0.122856|0.141154|0.106747|0.123374|0.141518|0.215061|0.303125|0.500000| |1.217431|1.295116|0.038084|1.227918|1.288542|1.333537|1.934411|0.042008|1.341767|1.466869|1.582107|1.783725|1.924779|1.797775|1.593985|1.510055|1.895642|2.830197|2.438901|4.659279|2.623001|4.441709|3.522250|5.329123|4.821287|4.449257|5.724307|6.920073|8.800289|5.509880|17.523658|8.800443|6.919917|5.509915|0.032080|0.034814|0.032905|0.032253|0.033275|0.034110|0.037773|0.034935|0.038341|0.038782|0.035129|0.041872|0.037979|0.051275|0.059785|0.042046|0.038697|0.048417|0.054900|0.054786|0.067963|0.068556|0.098614|0.105907|0.105921|0.127862|0.207494|0.141362|0.212676|0.123133|0.141752|0.500000| |1.335288|1.438102|0.042533|1.363507|1.446055|1.502094|2.183614|0.047854|1.494686|1.657505|1.815621|2.087283|2.297255|2.121822|1.840969|1.726218|2.259787|3.392127|3.025302|6.005379|3.193545|5.642119|4.205738|5.997286|5.697655|4.448869|4.845503|5.506181|8.788256|6.920344|17.504852|8.787027|5.505690|6.920168|0.035027|0.038087|0.035990|0.035599|0.036838|0.038159|0.042700|0.039030|0.043520|0.043143|0.038865|0.047141|0.042516|0.059998|0.073152|0.048170|0.043723|0.056742|0.066448|0.064289|0.080259|0.081583|0.134402|0.105932|0.105952|0.106719|0.141350|0.123083|0.212899|0.141325|0.208060|0.303061|0.500000| |1.377177|1.465750|0.043212|1.365817|1.426893|1.493476|2.213934|0.048254|1.538913|1.700243|1.830164|2.098080|2.240052|2.033616|1.789888|1.713613|2.090357|3.161221|2.753064|5.245123|2.978209|5.136149|4.071584|6.064796|5.496122|4.858089|5.516385|4.850850|5.510960|4.851239|8.820060|17.527087|8.818464|8.855613|0.036166|0.039801|0.036888|0.035793|0.036711|0.037329|0.041761|0.039042|0.042730|0.045151|0.040091|0.049369|0.043625|0.061471|0.070366|0.046490|0.043557|0.052485|0.059539|0.061115|0.079661|0.074283|0.113187|0.127979|0.106826|0.123469|0.127842|0.106670|0.123405|0.106685|0.127803|0.212684|0.212857|0.500000| 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