Version2.1 2021-01-08T09:19:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](c1ccccc1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCC[NH+](C(C)C)C(C)C C39634805 RHF 6-31G(d) (6D,7F) CC[C@@H](c1ccccc1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCC[NH+](C(C)C)C(C)C C01[X(C27H46N4O2)] 231 C1 587 CC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 CC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 CC[C@H](C(=O)N1C[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)C2(CC[NH2+]CC2)C1)c3ccccc3 InChIKey=VJUXMOVBZREZQL-BJKOFHAPSA-P InChI=1S/C27H44N4O2/c1-6-23(22-10-8-7-9-11-22)26(33)30-18-24(27(19-30)12-14-28-15-13-27)25(32)29-16-17-31(20(2)3)21(4)5/h7-11,20-21,23-24,28H,6,12-19H2,1-5H3,(H,29,32)/p+2/t23-,24+/m0/s1 InChI=1/C27H44N4O2/c1-6-23(22-10-8-7-9-11-22)26(33)30-18-24(27(19-30)12-14-28-15-13-27)25(32)29-16-17-31(20(2)3)21(4)5/h7-11,20-21,23-24,28H,6,12-19H2,1-5H3,(H,29,32)/p+2/t23-,24+/m0/s1/fC27H46N4O2/h28-29,31H/q+2 CC[C@@H](c1ccccc1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCC[NH+](C(C)C)C(C)C C01[X(C27H46N4O2)] 231 C01 587 CC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 CC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NCC[NH](C(C)C)C(C)C)[C]1[CH][CH][CH][CH][CH]1 CC[C@@H]([C]1[CH][CH][CH][CH][CH]1)C(=O)N2C[C@H](C(=O)NCC[NH](C(C)C)C(C)C)C3(CC[NH2]CC3)C2 InChIKey=FOVUVLCHKZKNRY-BJKOFHAPSA-N InChI=1S/C27H46N4O2/c1-6-23(22-10-8-7-9-11-22)26(33)30-18-24(27(19-30)12-14-28-15-13-27)25(32)29-16-17-31(20(2)3)21(4)5/h7-11,20-21,23-24,31H,6,12-19,28H2,1-5H3,(H,29,32)/t23-,24+/m0/s1 InChI=1/C27H46N4O2/c1-6-23(22-10-8-7-9-11-22)26(33)30-18-24(27(19-30)12-14-28-15-13-27)25(32)29-16-17-31(20(2)3)21(4)5/h7-11,20-21,23-24,31H,6,12-19,28H2,1-5H3,(H,29,32)/t23-,24+/m0/s1/f/h29H 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431.96 443.23 460.08 483.84 499.89 512.70 524.55 533.00 544.63 572.53 587.03 611.98 626.51 659.86 672.84 679.63 698.94 710.70 719.19 758.63 775.15 792.92 806.50 833.67 897.31 920.51 974.53 984.36 1017.90 1115.28 1127.03 1133.72 1148.21 1178.68 1189.52 1211.86 1235.57 1248.04 1257.23 1262.25 1302.84 1333.02 1355.07 1365.04 1376.10 1386.98 1392.51 1409.37 1425.48 1431.60 1477.67 1481.50 1488.58 1494.11 1503.90 1512.13 1524.43 1547.66 1557.48 1565.99 1575.60 1595.39 1599.19 1602.79 1620.02 1629.08 1630.65 1636.03 1641.65 1643.82 1681.09 1700.06 1705.08 1720.80 1724.74 1733.94 1737.15 1780.30 1787.61 1806.29 1811.91 1827.55 1839.09 1850.15 1867.99 1882.06 1884.65 1900.88 1902.09 1915.00 1921.74 1939.30 1954.64 1977.03 1998.67 2008.89 2019.04 2046.48 2076.60 2081.69 2091.98 2098.14 2100.33 2109.35 2125.13 2143.08 2149.12 2156.78 2162.34 2167.80 2186.51 2188.78 2200.27 2228.15 2230.03 2235.14 2247.42 2248.99 2251.86 2257.72 2262.08 2264.30 2264.78 2281.39 2281.82 2290.76 2293.05 2310.42 2333.58 2339.51 2342.58 2347.73 2349.18 2355.51 2356.77 2365.12 2366.07 2366.63 2369.36 2371.91 2372.97 2375.21 2378.85 2385.25 2388.41 2401.65 2403.11 2417.14 2436.20 2455.90 2563.12 2599.41 2627.87 2768.18 2797.67 4596.49 4606.97 4611.40 4616.68 4622.88 4632.41 4638.20 4642.20 4644.76 4650.04 4663.00 4683.00 4683.64 4695.16 4716.55 4727.79 4728.22 4731.17 4731.53 4731.67 4738.75 4741.21 4741.28 4747.56 4753.87 4758.76 4766.49 4769.73 4770.79 4775.12 4779.76 4782.78 4805.44 4808.60 4810.36 4818.28 4839.55 4844.20 4854.77 4870.27 4874.47 4886.10 5267.79 5317.76 5358.03 5585.83 0.772772 0.805552 0.806496 0.705449 -1415.547890 -1415.515110 -1415.514166 -1415.615213 3.389133D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE CC[C@@H](c1ccccc1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCC[NH+](C(C)C)C(C)C C39634805 RHF 6-31G(d) (6D,10F) C1 458.362077 |X|Y|Z| 118.992214 76.468971 39.658279 71.194408 18 6 7 16 2 |36.858105| |12.473338|36.858105| |7.430156|12.352585|36.858105| |6.936048|8.890340|17.530902|0.500000| |6.100639|7.434550|12.467773|0.248531|36.858105| |5.359094|5.417937|7.514456|0.204441|13.695655|36.858105| |4.124919|4.054145|4.991256|0.133271|7.883834|13.735724|36.858105| |3.649786|3.728867|4.407700|0.110943|6.817154|7.934814|13.759884|36.858105| |3.860666|4.228341|4.990725|0.116650|7.896846|6.896035|7.957858|13.740980|36.858105| |4.813462|5.850890|7.495957|0.155754|13.681130|7.960888|6.879741|7.922319|13.754242|36.858105| |4.899658|7.589498|12.491355|0.248274|7.631508|5.209015|3.968376|3.762356|4.430671|6.400728|36.858105| |4.419371|6.816570|7.948292|0.166408|5.827241|4.157410|3.388401|3.368433|4.092139|5.717284|15.891655|73.516695| |3.830056|5.101408|7.662672|0.203121|5.935050|4.690200|3.703383|3.461432|3.881239|5.059016|13.885157|15.273036|53.358707| |3.550984|4.294629|6.379885|0.198614|5.627195|5.099704|4.015525|3.561583|3.728517|4.540285|7.527638|9.448573|17.895890|36.858105| |2.767347|3.246659|4.295236|0.125982|4.050988|3.791460|3.275056|3.038154|3.167387|3.622829|5.197803|7.566471|11.108609|12.355675|36.858105| |2.638277|3.080393|4.045504|0.113536|4.080934|3.817728|3.424238|3.273211|3.436608|3.829846|4.853155|7.296491|9.478391|8.921381|17.495301|0.500000| |2.624376|3.156136|3.955046|0.112008|3.527414|3.159355|2.744514|2.619920|2.818218|3.269757|5.213372|8.212456|11.021637|7.818344|12.283746|0.248155|36.858105| |3.040621|3.885508|4.986514|0.131156|4.268219|3.541742|3.008791|2.929345|3.301972|4.043898|7.852533|12.740224|17.886830|7.891239|8.087164|0.201804|12.370926|36.858105| |2.560536|3.026176|3.617922|0.106693|3.092400|2.824106|2.435707|2.286546|2.421154|2.799177|4.511160|7.216998|8.484805|6.160304|7.397652|0.152214|12.317586|7.514815|36.858105| |2.315064|2.730459|3.084427|0.088093|2.645478|2.393134|2.100703|2.010783|2.152619|2.468997|3.838087|6.643828|6.447939|4.289456|4.834016|0.112977|7.436685|6.028902|12.488843|36.858105| |2.012074|2.337023|2.626929|0.073771|2.352174|2.149710|1.935452|1.882340|2.013067|2.256075|3.213052|5.669318|5.293792|3.619085|4.353137|0.108446|6.468224|5.102260|7.670211|12.643466|53.358707| |1.892475|2.185867|2.399624|0.066884|2.152321|1.965906|1.781293|1.743097|1.868359|2.083615|2.898254|5.235045|4.578140|3.090039|3.560045|0.090845|4.914609|4.273602|5.668369|9.171136|25.667436|0.500000| |1.895717|2.164634|2.437808|0.069373|2.212070|2.059445|1.867567|1.805984|1.905608|2.109484|2.896424|5.013049|4.771575|3.431945|4.226283|0.104948|5.802359|4.356027|7.019346|9.190863|25.664985|0.328176|0.500000| |2.038146|2.391102|2.736755|0.075107|2.513649|2.272549|2.066421|2.043052|2.212418|2.469327|3.428049|6.113969|5.731874|3.840662|4.847413|0.128825|7.471142|6.022851|6.478966|7.591601|17.219740|0.254659|0.255560|36.858105| |2.193890|2.573843|3.077709|0.085395|2.877708|2.624663|2.377360|2.328774|2.499947|2.789956|3.863268|6.518988|6.982488|4.993959|7.426799|0.199145|12.390980|7.435621|7.572352|6.484888|10.483383|0.157787|0.196464|12.498560|36.858105| |2.431092|2.720334|3.426496|0.103835|3.304480|3.298301|2.943387|2.685544|2.689080|2.949089|3.794140|5.720038|6.971346|7.360646|12.518783|0.252946|7.238756|5.011562|6.121530|4.194522|5.324984|0.090015|0.113104|4.094446|5.832589|36.858105| |2.153153|2.389959|2.892597|0.086721|2.757842|2.735535|2.481464|2.299429|2.312466|2.512109|3.215620|5.033803|5.668313|5.263808|7.917302|0.178603|6.465996|4.350203|6.171530|4.408194|5.851925|0.097754|0.131934|4.323893|5.975164|15.806300|73.516695| |2.462143|2.671391|3.367959|0.103947|3.387390|3.587152|3.255453|2.881496|2.775605|2.970467|3.486713|5.209622|5.992501|6.460298|7.823895|0.192650|4.971863|4.006437|4.420271|3.286442|4.170954|0.073244|0.087977|3.188422|4.192885|14.049401|15.181538|53.358707| |2.163198|2.282992|2.754694|0.084830|2.773158|2.988878|2.795054|2.483292|2.355782|2.467014|2.787212|4.288363|4.537358|4.411559|5.012060|0.128518|3.761277|3.109703|3.589775|2.824414|3.648815|0.065342|0.078629|2.718237|3.383761|7.787796|12.342941|17.916565|36.858105| |1.898349|2.002155|2.373928|0.070858|2.442312|2.610284|2.533472|2.321372|2.201520|2.250219|2.429692|3.832907|3.883436|3.559736|4.188569|0.116090|3.301395|2.764395|3.059999|2.514879|3.385833|0.061264|0.073478|2.581235|3.188264|5.916715|10.296377|10.630393|12.419189|36.858105| |1.700331|1.763966|2.039535|0.060750|2.094384|2.250870|2.213393|2.035793|1.918296|1.941780|2.058698|3.294308|3.196617|2.822195|3.168000|0.087284|2.646980|2.278440|2.535261|2.157672|2.915411|0.053737|0.063453|2.186095|2.586566|4.120861|7.478503|6.819149|7.441057|12.660147|53.358707| |1.742429|1.786590|2.061372|0.061781|2.131433|2.331011|2.305981|2.094359|1.946584|1.960876|2.044004|3.255717|3.135982|2.779129|3.009366|0.082612|2.499980|2.193980|2.404955|2.047099|2.727669|0.050502|0.058768|2.038829|2.394882|3.812971|6.666078|6.540340|7.118392|9.399659|25.724308|0.500000| |1.539087|1.594953|1.823460|0.053394|1.894858|2.024132|2.032174|1.909278|1.800266|1.794031|1.847058|2.999178|2.826377|2.421623|2.714042|0.077045|2.328371|2.043488|2.198587|1.919478|2.641962|0.049241|0.057253|2.009444|2.341225|3.324673|6.034450|5.204315|4.832737|7.430742|16.740454|0.257713|36.858105| |1.444888|1.476971|1.665431|0.048793|1.734300|1.868760|1.892947|1.774589|1.658800|1.641991|1.662731|2.711855|2.497703|2.112489|2.289837|0.064521|1.994666|1.788343|1.910178|1.689830|2.306387|0.043447|0.049642|1.738225|1.983846|2.714824|4.870143|4.237204|3.847928|5.015221|10.401789|0.216961|12.461123|36.858105| |1.572916|1.637953|1.884664|0.054498|1.996966|2.133913|2.182592|2.080995|1.954483|1.918556|1.914702|3.115075|2.922713|2.491937|2.805904|0.082557|2.380904|2.118806|2.179163|1.903372|2.636076|0.049104|0.056457|2.053548|2.417319|3.324085|5.830835|5.194211|4.409650|6.649477|10.037707|0.178815|12.487414|7.596825|36.858105| |1.601695|1.659588|1.890998|0.056555|1.898949|2.013319|1.951020|1.798100|1.715335|1.756589|1.918535|3.094548|2.969695|2.574426|2.878247|0.077106|2.505089|2.138444|2.495758|2.156116|2.916108|0.054059|0.064420|2.129251|2.459731|3.723861|7.184506|5.726395|6.000914|7.369879|16.787210|0.256776|7.550955|6.081687|4.911495|36.858105| |1.580232|1.660886|1.892391|0.056288|1.873206|1.943965|1.862864|1.735244|1.684331|1.742873|1.963248|3.188625|3.081276|2.640384|3.065666|0.081310|2.745624|2.277379|2.770728|2.407451|3.322291|0.061217|0.075168|2.401258|2.769675|4.033751|8.467997|5.697571|5.498691|6.496740|10.172119|0.158269|5.699111|4.425011|4.253297|12.494031|36.858105| |1.661214|1.700863|1.925149|0.058409|1.913389|2.046908|1.962849|1.781743|1.691565|1.743925|1.921770|3.082731|2.946600|2.562721|2.755065|0.072147|2.406095|2.080439|2.462414|2.122819|2.799975|0.052120|0.061392|2.007978|2.291860|3.506132|6.594393|5.473505|5.738279|5.625595|10.221824|0.213576|5.068007|4.765730|3.756899|12.480273|7.441538|36.858105| |17.579527|8.746917|6.659446|0.168575|6.690972|6.228512|4.905980|4.300976|4.449052|5.364062|4.448687|7.131811|4.851708|3.390145|2.674670|0.072247|2.486794|2.858429|2.377167|2.140355|2.577052|0.049416|0.049810|1.941778|2.108020|2.365257|3.705684|3.314349|2.145475|1.900938|2.321811|0.048781|1.553786|1.463882|1.600684|1.590907|1.557187|1.643317|0.500000| |17.524221|8.756741|6.755714|0.206620|5.457212|5.248508|3.987136|3.387701|3.441778|4.158003|4.553547|7.046477|5.133949|3.656252|2.823153|0.073470|2.643197|2.972463|2.633447|2.350008|2.755325|0.052673|0.053412|2.023515|2.190871|2.531132|3.983004|3.528525|2.295611|1.982703|2.424156|0.050975|1.595520|1.501755|1.615292|1.685467|1.654591|1.769603|0.301250|0.500000| |17.573338|8.843182|5.450291|0.141914|4.635850|4.145126|3.416115|3.132912|3.329348|3.992672|4.090621|6.952551|4.453973|3.007290|2.430742|0.064569|2.354934|2.710148|2.326809|2.154045|2.562700|0.049721|0.049246|1.895223|2.004716|2.159629|3.457183|2.955454|1.936687|1.717887|2.116183|0.044175|1.416860|1.337168|1.443958|1.476213|1.460475|1.531702|0.302391|0.302261|0.500000| |8.832959|17.601816|8.846808|0.174451|6.828921|4.845335|3.870553|3.780235|4.527666|6.366098|6.901923|12.797961|6.301355|3.804593|3.007385|0.081287|2.973608|3.733198|2.794133|2.579749|3.067267|0.059051|0.057656|2.341871|2.490331|2.508825|3.952595|3.332299|2.101739|1.878646|2.259723|0.046530|1.518978|1.407303|1.571968|1.558549|1.564350|1.582494|0.210287|0.172560|0.212392|0.500000| |8.869620|17.547864|8.875569|0.212757|5.479516|4.305476|3.352366|3.104273|3.467065|4.553755|7.177139|12.188925|6.854650|4.136553|3.190446|0.082302|3.221054|3.956083|3.207363|2.951083|3.360305|0.064509|0.063067|2.473967|2.610777|2.685398|4.260435|3.520195|2.225953|1.945121|2.340677|0.048157|1.550216|1.434395|1.578121|1.638255|1.654009|1.685091|0.172875|0.209985|0.215369|0.305053|0.500000| |5.475622|5.207507|6.987500|0.226055|8.903165|17.684530|8.929092|5.648630|4.961768|5.650089|4.816749|6.774080|6.133882|5.173030|3.778399|0.101715|3.123648|3.386638|2.885293|2.418073|2.920218|0.054402|0.057529|2.224192|2.565504|3.406513|5.021451|5.158747|3.200681|2.711775|3.200261|0.068330|2.078091|1.928538|2.153006|2.117481|2.027848|2.192835|0.168519|0.163998|0.116643|0.122425|0.119601|0.500000| |3.631760|3.445398|4.078935|0.114121|5.624885|8.917093|17.712895|8.914193|5.651533|4.955358|3.331664|5.122774|4.356815|3.560909|2.993024|0.086227|2.501740|2.660471|2.257808|1.951348|2.459679|0.046297|0.048895|1.912484|2.194180|2.801023|4.239128|4.329879|2.819524|2.567735|3.102107|0.066952|2.095130|1.977542|2.245910|1.995935|1.875057|2.021762|0.118246|0.100860|0.085532|0.090502|0.081594|0.215894|0.500000| |3.087293|3.101078|3.530013|0.090854|4.923562|5.642044|8.909188|17.724658|8.905388|5.638898|3.120114|5.085914|3.992248|3.033742|2.688936|0.080903|2.340524|2.565850|2.056943|1.828073|2.358416|0.044797|0.046439|1.880919|2.128725|2.435638|3.763205|3.573996|2.316377|2.211898|2.677630|0.056355|1.873942|1.757145|2.061480|1.731275|1.661378|1.707258|0.099743|0.080501|0.075765|0.087850|0.073652|0.124194|0.214613|0.500000| |3.318791|3.636736|4.077377|0.096489|5.632377|4.964386|5.653898|8.913241|17.722192|8.935351|3.842902|6.639715|4.644213|3.220818|2.852376|0.086776|2.604783|3.045995|2.238225|2.027643|2.619262|0.049996|0.050522|2.132300|2.374797|2.440339|3.795499|3.385020|2.139697|2.035858|2.434719|0.050149|1.701105|1.570580|1.856571|1.605487|1.584083|1.572536|0.104019|0.082163|0.082364|0.111257|0.085436|0.107682|0.124176|0.214718|0.500000| |4.541521|5.935118|6.956254|0.140839|8.896682|5.651496|4.955751|5.645081|8.936919|17.718844|6.924448|12.494786|7.012247|4.261646|3.503301|0.102536|3.328620|4.310448|2.842397|2.566257|3.196982|0.060674|0.060203|2.592199|2.866770|2.808111|4.323759|3.737016|2.291436|2.104597|2.480482|0.050702|1.691526|1.545346|1.802684|1.666167|1.672445|1.648475|0.133287|0.107054|0.108833|0.197776|0.132546|0.124059|0.107570|0.124200|0.216270|0.500000| |3.644448|4.259910|6.007266|0.211740|4.987456|4.764411|3.714021|3.205723|3.270746|3.917036|6.354287|8.273397|12.297222|17.527765|8.721996|0.174927|6.483271|6.112205|6.246147|4.287402|4.746319|0.083331|0.093331|3.495792|4.330000|6.965898|9.292772|8.722849|4.605593|3.530014|3.881885|0.078813|2.398357|2.114402|2.406539|2.658068|2.711281|2.724035|0.094549|0.108722|0.085757|0.101168|0.117448|0.144954|0.094245|0.076773|0.078843|0.101996|0.500000| |3.722647|4.365696|6.734294|0.206014|6.936321|6.689428|5.109485|4.355106|4.425220|5.327537|6.836810|8.692952|12.338730|17.616170|8.701258|0.224420|5.681326|5.980657|4.583367|3.459708|4.141897|0.073812|0.081021|3.274153|4.162678|6.286577|8.070170|8.777576|4.429866|3.626121|3.913834|0.079936|2.485144|2.181127|2.602808|2.553795|2.550526|2.539334|0.102383|0.105841|0.085963|0.108063|0.110794|0.183112|0.122900|0.100344|0.102326|0.129854|0.301784|0.500000| |2.854807|3.603637|4.540330|0.114952|4.202452|3.464877|3.040594|3.065626|3.542568|4.264367|6.779348|11.943861|12.335480|6.355958|6.862626|0.204002|8.739583|17.520087|5.503608|4.795582|6.137614|0.108148|0.108490|5.804818|7.149586|4.483410|6.966563|5.047371|2.912368|2.677106|3.009749|0.059025|2.020474|1.765943|2.133307|2.050020|2.174074|1.968342|0.076235|0.076169|0.071120|0.099891|0.098897|0.089250|0.074095|0.074992|0.092751|0.129354|0.135715|0.151273|0.500000| |3.003306|3.886084|4.632318|0.120579|3.815960|3.154601|2.692897|2.637508|2.988051|3.657105|7.237946|13.670178|12.474637|5.840205|5.723628|0.143573|8.591979|17.647484|7.089598|6.786265|7.399081|0.131129|0.122660|6.058733|6.225323|4.066402|6.606586|4.551417|2.712010|2.427397|2.789503|0.054960|1.850447|1.637846|1.902051|1.955087|2.088205|1.917547|0.077019|0.080987|0.075873|0.105036|0.114707|0.084469|0.066587|0.064714|0.077696|0.111485|0.140697|0.129573|0.304016|0.500000| |2.900261|3.459814|4.157948|0.126957|3.379601|3.069293|2.577855|2.379476|2.514407|2.961373|5.122959|7.898057|9.503204|6.814576|6.696423|0.137719|8.741439|7.088622|17.579681|9.029009|7.630601|0.127261|0.143312|4.883896|5.501559|5.544319|9.302545|5.880436|3.517815|2.914921|3.325958|0.065513|2.105193|1.855046|2.079115|2.403585|2.601405|2.430550|0.073398|0.084053|0.072629|0.086297|0.104072|0.088700|0.066171|0.058881|0.063761|0.083053|0.213739|0.136960|0.141160|0.192545|0.500000| |2.342505|2.683094|3.175269|0.095264|2.797536|2.639577|2.311226|2.154243|2.236739|2.528395|3.732806|5.953657|6.706799|5.398258|6.837695|0.142156|8.779625|5.501689|17.600118|8.912841|9.346441|0.143805|0.204116|5.636587|6.743169|6.932368|14.210368|6.577371|4.052571|3.406827|3.826881|0.073204|2.394002|2.060248|2.327799|2.824710|3.219969|2.783361|0.060980|0.067697|0.059326|0.068720|0.078104|0.075878|0.060482|0.054371|0.057510|0.070194|0.158666|0.116936|0.122885|0.141311|0.303216|0.500000| |2.444825|2.948974|3.270245|0.091104|2.752408|2.431993|2.124331|2.051969|2.232588|2.596528|4.210018|7.635686|6.776156|4.157474|4.407303|0.106362|6.611086|6.525111|8.708753|17.645587|12.442739|0.225212|0.181172|6.941988|5.689594|3.664903|6.559513|4.047550|2.547059|2.283583|2.684965|0.052434|1.773378|1.575053|1.775693|1.951760|2.141146|1.927777|0.062280|0.067988|0.063566|0.078277|0.089959|0.067539|0.054300|0.051604|0.058660|0.076487|0.113247|0.094277|0.143519|0.237559|0.214781|0.173120|0.500000| |2.198717|2.539820|2.800112|0.081144|2.402073|2.206650|1.943997|1.849435|1.958981|2.227303|3.336136|5.766331|5.366876|3.699161|4.022941|0.094891|5.440108|4.594488|8.781051|17.629217|12.362136|0.222821|0.224321|5.577971|4.888388|3.722495|7.108610|4.103920|2.678671|2.377156|2.829878|0.054959|1.844675|1.638624|1.804779|2.117230|2.370618|2.112601|0.056227|0.062645|0.057369|0.066244|0.076975|0.062686|0.050650|0.046960|0.051279|0.063850|0.106935|0.084930|0.105436|0.141310|0.212542|0.217496|0.301841|0.500000| |2.128369|2.538799|2.872163|0.077131|2.613216|2.312275|2.094827|2.092759|2.307474|2.606315|3.699805|6.887328|5.989470|3.761066|4.442504|0.120072|6.691334|6.579971|5.730444|6.964723|12.424725|0.223881|0.181006|17.624783|8.724148|3.610683|6.489151|3.959835|2.473731|2.338294|2.719180|0.052342|1.846890|1.616469|1.899948|1.934143|2.139145|1.842316|0.056122|0.057991|0.055202|0.070033|0.073335|0.062222|0.053351|0.053303|0.062183|0.077676|0.094125|0.089760|0.182839|0.202081|0.129165|0.131656|0.209463|0.143239|0.500000| |1.834669|2.118072|2.390988|0.065547|2.241418|2.052738|1.898158|1.891015|2.035090|2.227685|2.904883|5.209278|4.693294|3.232079|4.026612|0.110935|5.450823|4.589657|4.871013|5.575826|12.358297|0.223193|0.223736|17.629102|8.765933|3.596742|6.899131|3.926017|2.525933|2.466414|2.881900|0.054507|1.979037|1.710974|2.027994|2.070725|2.354741|1.929381|0.048929|0.050550|0.047698|0.058032|0.060466|0.055718|0.049169|0.048913|0.055052|0.064737|0.082458|0.079048|0.128997|0.127106|0.107585|0.126709|0.143224|0.126455|0.301351|0.500000| |2.034296|2.332503|2.766952|0.078283|2.622327|2.461205|2.254974|2.189190|2.300099|2.518211|3.314775|5.515032|5.836152|4.511118|6.852831|0.181294|8.823521|5.467948|6.780022|5.685813|9.442720|0.144757|0.207666|8.895395|17.572637|6.488457|13.442237|6.145140|3.741360|3.596636|3.927020|0.072754|2.594598|2.159181|2.647944|2.768538|3.218835|2.528685|0.054548|0.057026|0.051749|0.062252|0.065547|0.067685|0.058713|0.056137|0.060627|0.070630|0.113042|0.106958|0.144907|0.131082|0.138585|0.196797|0.131733|0.128255|0.172914|0.215244|0.500000| |2.163524|2.537447|3.044122|0.082649|2.944974|2.674171|2.465072|2.463806|2.671156|2.940498|3.808978|6.511445|6.671876|4.717572|6.760887|0.214228|8.777942|6.940080|5.496511|4.867816|7.632513|0.127089|0.144150|8.996517|17.566065|5.215782|8.993118|5.433382|3.216358|3.125532|3.447716|0.065284|2.340609|1.980729|2.479516|2.357205|2.609358|2.174038|0.058476|0.059348|0.054863|0.069270|0.070252|0.071190|0.062814|0.062815|0.071289|0.084283|0.109705|0.115105|0.219869|0.157045|0.122966|0.138253|0.127587|0.107559|0.212910|0.212679|0.303354|0.500000| |2.713263|2.931694|3.802919|0.118226|3.962823|4.347151|3.912295|3.361967|3.176196|3.393122|3.806421|5.557219|6.430446|7.268863|7.453415|0.194563|4.670163|4.055019|4.053467|3.068913|3.850870|0.068419|0.079480|2.979249|3.851508|9.332278|10.872644|26.060974|9.025932|6.261751|5.962205|0.122115|3.494632|2.938317|3.602379|3.632511|3.501071|3.551374|0.075443|0.079355|0.065479|0.074209|0.077238|0.128190|0.105955|0.083847|0.077433|0.084889|0.193154|0.230817|0.105513|0.093262|0.113792|0.116855|0.079219|0.077927|0.077455|0.074665|0.110044|0.104800|0.500000| |2.090128|2.208791|2.623391|0.081233|2.565776|2.713434|2.503829|2.239439|2.154213|2.282224|2.681056|4.160719|4.368076|4.135527|4.718134|0.115989|3.760950|3.042075|3.805854|2.992963|3.840698|0.068644|0.084234|2.773032|3.388007|7.374682|13.577410|12.618874|17.706017|8.746506|8.946319|0.169463|4.356448|3.558543|3.804968|6.445433|6.386080|6.576106|0.056878|0.061946|0.052386|0.056307|0.060767|0.081165|0.069712|0.057978|0.054671|0.059667|0.124510|0.110024|0.077749|0.074996|0.103356|0.124758|0.073603|0.080345|0.069378|0.071498|0.105768|0.086819|0.184642|0.500000| |2.226516|2.300758|2.758697|0.085974|2.810562|3.129002|2.945839|2.558354|2.375848|2.467671|2.697567|4.134506|4.262244|4.106714|4.278850|0.110948|3.282362|2.839664|3.168739|2.542810|3.244744|0.058908|0.069041|2.406541|2.918200|5.817612|9.063182|12.596187|17.580471|8.790806|9.324949|0.213142|4.562351|3.891394|4.154623|5.501133|4.620006|5.843822|0.061779|0.066329|0.055203|0.058470|0.061843|0.095262|0.084519|0.066463|0.059492|0.062866|0.121795|0.119005|0.074066|0.069590|0.088904|0.096716|0.064785|0.067612|0.061948|0.062177|0.087075|0.077869|0.231555|0.302360|0.500000| |1.937209|2.040154|2.434797|0.071898|2.573328|2.784310|2.764808|2.544832|2.382055|2.393225|2.473564|3.897517|3.915449|3.581406|4.137928|0.120431|3.203895|2.762477|2.875272|2.379357|3.207374|0.058309|0.068485|2.497434|3.095617|5.408928|8.765492|9.949690|8.966231|17.702939|12.435407|0.225198|7.120809|4.951035|7.890445|5.489316|4.838417|4.475918|0.054483|0.055805|0.048512|0.053486|0.054400|0.079227|0.078293|0.067847|0.061143|0.061563|0.095878|0.105217|0.075738|0.066854|0.076538|0.086239|0.060970|0.061863|0.063684|0.066360|0.094605|0.086806|0.182601|0.174428|0.212043|0.500000| |1.822703|1.946202|2.298877|0.067864|2.339430|2.439908|2.355718|2.197818|2.124033|2.183955|2.410370|3.844634|3.897591|3.497194|4.351634|0.121618|3.528783|2.870021|3.242782|2.680703|3.701966|0.066520|0.081581|2.844930|3.557391|6.242575|11.998788|9.490173|8.807563|17.681446|12.303986|0.182005|6.713094|4.459487|6.211187|6.757615|7.312223|4.925863|0.050420|0.052503|0.046046|0.051057|0.052892|0.069522|0.065309|0.058131|0.055081|0.057517|0.094811|0.096166|0.077574|0.069982|0.083314|0.101760|0.066839|0.069974|0.070250|0.076362|0.115937|0.096527|0.151302|0.211886|0.173035|0.302549|0.500000| |1.463048|1.524418|1.733087|0.050559|1.782419|1.877367|1.870850|1.772178|1.692091|1.696302|1.775492|2.905206|2.723985|2.303679|2.621089|0.074110|2.301528|2.001332|2.189653|1.933487|2.698180|0.050414|0.059054|2.045034|2.361191|3.205440|6.032122|4.790017|4.329998|6.345843|12.368577|0.185285|17.637125|8.821592|8.919580|7.604694|6.546832|4.817014|0.040818|0.042029|0.037582|0.040441|0.041418|0.053361|0.053059|0.048215|0.044668|0.044837|0.063348|0.064626|0.054966|0.050642|0.057616|0.066732|0.049352|0.051793|0.051808|0.056539|0.073672|0.065259|0.087924|0.114047|0.109744|0.159366|0.182149|0.500000| |1.499183|1.521337|1.717466|0.050404|1.806171|1.972783|2.018458|1.879343|1.734367|1.704687|1.694590|2.752051|2.528387|2.148069|2.286173|0.064584|1.970315|1.787355|1.878674|1.654664|2.237224|0.042144|0.047766|1.690145|1.933295|2.679607|4.689350|4.278798|3.851780|4.816480|9.243837|0.222281|8.792445|17.543372|6.971395|5.154849|3.807708|4.449111|0.042437|0.043354|0.038439|0.040208|0.040803|0.056712|0.059312|0.051928|0.045435|0.044224|0.059763|0.062467|0.049065|0.045380|0.051151|0.055803|0.043098|0.044478|0.043978|0.045917|0.057763|0.053822|0.084459|0.096446|0.113005|0.138918|0.114098|0.172925|0.500000| 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