Version2.0 2019-11-15T11:23:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n[nH]1)C)[C@@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(c(c(c4)OC)OC)OC C44713801 RHF 6-31G(d) (6D,7F) Cc1c(c(n[nH]1)C)[C@@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(c(c(c4)OC)OC)OC C01[X(C26H38N5O5)] 216 C1 616 COc1c(OC)cc(cc1OC)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@@H](c1c(C)n[nH]c1C)C COc1c(OC)cc(cc1OC)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@@H](c1c(C)n[nH]c1C)C COc1cc(cc(OC)c1OC)C(=O)N2C[C@@H](C(=O)N[C@H](C)c3c(C)[nH]nc3C)C4(CC[NH2+]CC4)C2 InChIKey=PXKZKYZPESVPED-BEFAXECRSA-O InChI=1S/C26H37N5O5/c1-15(22-16(2)29-30-17(22)3)28-24(32)19-13-31(14-26(19)7-9-27-10-8-26)25(33)18-11-20(34-4)23(36-6)21(12-18)35-5/h11-12,15,19,27H,7-10,13-14H2,1-6H3,(H,28,32)(H,29,30)/p+1/t15-,19+/m1/s1 InChI=1/C26H37N5O5/c1-15(22-16(2)29-30-17(22)3)28-24(32)19-13-31(14-26(19)7-9-27-10-8-26)25(33)18-11-20(34-4)23(36-6)21(12-18)35-5/h11-12,15,19,27H,7-10,13-14H2,1-6H3,(H,28,32)(H,29,30)/p+1/t15-,19+/m1/s1/fC26H38N5O5/h27-29H/q+1 Cc1c(c(n[nH]1)C)[C@@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(c(c(c4)OC)OC)OC C01[X(C26H38N5O5)] 216 C01 616 COc1c(OC)cc(cc1OC)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@@H](c1c(C)n[nH]c1C)C COc1cc(cc(c1OC)OC)C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)N[C@@H]([C@H]1[C@H](C)NN[C@@H]1C)C COc1cc(cc(OC)c1OC)C(=O)N2C[C@@H](C(=O)N[C@H](C)[C@H]3[C@H](C)NN[C@@H]3C)C4(CC[NH2]CC4)C2 InChIKey=MJGSKNHAUPDEGL-PGRYMQIGSA-N InChI=1S/C26H42N5O5/c1-15(22-16(2)29-30-17(22)3)28-24(32)19-13-31(14-26(19)7-9-27-10-8-26)25(33)18-11-20(34-4)23(36-6)21(12-18)35-5/h11-12,15-17,19,22,29-30H,7-10,13-14,27H2,1-6H3,(H,28,32)/t15-,16-,17+,19+,22-/m1/s1 InChI=1/C26H42N5O5/c1-15(22-16(2)29-30-17(22)3)28-24(32)19-13-31(14-26(19)7-9-27-10-8-26)25(33)18-11-20(34-4)23(36-6)21(12-18)35-5/h11-12,15-17,19,22,29-30H,7-10,13-14,27H2,1-6H3,(H,28,32)/t15-,16-,17+,19+,22-/m1/s1/f/h28H 4168.8111670543 -1653.0357416 1-A 23067.9733 134 482 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65144 -20.64659 -20.63707 -20.61940 -20.60761 -15.84196 -15.74811 -15.69880 -15.69482 -15.67664 -11.45994 -11.44259 -11.43828 -11.43003 -11.39216 -11.38573 -11.38343 -11.37866 -11.37853 -11.36891 -11.36736 -11.36565 -11.36394 -11.36296 -11.36295 -11.34421 -11.34184 -11.34000 -11.33496 -11.33036 -11.32539 -11.31930 -11.31784 -11.31361 -11.30072 -11.29393 -1.50655 -1.49899 -1.48985 -1.48139 -1.47918 -1.47850 -1.44170 -1.35778 -1.34724 -1.25081 -1.24295 -1.21976 -1.20353 -1.19904 -1.15883 -1.12426 -1.11282 -1.09434 -1.09015 -1.08600 -1.06491 -1.03578 -1.02951 -1.02352 -1.00644 -1.00387 -0.98281 -0.96560 -0.93953 -0.91368 -0.90096 -0.89989 -0.89646 -0.87548 -0.87469 -0.85842 -0.84130 -0.81871 -0.81395 -0.81243 -0.80216 -0.77865 -0.77530 -0.76227 -0.75916 -0.75653 -0.75226 -0.74208 -0.74086 -0.73538 -0.72919 -0.72806 -0.72337 -0.71801 -0.71537 -0.70949 -0.70455 -0.70151 -0.69841 -0.69102 -0.68742 -0.67592 -0.67474 -0.67148 -0.66892 -0.66693 -0.66492 -0.66253 -0.65986 -0.65596 -0.64993 -0.64107 -0.63614 -0.63483 -0.63097 -0.61665 -0.61348 -0.60768 -0.60145 -0.59786 -0.59148 -0.58854 -0.57893 -0.56836 -0.56446 -0.56171 -0.55828 -0.54142 -0.53115 -0.51538 -0.50354 -0.49766 -0.48695 -0.47203 -0.46352 -0.44210 -0.37671 -0.37232 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0.83851 0.84613 0.85177 0.86047 0.86170 0.86808 0.87055 0.87886 0.88070 0.89097 0.89399 0.90445 0.90776 0.91479 0.91873 0.92919 0.93078 0.93328 0.94470 0.94829 0.95490 0.95802 0.96071 0.96722 0.97532 0.97732 0.98200 0.98488 0.99286 1.00017 1.00585 1.01153 1.01780 1.01976 1.02322 1.02844 1.03273 1.04064 1.04396 1.04479 1.05913 1.06025 1.06137 1.06403 1.06531 1.06798 1.07080 1.07441 1.07729 1.08200 1.08613 1.09011 1.09264 1.09714 1.09850 1.10049 1.10350 1.11013 1.11167 1.11510 1.11958 1.12186 1.12365 1.13305 1.13763 1.14784 1.15622 1.16388 1.16678 1.17074 1.17509 1.17750 1.18732 1.18897 1.19636 1.20932 1.21267 1.21888 1.22324 1.23696 1.24879 1.26454 1.26838 1.27217 1.28006 1.29353 1.30276 1.30604 1.31177 1.31945 1.32710 1.34042 1.34430 1.35111 1.35694 1.36268 1.36763 1.37562 1.38590 1.39964 1.40480 1.41287 1.42428 1.42711 1.43267 1.44334 1.45386 1.46055 1.46285 1.46864 1.47916 1.49694 1.50214 1.51639 1.53727 1.54592 1.54737 1.55999 1.56585 1.57297 1.58290 1.58873 1.59144 1.59693 1.60791 1.61551 1.61952 1.63187 1.63851 1.66113 1.66789 1.67723 1.69347 1.70611 1.71951 1.73017 1.73831 1.74093 1.75128 1.75732 1.75994 1.76675 1.77517 1.78251 1.79482 1.80506 1.81660 1.84899 1.85074 1.88016 1.88279 1.88519 1.89971 1.90622 1.90980 1.92378 1.93749 1.94603 1.95658 1.96525 1.97483 1.99156 1.99350 1.99690 2.00681 2.01894 2.03236 2.03692 2.03897 2.04589 2.05666 2.06008 2.07140 2.08021 2.08312 2.09235 2.09443 2.10341 2.11143 2.11956 2.12308 2.12874 2.13640 2.14526 2.14988 2.15726 2.16381 2.16939 2.17536 2.18090 2.18468 2.19200 2.19363 2.20471 2.21403 2.22732 2.23304 2.23605 2.23963 2.25575 2.26449 2.27239 2.27540 2.28172 2.28879 2.29142 2.29405 2.30987 2.31856 2.33061 2.34108 2.34570 2.36275 2.36861 2.37901 2.38045 2.38393 2.38848 2.39147 2.40652 2.41732 2.41841 2.42277 2.43041 2.43390 2.44032 2.44871 2.45646 2.47497 2.47947 2.48898 2.49685 2.50345 2.50394 2.51629 2.52185 2.53051 2.53312 2.53840 2.54495 2.55195 2.55416 2.56225 2.56797 2.57419 2.58450 2.59396 2.60131 2.61786 2.62465 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106.85 110.89 121.18 132.33 136.27 146.55 157.12 167.30 193.99 226.35 232.88 246.20 253.19 269.47 273.24 290.01 297.67 301.67 323.08 329.14 334.64 338.94 370.12 379.08 388.35 392.87 406.39 423.52 454.73 463.01 492.80 505.75 521.43 544.21 558.78 566.24 569.16 602.34 629.32 635.50 671.97 706.35 733.49 738.06 760.74 799.37 815.61 824.91 830.36 849.42 891.25 903.90 956.16 960.84 974.72 1040.96 1059.32 1066.88 1083.77 1154.75 1167.21 1186.74 1199.10 1212.02 1237.51 1243.15 1247.53 1250.38 1272.18 1361.48 1375.96 1382.86 1386.27 1409.56 1414.02 1427.14 1489.26 1520.37 1535.35 1551.80 1554.95 1574.33 1593.55 1593.97 1601.05 1613.80 1643.02 1643.52 1649.81 1659.08 1673.77 1691.29 1700.62 1717.19 1747.76 1763.15 1790.52 1798.76 1806.75 1830.79 1832.11 1853.44 1858.83 1860.87 1861.85 1878.81 1891.74 1905.36 1913.89 1917.17 1922.82 1937.60 1945.36 1950.12 1959.18 2012.33 2017.21 2021.83 2027.96 2084.55 2090.41 2097.60 2099.04 2117.81 2125.95 2141.44 2154.54 2186.56 2210.37 2218.03 2227.34 2233.07 2246.24 2250.14 2259.29 2266.65 2267.30 2277.26 2284.98 2319.63 2321.14 2332.13 2336.23 2344.49 2348.64 2352.33 2360.12 2360.45 2360.64 2362.55 2367.61 2370.24 2370.83 2375.59 2376.53 2376.88 2378.24 2385.25 2386.82 2391.19 2407.67 2420.81 2428.98 2446.73 2451.38 2553.27 2568.57 2572.55 2654.15 2771.75 2774.21 4611.08 4619.51 4624.08 4630.27 4634.32 4638.30 4638.54 4640.30 4679.01 4699.44 4704.82 4711.19 4712.13 4713.94 4718.23 4722.30 4724.83 4726.69 4727.46 4738.81 4745.35 4750.79 4764.22 4776.52 4781.81 4788.19 4795.15 4795.89 4800.99 4801.65 4805.89 4806.32 4925.22 4940.40 5049.76 5342.40 5575.52 5611.77 0.685873 0.720239 0.721184 0.618806 -1652.349868 -1652.315502 -1652.314558 -1652.416935 3.433741D-04 MUNgauss RevisionA1.9 retrievium 15-Nov-2019 DUDE Cc1c(c(n[nH]1)C)[C@@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(c(c(c4)OC)OC)OC C44713801 RHF 6-31G(d) (6D,10F) C1 500.287251 |X|Y|Z| 57.158518 42.073506 134.277666 68.606377 25 6 7 20 5 |36.858105| |12.711229|36.858105| |7.260442|13.850400|36.858105| |5.157979|8.628907|13.392868|36.858105| |5.214614|8.514184|8.447803|14.555614|53.358707| |7.677013|14.220656|8.762001|9.048006|19.299332|53.358707| |6.869666|9.101907|6.072547|6.279858|12.820984|26.066373|0.500000| |3.703527|5.171273|7.198310|12.673847|10.686548|7.330267|0.120551|36.858105| |5.813367|7.393314|12.566862|7.183020|6.979848|7.130263|0.115766|5.686050|36.858105| |6.734907|7.143448|9.013147|5.483967|5.969517|6.585068|0.111181|4.365304|17.654218|0.500000| |4.253416|5.069375|7.404619|5.752421|5.723026|5.517359|0.093962|5.504167|12.478837|0.249259|36.858105| |4.603984|5.560333|7.821273|5.955601|6.122948|6.029653|0.100941|5.218953|12.944652|0.257500|7.773333|53.358707| |4.707950|5.298601|6.236674|4.958422|5.666382|5.876136|0.101072|4.199547|7.748815|0.201514|5.131117|19.211005|36.858105| |5.741058|5.776948|5.943750|4.508890|5.467916|6.128354|0.107630|3.650714|6.841973|0.209872|4.536667|11.592323|15.822400|73.516695| |3.564884|3.991248|4.507379|4.111292|4.927015|4.888249|0.087083|3.761125|5.010072|0.128172|3.894769|10.574277|12.489699|14.247620|36.858105| |3.113441|3.513253|4.108766|3.869675|4.533703|4.353565|0.077826|3.777099|4.725794|0.117592|3.949498|10.092199|8.843900|10.515919|17.531540|0.500000| |3.144405|3.285699|3.474841|3.162367|3.973868|4.070841|0.075324|2.898525|3.807849|0.104351|3.100489|6.960739|7.464121|11.839852|12.425776|0.245897|36.858105| |2.741571|2.900748|3.014804|2.886974|3.745189|3.769017|0.071062|2.698838|3.129588|0.084233|2.628819|5.402843|5.171327|8.421387|8.069071|0.186842|13.003483|53.358707| |2.762366|3.056302|3.228669|3.243050|4.231053|4.105785|0.076791|3.085889|3.227509|0.083734|2.718362|5.570787|5.054331|7.825531|7.997556|0.194960|7.879973|17.874338|36.858105| |3.443713|4.007821|4.359077|4.361701|5.532171|5.314508|0.095528|3.983332|4.261023|0.106835|3.384938|7.746749|7.388947|10.519554|12.165094|0.245942|7.796303|10.987663|12.402627|36.858105| |3.215461|3.959160|4.574678|5.122865|6.287675|5.479581|0.096815|5.129713|4.304476|0.101983|3.588624|7.520439|5.824366|8.177476|7.444598|0.202397|5.019090|6.991522|7.452032|12.386193|36.858105| |2.942538|3.609595|3.927847|4.695105|6.417383|5.403973|0.099077|4.751889|3.471023|0.084390|2.990590|5.447714|4.159337|6.433295|4.832134|0.128800|3.811310|5.633952|5.864323|7.400387|12.501704|36.858105| |3.387249|4.217187|4.260740|5.120131|7.932216|6.813525|0.127500|4.602295|3.513768|0.087208|2.932725|5.213969|4.081806|6.726697|4.376334|0.109416|3.590288|5.192125|4.972972|6.437668|7.718727|12.704097|53.358707| |3.028914|3.671838|3.634990|4.375643|7.027853|6.061776|0.119134|4.063291|3.021053|0.076038|2.599092|4.362158|3.360367|5.652192|3.566667|0.091220|3.055637|4.471278|4.150721|4.883738|5.691871|9.201998|25.699572|0.500000| |3.904457|5.201046|5.255882|6.827505|11.530787|9.007666|0.160436|5.666795|4.027290|0.098071|3.303345|5.730777|4.323097|7.157133|4.306636|0.107633|3.443359|4.730837|4.295873|5.821064|7.072667|9.145067|25.404904|0.327226|0.500000| |3.564014|4.159361|3.976406|4.272611|6.456058|6.366004|0.122715|3.673121|3.400491|0.087858|2.761868|5.145538|4.382512|7.602246|4.820877|0.112851|4.209032|6.289119|5.900687|7.407253|6.520088|7.688625|17.259644|0.255150|0.253399|36.858105| |4.108093|4.741676|4.654365|4.580175|6.326481|6.516674|0.119075|3.824811|4.170068|0.108419|3.206620|6.765015|6.494636|11.187035|7.379606|0.152248|6.060160|8.385114|7.492546|12.306018|7.552109|6.493367|10.475830|0.157815|0.195960|12.502032|36.858105| |2.312743|2.404964|2.478292|2.395171|3.139434|3.155348|0.060509|2.280685|2.574318|0.070006|2.238414|4.268533|3.829187|6.428823|5.231730|0.135192|7.532820|18.901509|7.946139|5.217703|3.910235|3.379883|4.247062|0.077644|0.078984|3.670212|4.381528|36.858105| |2.093916|2.200664|2.270528|2.247100|2.973068|2.944078|0.056844|2.177266|2.321179|0.062443|2.054079|3.778138|3.253811|5.420590|4.309402|0.116001|5.339168|11.645659|7.265605|4.632498|3.737927|3.385892|4.167421|0.077715|0.076150|3.518402|3.914480|15.853947|73.516695| |2.183868|2.207370|2.253642|2.135043|2.794026|2.853197|0.055096|2.023045|2.381891|0.066310|2.093973|3.865039|3.431487|5.983782|4.295752|0.112002|6.330293|10.497702|5.037506|3.954370|3.103412|2.712864|3.505012|0.064975|0.066904|2.987862|3.540323|12.724509|14.352554|36.858105| |1.904022|1.927646|1.983016|1.894735|2.472475|2.501472|0.048457|1.827319|2.106622|0.058474|1.900741|3.369952|2.869081|4.944249|3.482298|0.095457|4.613529|7.176170|3.986419|3.217430|2.680569|2.378793|3.035971|0.057088|0.058238|2.503850|2.863807|7.756424|11.856377|13.755388|36.858105| |1.778516|1.773217|1.812002|1.717993|2.245536|2.289550|0.044598|1.652991|1.933854|0.054356|1.762682|3.029539|2.541338|4.467409|2.934561|0.080309|3.756574|5.404125|3.140007|2.682200|2.282542|2.047124|2.653640|0.050296|0.051538|2.171755|2.460654|5.089790|8.039266|7.950786|13.715978|36.858105| |1.855832|1.816415|1.833359|1.715262|2.250166|2.326891|0.045502|1.627913|1.958891|0.055924|1.771938|3.030998|2.566802|4.643898|2.867833|0.076584|3.706122|5.083016|2.932415|2.593389|2.185934|1.963238|2.596961|0.049188|0.050874|2.147887|2.453675|4.468045|6.814620|6.882810|7.904934|13.669345|36.858105| |2.109902|2.043028|2.038503|1.886212|2.483980|2.601297|0.050867|1.760553|2.170079|0.062516|1.921424|3.368670|2.939301|5.459815|3.267765|0.084198|4.426127|5.940189|3.286106|2.935663|2.397617|2.140211|2.875262|0.054030|0.056378|2.433952|2.842196|5.031000|7.222703|7.949542|6.844763|7.897387|13.676551|36.858105| |2.332170|2.293050|2.295269|2.130626|2.804898|2.928379|0.056874|1.978214|2.427940|0.069166|2.108190|3.865706|3.492966|6.425294|4.093797|0.102460|6.092567|8.615398|4.302308|3.690309|2.875830|2.529903|3.383003|0.062745|0.065555|2.932973|3.526184|7.550365|9.604907|13.733411|7.891877|6.839102|7.901359|13.710277|36.858105| |2.129465|2.015415|1.980985|1.815234|2.404663|2.552699|0.050292|1.677956|2.102190|0.061531|1.861525|3.183505|2.753268|5.272264|2.917928|0.074550|3.764200|4.878649|2.829225|2.633621|2.181332|1.967750|2.692973|0.050872|0.053384|2.277120|2.637036|3.859129|5.753813|5.212301|4.620708|5.290507|8.229909|14.188801|7.885773|73.516695| |2.417730|2.236995|2.155103|1.950048|2.603096|2.814517|0.055708|1.769548|2.265906|0.067258|1.970407|3.387037|2.975778|5.935671|3.053801|0.075875|3.888013|4.911441|2.883806|2.771645|2.269462|2.052763|2.870994|0.054059|0.057312|2.467455|2.887183|3.655171|5.433563|4.519069|3.789290|3.980235|5.266348|8.015508|6.730631|24.209605|36.858105| |1.706528|1.656468|1.666842|1.557729|2.046388|2.120658|0.041661|1.481820|1.782344|0.051186|1.632772|2.706814|2.246408|4.090470|2.435505|0.065541|3.006856|4.041866|2.434684|2.211209|1.907036|1.729522|2.301066|0.043905|0.045426|1.880066|2.117889|3.395204|5.378228|4.629568|5.232485|8.015682|14.129237|8.028578|5.234896|12.797168|4.714098|73.516695| |1.571457|1.523469|1.520866|1.432773|1.900375|1.970092|0.039010|1.363740|1.603799|0.045943|1.473889|2.404550|1.979285|3.617445|2.133827|0.057262|2.571575|3.546064|2.193230|1.989943|1.734963|1.601907|2.146486|0.041340|0.042264|1.753359|1.935399|2.979433|4.882260|3.858139|4.300339|5.983662|8.137561|5.937050|4.276764|10.383047|4.159755|24.005389|36.858105| |1.590050|1.588850|1.629111|1.554910|2.032029|2.059991|0.040230|1.511643|1.737753|0.048702|1.610636|2.689124|2.201162|3.846299|2.498815|0.069648|3.038807|4.333761|2.656910|2.306773|2.023330|1.835211|2.369345|0.045298|0.046170|1.904807|2.117996|3.912303|6.577477|5.216955|7.893869|14.216237|8.232133|5.293003|4.620644|7.319782|3.217698|12.768226|5.912133|73.516695| |1.502795|1.520060|1.570756|1.517087|1.979860|1.985146|0.038720|1.493561|1.669769|0.046280|1.562384|2.588489|2.088666|3.589803|2.396755|0.068106|2.827892|4.121024|2.615597|2.246116|2.010271|1.834161|2.334197|0.044814|0.045287|1.850663|2.030949|3.728860|6.625246|4.526312|6.742027|8.019833|5.263447|3.981065|3.790416|5.718713|2.662772|8.356102|4.210396|24.149020|36.858105| |17.626524|8.938337|6.523637|4.592174|6.031153|8.006554|0.145703|3.445989|6.080108|0.213594|4.278993|6.936746|5.561834|13.516756|4.012886|0.095135|3.605478|4.127401|2.964414|3.694863|3.298127|2.924165|4.475342|0.080656|0.102243|3.578654|4.370354|2.531712|4.000280|2.417102|2.083678|1.948455|2.052235|2.365007|2.623846|4.263300|2.760984|3.338895|1.712924|3.068384|1.616918|0.500000| |17.573865|8.906078|5.507093|4.440226|6.607238|9.971102|0.211757|3.290985|4.440353|0.136131|3.447726|5.155699|4.001095|8.591051|3.225272|0.078103|2.933148|3.583651|2.656491|3.233272|2.996448|2.837586|4.576246|0.085149|0.106322|3.623981|4.002550|2.246664|3.641094|2.123253|1.848942|1.730760|1.812425|2.067383|2.280535|3.736213|2.408782|2.968271|1.552409|2.751285|1.460728|0.301263|0.500000| |17.570725|8.923273|6.280977|4.592252|6.160188|8.300687|0.157031|3.457966|5.415959|0.179487|4.302649|5.594862|4.003922|8.310618|3.092110|0.077261|2.758266|3.285202|2.421152|2.942839|2.811769|2.587542|3.953437|0.073475|0.092105|2.982808|3.355945|2.075116|3.362275|1.983184|1.754945|1.655873|1.729228|1.943943|2.112725|3.509611|2.221824|2.858242|1.483552|2.656247|1.414380|0.300645|0.301938|0.500000| |3.474821|4.646986|6.260803|8.938005|8.547254|6.402207|0.108882|17.570783|5.277230|0.115561|5.767187|6.189196|3.632329|5.756141|3.216105|0.090568|2.563038|3.232044|2.647269|3.287719|4.007629|3.754231|5.002004|0.093211|0.121339|3.059056|3.181840|2.043919|3.472841|1.844207|1.683542|1.539451|1.520810|1.634787|1.812693|2.788989|1.651102|2.482922|1.287861|2.521374|1.401604|0.089027|0.085511|0.093765|0.500000| |3.282537|4.424015|5.461275|8.929454|10.250504|6.766172|0.116553|17.590107|4.372542|0.098924|4.192826|5.725238|3.624082|5.704756|3.418634|0.095205|2.700574|3.534314|3.031219|3.809809|5.067595|5.227208|6.860056|0.128090|0.172086|3.775115|3.698553|2.218585|3.826234|1.951257|1.768997|1.595640|1.563691|1.684807|1.894711|2.847806|1.683970|2.529991|1.318541|2.602346|1.454232|0.084621|0.083957|0.084780|0.302917|0.500000| |3.429184|4.568753|6.436937|8.775921|7.990623|6.120243|0.102665|17.582538|5.934661|0.123503|5.882664|8.259781|4.654284|6.810679|4.275610|0.124647|3.181173|3.993370|3.380238|4.400785|5.940300|5.002767|6.056650|0.106927|0.143525|3.631323|3.926122|2.461203|4.166773|2.167236|1.961557|1.761898|1.721460|1.853851|2.093668|3.109729|1.828212|2.771841|1.425047|2.861869|1.597131|0.092130|0.084220|0.088659|0.303362|0.300106|0.500000| |3.664518|4.510585|6.581607|6.030331|5.825772|5.266839|0.089950|6.720956|8.724845|0.173794|17.566613|9.488174|4.677308|7.089313|3.810844|0.111023|2.985560|3.531222|2.751195|3.417402|3.828297|3.193213|4.138933|0.075042|0.095105|2.772345|3.149375|2.217207|3.664991|2.046129|1.870243|1.722173|1.710742|1.838993|2.026084|3.136937|1.849166|2.795864|1.424394|2.811515|1.549860|0.100745|0.085513|0.101021|0.203586|0.136441|0.214003|0.500000| |3.727562|4.141080|5.455022|4.402101|4.671807|4.591989|0.080508|4.309006|8.840784|0.218462|17.576280|9.600756|4.893718|7.715507|3.788135|0.109056|3.103648|3.528501|2.618426|3.167912|3.267437|2.706014|3.564397|0.064863|0.079882|2.517500|2.945674|2.232751|3.621934|2.121661|1.942274|1.814769|1.826721|1.968600|2.138745|3.391444|2.002937|3.005816|1.515397|2.957580|1.610498|0.108120|0.085548|0.105451|0.123752|0.096345|0.131473|0.301461|0.500000| |4.337736|5.038800|6.797038|5.381258|5.602412|5.509745|0.095323|5.029921|8.853046|0.213410|17.589225|7.648310|4.177539|6.976452|3.264815|0.090401|2.697617|3.173570|2.405136|2.937269|3.099786|2.693761|3.682564|0.067784|0.085167|2.547013|2.879094|2.013676|3.307425|1.898971|1.732029|1.620427|1.638166|1.773934|1.926617|3.088313|1.847842|2.706614|1.384876|2.646102|1.442095|0.116360|0.097594|0.129031|0.156134|0.109305|0.137928|0.302205|0.301036|0.500000| |3.779533|4.575740|6.336416|5.584026|5.704246|5.319532|0.090522|5.539663|8.944756|0.182433|7.358863|26.063497|9.390175|10.880925|7.399266|0.231706|4.810933|5.293179|4.140605|5.606054|5.991939|4.185317|5.136351|0.088223|0.113300|3.589322|4.526516|3.116540|4.989264|2.784349|2.469280|2.203805|2.166843|2.365531|2.709375|3.923825|2.303235|3.439366|1.719888|3.508474|1.925505|0.112307|0.089388|0.095971|0.133200|0.123847|0.197811|0.212083|0.190811|0.145650|0.500000| |3.464059|3.472465|3.529023|3.119291|3.987109|4.231777|0.079013|2.770237|3.826160|0.109239|3.047490|6.624504|7.329181|14.000353|8.845846|0.176209|17.667125|12.252666|6.094199|6.440494|4.326169|3.460710|4.688876|0.082127|0.093226|4.172509|6.081095|6.194866|8.079412|5.836077|4.225196|3.616546|3.770746|4.770903|6.553249|7.531939|4.654108|5.490271|2.649095|5.179155|2.646952|0.113968|0.090409|0.083305|0.068640|0.071486|0.082368|0.079627|0.084471|0.074866|0.120575|0.500000| |2.820524|2.910161|3.116353|2.831169|3.521719|3.584909|0.066664|2.657806|3.531827|0.097767|2.993989|6.377659|6.207485|9.828633|8.751826|0.224500|17.620076|12.246404|5.995400|5.693166|4.209008|3.267438|4.128771|0.073306|0.081618|3.413132|4.533984|6.989202|8.941881|6.747133|5.173758|4.237754|4.124097|4.775401|6.293367|7.020717|3.888007|5.891953|2.747822|6.045655|3.138671|0.089531|0.072709|0.070456|0.066516|0.068553|0.081685|0.080050|0.085710|0.072259|0.126134|0.302610|0.500000| |2.614555|2.871695|2.948920|3.015736|4.077020|3.969917|0.075824|2.857228|2.858581|0.074798|2.431825|4.694193|4.132337|6.745776|5.686967|0.140274|5.811923|12.426224|17.608525|8.625359|6.222141|5.858720|7.109843|0.125224|0.119515|6.582905|7.098869|7.091482|13.043750|4.628401|3.720577|2.966554|2.781543|3.111789|4.019044|4.815820|2.776006|4.135458|2.139015|4.500082|2.499620|0.076798|0.071385|0.063672|0.068459|0.079754|0.084681|0.068382|0.064645|0.060885|0.095856|0.139684|0.129288|0.500000| |2.478705|2.758728|2.981210|3.047783|3.915203|3.712993|0.069409|3.026183|3.027939|0.077639|2.639773|5.225349|4.442301|6.711318|6.771281|0.195099|6.368415|12.349910|17.529205|8.758584|7.207911|5.670122|6.021818|0.105580|0.107414|4.742922|5.502999|7.111107|12.987789|4.662864|3.952877|3.091154|2.803694|3.027647|3.825736|4.609551|2.582029|4.171464|2.113362|4.751127|2.705130|0.073128|0.065795|0.061451|0.072594|0.083171|0.094039|0.075606|0.071212|0.064644|0.112834|0.135832|0.152352|0.304052|0.500000| |2.785726|3.329865|3.878547|4.271646|5.167632|4.536009|0.081535|4.593027|3.855488|0.092023|3.398090|6.787909|5.050495|7.065014|6.703818|0.213487|4.756611|6.734818|7.044433|8.786055|17.567071|8.980327|7.640130|0.127212|0.143858|4.901976|5.496381|3.933773|6.845962|3.111355|2.754581|2.328227|2.189360|2.355548|2.803482|3.766711|2.162195|3.395375|1.731878|3.702943|2.100990|0.079778|0.072036|0.069292|0.103664|0.126462|0.154781|0.102781|0.088157|0.081103|0.160579|0.110023|0.116840|0.159076|0.225780|0.500000| |3.620197|4.712830|5.913504|6.937121|7.695763|6.399591|0.108216|6.999031|5.422711|0.120954|4.411093|9.487559|6.538189|8.869410|7.012873|0.191899|4.572150|5.873253|5.500884|8.853467|17.640777|8.987898|9.501747|0.145879|0.208877|5.673105|6.695042|3.360704|5.618471|2.794873|2.438348|2.121055|2.057783|2.257763|2.656426|3.710672|2.189965|3.230649|1.651184|3.364994|1.869753|0.101710|0.091124|0.087956|0.141490|0.178819|0.238022|0.133490|0.107328|0.103474|0.214334|0.113567|0.109172|0.130988|0.146811|0.304057|0.500000| |2.598505|3.061243|3.248158|3.714519|5.137459|4.527236|0.085504|3.757637|2.957948|0.073752|2.590892|4.641277|3.630829|5.736395|4.374428|0.117625|3.693162|5.815556|6.296887|6.591035|8.729186|17.616355|12.434262|0.223530|0.180060|7.093236|5.753764|3.604477|6.685595|2.824954|2.488113|2.117218|2.007568|2.174830|2.583724|3.520650|2.045897|3.128345|1.639246|3.376914|1.913714|0.072443|0.070571|0.063996|0.086388|0.113654|0.109972|0.076116|0.066474|0.065352|0.098794|0.092464|0.088583|0.191696|0.174631|0.213069|0.173980|0.500000| |2.753961|3.409438|3.784428|4.761490|6.460242|5.171025|0.094991|5.274044|3.324046|0.079910|2.976034|5.041787|3.647189|5.660281|4.039600|0.112012|3.227190|4.642710|4.511757|5.430471|8.789139|17.629020|12.367131|0.223970|0.221658|5.611380|4.874808|2.885431|5.176538|2.382778|2.134894|1.861917|1.784602|1.922879|2.229542|3.165241|1.848946|2.826467|1.477700|3.006643|1.700893|0.074795|0.073467|0.068581|0.114946|0.174834|0.152525|0.090544|0.074209|0.075123|0.109992|0.082085|0.079367|0.123970|0.127032|0.212593|0.218617|0.301231|0.500000| |2.988867|3.369822|3.274671|3.498209|5.159447|5.041364|0.099125|3.159902|2.913611|0.075966|2.439483|4.450279|3.770565|6.498494|4.360402|0.105158|4.038887|6.518593|6.326915|6.583746|5.771435|7.096557|12.445516|0.223831|0.180038|17.627931|8.700291|3.950382|6.997214|3.129839|2.627046|2.251526|2.200758|2.476822|3.005514|4.068477|2.444963|3.403853|1.798423|3.509566|1.930715|0.084194|0.084666|0.071236|0.074588|0.091232|0.088231|0.068430|0.062802|0.062615|0.088116|0.109131|0.092155|0.225886|0.141454|0.129775|0.132541|0.217043|0.145296|0.500000| |3.784487|4.302207|3.859699|4.085271|6.533257|6.863637|0.140142|3.406373|3.221575|0.085041|2.622509|4.651763|3.906461|7.132791|4.027149|0.095121|3.646854|5.274667|4.537492|5.433343|4.890275|5.615474|12.369235|0.223877|0.221339|17.629625|8.809885|3.197911|5.430374|2.711336|2.290883|2.025313|2.031961|2.311695|2.733091|3.923239|2.429229|3.197275|1.691315|3.172998|1.722660|0.103248|0.111656|0.087110|0.080569|0.097146|0.090787|0.072180|0.066234|0.068544|0.088549|0.104504|0.083985|0.138831|0.104709|0.107847|0.127260|0.145266|0.126687|0.301507|0.500000| |5.320025|6.451208|6.073842|5.626450|7.743312|8.510173|0.147641|4.298406|5.114678|0.132930|3.692612|7.938114|7.596407|13.955723|6.908426|0.144119|5.394255|6.704819|5.501168|8.742862|6.629248|5.620980|9.434256|0.145295|0.207014|8.982538|17.632912|3.673820|5.818343|3.134721|2.586827|2.276082|2.301085|2.661432|3.204889|4.490827|2.805443|3.585889|1.840610|3.514618|1.887249|0.157008|0.140155|0.114807|0.098794|0.111547|0.119377|0.098493|0.092018|0.092246|0.138568|0.157704|0.116937|0.141456|0.122782|0.136405|0.190406|0.131707|0.126220|0.173709|0.219896|0.500000| |3.911962|4.170186|3.956349|3.747422|5.199792|5.582928|0.105936|3.175713|3.689281|0.100239|2.884568|5.886940|5.826936|11.032146|6.626542|0.136379|6.603771|9.379946|7.129958|8.760416|5.504417|4.893363|7.628305|0.127072|0.143538|8.979694|17.594398|4.892781|7.483424|4.009577|3.127651|2.685221|2.721804|3.248727|4.144621|5.365725|3.377914|4.128047|2.121532|4.037226|2.143294|0.119419|0.108439|0.089252|0.075859|0.085141|0.090386|0.077435|0.075257|0.072754|0.108409|0.202474|0.133658|0.195836|0.141768|0.123354|0.137471|0.129662|0.107678|0.212582|0.212631|0.305829|0.500000| |1.806836|1.853085|1.922698|1.862306|2.426784|2.424862|0.046918|1.821374|2.034295|0.055790|1.854932|3.258952|2.722555|4.599767|3.346013|0.094333|4.203013|6.757714|4.007118|3.163514|2.706134|2.417323|3.026153|0.057165|0.057683|2.453514|2.755026|7.293909|13.011413|8.976426|17.796596|8.857054|5.620864|4.944329|5.647496|6.522260|3.136970|7.489234|3.637839|12.496654|7.461590|0.054364|0.048682|0.046381|0.046583|0.049289|0.054583|0.051261|0.052533|0.046895|0.067416|0.103673|0.129096|0.104381|0.115811|0.078859|0.067713|0.071096|0.060592|0.072200|0.061824|0.068756|0.081690|0.500000| |2.625535|2.556115|2.517006|2.314107|3.069818|3.253143|0.063256|2.107419|2.631679|0.075521|2.234079|4.176263|3.894364|7.441729|4.483213|0.106806|6.784377|9.268391|4.605834|4.090772|3.083103|2.712237|3.714537|0.068336|0.072117|3.321543|4.107096|6.950285|8.921191|8.915607|5.634622|4.940751|5.630357|8.898294|17.792398|12.568363|7.497225|7.510629|3.621911|6.521767|3.135903|0.083038|0.071778|0.065075|0.053322|0.055939|0.061485|0.059197|0.062324|0.056788|0.079643|0.230555|0.174515|0.120485|0.108356|0.081258|0.079361|0.076222|0.065647|0.093396|0.086646|0.103397|0.141324|0.124517|0.500000| |2.301909|2.101797|2.012188|1.818857|2.435808|2.644428|0.052701|1.651624|2.111304|0.063108|1.856443|3.090632|2.653204|5.302765|2.659255|0.066889|3.237920|4.091239|2.490861|2.430801|2.037979|1.861764|2.617049|0.049665|0.052624|2.218856|2.548042|3.028848|4.637667|3.622762|3.184996|3.412566|4.430398|5.890997|4.908265|17.025336|17.656196|7.659003|3.961193|5.125132|2.408025|0.072534|0.064054|0.059554|0.043154|0.043670|0.047117|0.048247|0.052523|0.048851|0.058404|0.105277|0.090341|0.067004|0.062723|0.054006|0.055168|0.051369|0.047049|0.060808|0.061388|0.069825|0.081221|0.075148|0.146401|0.500000| |2.442976|2.271038|2.163464|1.977720|2.674563|2.899343|0.057828|1.786543|2.227918|0.065516|1.924285|3.323910|2.935607|5.859837|3.054223|0.075004|3.867942|5.119831|3.026538|2.874572|2.333835|2.141851|3.031759|0.057293|0.059996|2.658793|3.073152|3.822672|5.732921|4.571835|3.729647|3.773777|4.739035|6.997625|6.715215|16.433041|17.554228|7.352553|3.841635|5.427804|2.575830|0.076744|0.068671|0.061692|0.046048|0.047577|0.050999|0.050457|0.053691|0.050234|0.062839|0.128813|0.103192|0.082830|0.074128|0.061215|0.061967|0.059737|0.053209|0.073933|0.073293|0.081702|0.102367|0.086722|0.226694|0.300115|0.500000| |2.734056|2.507566|2.420573|2.151242|2.843709|3.096094|0.060677|1.933845|2.583175|0.077691|2.211773|3.893313|3.499907|7.176393|3.511613|0.085760|4.546806|5.376404|3.114387|3.075816|2.480687|2.201336|3.079905|0.057319|0.061999|2.649959|3.201699|3.810282|5.534802|4.583627|3.740382|3.795819|4.787748|7.057601|6.737053|16.442103|17.554391|7.474375|3.586488|5.455998|2.584843|0.088851|0.074631|0.069320|0.049999|0.050629|0.055677|0.057071|0.062673|0.057234|0.072423|0.159817|0.126153|0.081434|0.076735|0.065223|0.067078|0.060203|0.054887|0.071671|0.072106|0.087739|0.104330|0.086761|0.223298|0.300102|0.298527|0.500000| |1.487049|1.436581|1.434351|1.349790|1.788730|1.855028|0.036782|1.287367|1.515789|0.043542|1.404072|2.252230|1.833560|3.354315|1.949241|0.052577|2.303848|3.132508|1.969653|1.813419|1.599493|1.480122|1.986194|0.038357|0.039316|1.608547|1.767846|2.573876|4.248049|3.215017|3.541004|4.686370|5.913753|4.667982|3.530098|8.629628|3.668588|16.897676|17.645104|8.687473|3.694405|0.044900|0.040776|0.039272|0.033952|0.034541|0.037296|0.037646|0.040229|0.036808|0.044771|0.065967|0.068434|0.053271|0.052967|0.044388|0.042593|0.041888|0.038173|0.045582|0.043288|0.047122|0.053381|0.085903|0.085743|0.101074|0.093090|0.089428|0.500000| |1.498178|1.465831|1.468586|1.395605|1.853639|1.908660|0.037803|1.336945|1.541640|0.043810|1.421897|2.317878|1.898888|3.433029|2.072575|0.056033|2.479610|3.501141|2.187839|1.956938|1.717541|1.595317|2.123855|0.041051|0.041593|1.728108|1.889033|3.005450|5.052355|3.843829|4.498267|6.305509|7.197551|5.157902|4.013369|8.383839|3.556955|16.429327|17.589314|12.179697|4.881877|0.045072|0.041143|0.039252|0.035030|0.036075|0.038864|0.038421|0.040497|0.037078|0.046392|0.069744|0.073339|0.059683|0.059146|0.047918|0.045121|0.045691|0.040929|0.049659|0.046108|0.049531|0.057203|0.108526|0.093949|0.092802|0.094511|0.087148|0.299692|0.500000| |1.623538|1.563843|1.546602|1.455113|1.942735|2.026856|0.040314|1.374786|1.618142|0.046504|1.475765|2.414118|2.001220|3.701453|2.146073|0.056839|2.593410|3.594781|2.221111|2.021155|1.750065|1.625478|2.201117|0.042453|0.043303|1.816082|1.999242|2.995832|4.888397|3.842479|4.041175|5.201665|7.194010|6.222257|4.457909|11.886917|4.761196|16.432356|17.581169|8.483309|3.605659|0.049203|0.044866|0.042429|0.035997|0.036972|0.039704|0.039511|0.041917|0.038629|0.047637|0.075527|0.075459|0.060762|0.058666|0.048083|0.046246|0.046215|0.041500|0.051798|0.049004|0.052781|0.061546|0.094593|0.107613|0.127210|0.124760|0.108430|0.299658|0.298373|0.500000| |1.394016|1.406197|1.451370|1.403224|1.833434|1.838246|0.035953|1.385379|1.541716|0.042808|1.455091|2.363301|1.885060|3.251838|2.124878|0.060464|2.454777|3.521634|2.280750|1.996842|1.811934|1.665867|2.128917|0.041090|0.041496|1.675117|1.822901|3.078955|5.488469|3.627318|4.914627|5.894781|4.428267|3.412820|3.185557|5.123258|2.407993|7.636553|4.011587|17.011573|17.659010|0.041499|0.037679|0.036661|0.036328|0.037503|0.041015|0.040105|0.041742|0.037506|0.048847|0.064512|0.075093|0.060875|0.065463|0.052536|0.047197|0.048112|0.043264|0.048363|0.043606|0.047456|0.053164|0.145918|0.075135|0.061636|0.064479|0.064716|0.101877|0.130667|0.094095|0.500000| 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