Version2.0 2020-02-16T19:06:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Dec-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)c4ccc(o4)c5ccc(cc5)F C44714218 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)c4ccc(o4)c5ccc(cc5)F C01[X(C27H33F1N5O3)] 201 C1 606 Fc1ccc(cc1)c1ccc(o1)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](c1c(C)n[nH]c1C)C Fc1ccc(cc1)c1ccc(o1)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](c1c(C)n[nH]c1C)C C[C@H](NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3oc(cc3)c4ccc(F)cc4)c5c(C)[nH]nc5C InChIKey=ZGXXLOXIHPYMAW-KKSFZXQISA-O InChI=1S/C27H32FN5O3/c1-16(24-17(2)31-32-18(24)3)30-25(34)21-14-33(15-27(21)10-12-29-13-11-27)26(35)23-9-8-22(36-23)19-4-6-20(28)7-5-19/h4-9,16,21,29H,10-15H2,1-3H3,(H,30,34)(H,31,32)/p+1/t16-,21-/m0/s1 InChI=1/C27H32FN5O3/c1-16(24-17(2)31-32-18(24)3)30-25(34)21-14-33(15-27(21)10-12-29-13-11-27)26(35)23-9-8-22(36-23)19-4-6-20(28)7-5-19/h4-9,16,21,29H,10-15H2,1-3H3,(H,30,34)(H,31,32)/p+1/t16-,21-/m0/s1/fC27H33FN5O3/h29-31H/q+1 Cc1c(c(n[nH]1)C)[C@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccc(cc5)F C01[X(C27H33F1N5O3)] 201 C01 606 Fc1ccc(cc1)c1ccc(o1)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](c1c(C)n[nH]c1C)C O=C([C@@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccc(o1)c1ccc(cc1)F)N[C@H]([C@@H]1[C@@H](C)NN[C@H]1C)C C[C@H]1NN[C@@H](C)[C@@H]1[C@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)c4oc(cc4)c5ccc(F)cc5 InChIKey=XRTIHWLOXRUGQI-BQIJOASKSA-N InChI=1S/C27H37FN5O3/c1-16(24-17(2)31-32-18(24)3)30-25(34)21-14-33(15-27(21)10-12-29-13-11-27)26(35)23-9-8-22(36-23)19-4-6-20(28)7-5-19/h4-9,16-18,21,24,31-32H,10-15,29H2,1-3H3,(H,30,34)/t16-,17-,18+,21-,24-/m0/s1 InChI=1/C27H37FN5O3/c1-16(24-17(2)31-32-18(24)3)30-25(34)21-14-33(15-27(21)10-12-29-13-11-27)26(35)23-9-8-22(36-23)19-4-6-20(28)7-5-19/h4-9,16-18,21,24,31-32H,10-15,29H2,1-3H3,(H,30,34)/t16-,17-,18+,21-,24-/m0/s1/f/h30H 3874.4658685142 -1637.7339964 1-A 22506.3064 131 475 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.37322 -20.71591 -20.62764 -20.60720 -15.86353 -15.70448 -15.68441 -15.68405 -15.64744 -11.45411 -11.45201 -11.44704 -11.44158 -11.39349 -11.38768 -11.38674 -11.38229 -11.37520 -11.37039 -11.36858 -11.36389 -11.36244 -11.36185 -11.35374 -11.32778 -11.32294 -11.31878 -11.31855 -11.31757 -11.31308 -11.30643 -11.30555 -11.30214 -11.29733 -11.29498 -11.29252 -1.69249 -1.55991 -1.49836 -1.49557 -1.48013 -1.45755 -1.36486 -1.33589 -1.25651 -1.24278 -1.21242 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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 63 64 65 66 67 68 69 6 6 6 6 7 7 1 6 6 1 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 8 6 6 6 6 6 6 9 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 14.00307 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 17488.2080 26311.0794 38759.7842 0.99997 -0.00053 0.00706 0.00060 0.99996 -0.00941 -0.00706 0.00942 0.99993 1 0.00495 0.00329 0.00223 0.10320 0.06859 0.04656 10.84 15.41 28.94 36.94 44.00 50.36 64.21 69.18 80.90 102.84 121.58 126.55 137.71 172.03 186.51 216.41 229.61 232.90 258.27 273.26 302.43 306.70 320.20 342.85 352.99 367.83 390.08 405.07 407.70 430.71 436.07 477.31 509.20 536.11 537.59 558.76 581.15 616.62 632.28 664.03 664.70 680.20 699.04 715.00 718.67 765.03 780.99 813.07 836.78 840.79 851.05 893.91 933.64 950.07 970.74 986.66 1003.41 1050.66 1071.54 1073.81 1086.12 1148.70 1157.63 1194.65 1196.64 1211.01 1237.03 1244.69 1258.79 1274.84 1296.23 1328.00 1342.93 1350.17 1369.00 1375.50 1402.98 1425.70 1426.26 1464.05 1490.73 1514.95 1542.76 1549.83 1554.93 1559.99 1567.91 1577.09 1592.09 1599.76 1601.91 1604.02 1605.86 1612.77 1630.77 1637.65 1671.99 1682.17 1691.71 1694.83 1702.99 1719.40 1752.52 1766.92 1773.93 1789.75 1835.81 1846.44 1847.73 1856.51 1892.38 1901.81 1919.85 1930.21 1932.92 1943.24 1957.11 1981.60 2000.83 2014.73 2026.54 2043.15 2076.78 2078.26 2087.72 2093.29 2111.70 2135.35 2152.69 2167.47 2173.36 2176.53 2206.18 2224.24 2227.17 2236.88 2240.54 2244.42 2251.24 2256.87 2268.16 2271.92 2277.62 2281.59 2326.32 2332.37 2339.00 2351.14 2351.68 2353.48 2356.99 2363.51 2379.05 2384.49 2388.06 2396.75 2413.45 2426.28 2433.98 2447.83 2484.55 2564.38 2579.41 2599.10 2623.65 2628.77 2733.65 2763.63 4605.93 4615.04 4622.28 4629.87 4631.36 4641.00 4688.28 4701.43 4703.72 4704.93 4715.22 4716.73 4720.32 4724.49 4742.74 4749.23 4753.78 4755.28 4762.10 4770.13 4788.90 4800.27 4814.81 4873.03 4884.01 4904.54 4906.91 4968.49 4994.32 5273.54 5366.55 5588.83 5628.56 0.625688 0.657352 0.658296 0.556893 -1637.108309 -1637.076644 -1637.075700 -1637.177103 3.401073D-04 MUNgauss RevisionA2.0 retrievium 16-Feb-2020 DUDE Cc1c(c(n[nH]1)C)[C@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccc(cc5)F C44714218 RHF 6-31G(d) (6D,10F) C1 494.256743 |X|Y|Z| 90.393181 113.066174 39.386308 73.836519 30 6 7 8 24 5 1 |36.858105| |12.708101|36.858105| |7.250966|13.875085|36.858105| |5.149554|8.614920|13.333494|36.858105| |5.228047|8.540477|8.478111|14.660245|53.358707| |7.688734|14.245055|8.798003|9.089499|19.464690|53.358707| |6.868441|9.083543|6.073975|6.288158|12.887431|26.087573|0.500000| |3.695012|5.163029|7.176722|12.682379|10.711615|7.348724|0.120561|36.858105| |5.816135|7.416285|12.659190|7.180900|6.992361|7.143172|0.115865|5.692138|36.858105| |6.727826|7.148832|9.010759|5.470850|5.974157|6.587716|0.111133|4.357576|17.611321|0.500000| |4.311402|5.175370|7.486615|5.830962|5.857787|5.660526|0.095768|5.463709|12.448983|0.249445|36.858105| |4.542991|5.465453|7.841145|5.904587|5.994787|5.879692|0.099139|5.318866|12.912725|0.256471|7.694916|53.358707| |3.814140|4.150921|5.185346|4.171779|4.592142|4.607380|0.081221|3.931596|7.702265|0.202432|5.977619|19.330617|36.858105| |3.667372|3.778689|4.511871|3.597041|4.066816|4.168194|0.074657|3.368802|6.764957|0.203905|5.899820|11.554437|15.786290|73.516695| |3.115859|3.363130|3.977799|3.496633|4.009915|3.957322|0.071525|3.438667|4.972338|0.130492|4.173037|10.667169|12.492167|14.229337|36.858105| |3.135962|3.491003|4.142999|3.787899|4.348791|4.208849|0.075831|3.769233|4.823218|0.121609|3.955563|10.443359|8.870419|10.445006|17.537713|0.500000| |2.925532|2.990232|3.311004|2.899596|3.479081|3.539572|0.065576|2.772878|3.939517|0.111084|3.323377|7.238145|7.474857|11.382344|12.419917|0.247627|36.858105| |2.400792|2.473183|2.721659|2.485392|3.023179|3.022969|0.056710|2.455308|3.130777|0.086415|2.785717|5.483264|5.153965|8.229153|8.140759|0.192791|13.026860|53.358707| |2.259056|2.392321|2.699845|2.531897|3.038020|2.962781|0.055246|2.596500|3.109806|0.082873|2.864969|5.510647|5.029810|7.815866|8.078815|0.202301|7.875727|17.884961|36.858105| |2.532267|2.729062|3.203005|2.950079|3.421303|3.311482|0.060653|3.055504|3.903876|0.101692|3.653522|7.320398|7.291442|10.815815|12.259765|0.248680|7.845568|11.048771|12.382754|36.858105| |2.411459|2.686927|3.232801|3.126534|3.569931|3.338633|0.060817|3.446878|3.833364|0.095004|3.777613|6.976534|5.846096|8.606427|7.461198|0.200633|5.011547|6.981285|7.419101|12.394715|36.858105| |2.036752|2.233687|2.615484|2.569969|3.012505|2.822139|0.052206|2.854419|3.017918|0.076617|3.101402|5.024903|4.113579|6.646012|4.851802|0.129300|3.839703|5.712493|5.981160|7.456571|12.500551|36.858105| |1.972533|2.122593|2.463246|2.365111|2.784832|2.650474|0.049209|2.568201|2.907633|0.075632|3.083368|4.661309|3.947349|6.871217|4.354380|0.108706|3.622699|5.292536|5.087066|6.465523|7.698380|12.658522|53.358707| |1.788787|1.914925|2.192670|2.127042|2.538279|2.415811|0.045197|2.313215|2.534522|0.066388|2.698778|3.954559|3.265364|5.741195|3.559971|0.091030|3.089944|4.572522|4.258537|4.911697|5.679289|9.169445|25.686832|0.500000| |2.060948|2.230388|2.620969|2.507757|2.919664|2.770049|0.051148|2.742024|3.146088|0.081177|3.471934|4.939897|4.120800|7.315759|4.236977|0.105291|3.445646|4.781404|4.352313|5.810868|7.067327|9.202599|25.668833|0.328158|0.500000| |2.018637|2.123786|2.426290|2.266837|2.691906|2.615677|0.048753|2.375935|2.904756|0.077970|2.985014|4.696447|4.243039|7.720311|4.829652|0.113190|4.294457|6.468500|6.037083|7.450833|6.492937|7.593510|17.185592|0.254256|0.255528|36.858105| |2.381377|2.501340|2.893934|2.621175|3.067038|3.010392|0.055534|2.685762|3.608611|0.097614|3.572772|6.166426|6.233127|11.439628|7.371239|0.152200|6.170272|8.509913|7.512437|12.324090|7.587073|6.483444|10.461404|0.157600|0.196219|12.504170|36.858105| |2.137400|2.169631|2.327136|2.152821|2.678797|2.694129|0.051311|2.120213|2.594754|0.072343|2.332900|4.319459|3.812786|6.323181|5.197263|0.134599|7.467451|19.033134|7.927099|5.245731|3.875307|3.429874|4.388993|0.080696|0.080844|3.868455|4.541564|36.858105| |1.906339|1.951060|2.093695|1.974942|2.470984|2.459377|0.047059|1.976757|2.303099|0.063471|2.113396|3.771305|3.225087|5.362982|4.251694|0.114167|5.274322|11.637504|7.191931|4.626941|3.670812|3.430140|4.335245|0.081602|0.078341|3.740728|4.056392|15.808080|73.516695| |2.150422|2.126881|2.223413|2.034511|2.571451|2.634578|0.050695|1.961327|2.448303|0.069868|2.177590|3.945117|3.415612|5.831211|4.263383|0.110980|6.265265|10.552847|5.052320|3.980893|3.088688|2.751180|3.610115|0.067296|0.068344|3.133458|3.660532|12.948738|14.625117|36.858105| |1.924270|1.891898|1.950153|1.806033|2.316212|2.376350|0.046242|1.743142|2.105036|0.060052|1.893004|3.299569|2.760297|4.754269|3.291566|0.088074|4.361163|6.955625|3.862630|3.138628|2.571606|2.356893|3.102829|0.058991|0.058960|2.633498|2.942778|7.524607|11.695024|14.168493|36.858105| |1.967002|1.893597|1.917937|1.759258|2.276870|2.369863|0.046446|1.672871|2.057848|0.059658|1.840412|3.154460|2.611400|4.576958|2.973626|0.079194|3.890291|5.595099|3.183253|2.752282|2.286167|2.086105|2.781092|0.052949|0.053739|2.342345|2.636251|5.202085|7.970016|8.594708|13.356582|36.858105| |2.245950|2.131899|2.153544|1.936905|2.492178|2.622486|0.051133|1.817254|2.340441|0.068984|2.061541|3.595694|3.028211|5.369564|3.397076|0.088498|4.662066|6.180409|3.380806|3.020891|2.454624|2.192542|2.942644|0.055341|0.057412|2.500913|2.912340|5.311816|7.544549|8.739468|8.570300|14.089805|36.858105| |2.408889|2.326884|2.402706|2.147011|2.715398|2.832366|0.054478|2.025993|2.669444|0.078164|2.331753|4.251910|3.725701|6.518391|4.407624|0.111586|6.828503|9.003770|4.402820|3.837958|2.966664|2.590983|3.456942|0.063974|0.066919|2.998318|3.628319|7.701099|9.556895|14.050896|8.616348|8.632696|14.180762|73.516695| |2.396467|2.206787|2.184070|1.937298|2.512697|2.691448|0.052819|1.787632|2.363184|0.071231|2.071504|3.519638|2.918041|5.296018|3.087136|0.080189|4.024455|4.977859|2.863380|2.697176|2.236262|1.994530|2.704932|0.050940|0.053650|2.272575|2.651200|3.920100|5.779667|5.358947|5.178369|7.372920|12.982481|14.102845|36.858105| |2.696275|2.431337|2.404184|2.083689|2.679474|2.900107|0.056522|1.901626|2.656822|0.082294|2.316034|3.899638|3.282005|6.174960|3.315800|0.083859|4.273695|4.965390|2.888373|2.841637|2.338916|2.066307|2.840852|0.053102|0.057050|2.400342|2.860905|3.655891|5.355830|4.583664|4.108704|5.044761|7.657207|11.982793|13.683545|36.858105| |2.756971|2.410348|2.330427|2.011830|2.617577|2.873852|0.056586|1.816878|2.539674|0.079832|2.230738|3.582423|2.920004|5.559521|2.831951|0.072564|3.409481|3.991285|2.434053|2.450111|2.078961|1.851981|2.558759|0.048150|0.051983|2.123829|2.488162|2.897662|4.398625|3.442237|3.197138|3.830708|5.067450|8.061584|7.894194|13.777516|36.858105| |2.483106|2.175405|2.076385|1.825726|2.412969|2.649626|0.052919|1.653387|2.203985|0.068094|1.952700|3.085696|2.452546|4.569185|2.409755|0.063163|2.839608|3.438143|2.134434|2.118776|1.835027|1.653103|2.268703|0.043086|0.045978|1.857683|2.127960|2.555041|3.970792|3.043946|2.963216|3.639166|4.507593|6.782546|6.904924|8.018975|13.822374|36.858105| |2.242296|2.008433|1.927139|1.722638|2.286752|2.485853|0.049821|1.574523|2.024301|0.061331|1.796784|2.880344|2.282710|4.165887|2.309618|0.061347|2.750630|3.426600|2.116191|2.049996|1.779137|1.611303|2.191953|0.041802|0.044037|1.791303|2.030896|2.626956|4.115464|3.221385|3.276435|4.244138|5.074117|7.054228|7.891404|6.865608|7.897516|13.809694|36.858105| |2.212087|2.022895|1.970554|1.768914|2.329870|2.505310|0.049824|1.630253|2.084867|0.062516|1.842684|3.041640|2.447109|4.413471|2.553718|0.067805|3.152574|3.989528|2.396809|2.265736|1.935838|1.747984|2.363604|0.044955|0.047035|1.949830|2.221384|3.154352|4.868641|4.099010|4.278917|6.112814|7.677611|9.265507|13.670510|7.943735|6.869674|8.022594|13.792192|36.858105| |2.416387|2.089801|1.970810|1.738388|2.317810|2.560497|0.051599|1.569452|2.069208|0.064044|1.853417|2.831844|2.211132|4.135221|2.135075|0.056293|2.434038|2.963435|1.885778|1.894657|1.670392|1.514820|2.085258|0.039792|0.042539|1.688334|1.912366|2.180223|3.445928|2.516352|2.457555|2.913006|3.431868|5.385794|4.664988|5.318298|8.180315|14.380480|8.175200|5.319489|97.533100| |17.556077|8.890739|6.045830|4.535544|6.265806|8.642549|0.165010|3.392453|5.174268|0.168130|4.212004|5.364610|3.402481|6.028208|2.779182|0.076535|2.615007|2.971595|2.070577|2.325816|2.230590|1.916434|2.560306|0.047671|0.054962|1.920699|2.237273|1.956244|3.125736|1.968484|1.774567|1.818565|2.064747|3.904457|2.215208|2.504974|2.607341|2.361167|2.113942|2.060806|5.267487|0.500000| |17.572610|8.906026|5.558951|4.448452|6.579632|9.786337|0.204920|3.299263|4.500332|0.138135|3.494268|5.206192|3.304124|5.603365|2.830893|0.080272|2.724876|3.089853|2.121642|2.321851|2.209173|1.884041|2.469694|0.046016|0.052170|1.859418|2.169569|2.056660|3.274219|2.094389|1.897593|1.956007|2.220829|4.165070|2.385284|2.640420|2.723989|2.512407|2.289551|2.241889|5.540660|0.301644|0.500000| |17.605893|8.892341|6.646120|4.595858|5.967216|7.808326|0.141812|3.465211|6.272577|0.225837|4.446901|6.901583|4.418336|7.687539|3.518817|0.096146|3.367836|3.649223|2.471917|2.783647|2.575835|2.154104|2.858556|0.052550|0.060774|2.186612|2.631757|2.365766|3.693881|2.399711|2.120590|2.179940|2.538711|4.882604|2.739733|3.162774|3.228030|2.825910|2.510514|2.483055|6.096525|0.301775|0.302403|0.500000| |3.451849|4.608040|6.472664|8.826174|8.050327|6.181077|0.103766|17.541655|5.881548|0.122892|5.566262|8.529235|4.556069|6.653277|4.064977|0.126977|3.132400|3.782995|3.007110|3.621313|4.250153|3.380937|4.017014|0.072735|0.087317|2.693401|3.074671|2.356307|3.903065|2.138933|1.880240|1.782831|1.935840|3.893015|1.879382|1.992918|1.876707|1.696528|1.621994|1.696881|3.588579|0.087043|0.085824|0.093442|0.500000| |3.291630|4.441106|5.472453|8.982816|10.320448|6.817954|0.117381|17.611512|4.370912|0.098836|4.174651|5.755006|3.305316|5.094297|3.023216|0.093182|2.505539|3.080518|2.394399|2.731552|3.083202|2.620009|3.181944|0.059286|0.068418|2.158924|2.396403|1.987629|3.329025|1.844675|1.657410|1.589721|1.710035|3.358981|1.677780|1.764367|1.688676|1.553812|1.491623|1.544331|3.327338|0.084231|0.084529|0.084931|0.300820|0.500000| |3.419156|4.571572|6.170938|8.864831|8.491692|6.339576|0.107040|17.558612|5.344687|0.115704|5.889398|6.438319|3.650627|5.777411|3.145297|0.092579|2.558153|3.111093|2.429557|2.882970|3.276811|2.792906|3.496776|0.064686|0.077566|2.349923|2.616603|1.981211|3.299726|1.834672|1.636544|1.573914|1.707282|3.370139|1.686146|1.802872|1.733756|1.577342|1.495408|1.540518|3.388878|0.090505|0.084022|0.089202|0.302119|0.301719|0.500000| |4.457586|5.222238|6.869699|5.470946|5.819310|5.765989|0.098701|4.926423|8.843301|0.214410|17.575369|7.604841|4.591764|8.355736|3.412617|0.090740|2.858098|3.309845|2.471396|3.035146|3.114214|2.654948|3.629937|0.066234|0.082779|2.594240|3.017635|2.083465|3.376494|1.975368|1.740804|1.710130|1.909778|3.773645|1.943857|2.176937|2.138259|1.888850|1.728692|1.750985|4.090158|0.128217|0.099294|0.122954|0.129781|0.108313|0.153351|0.500000| |3.756858|4.191756|5.490998|4.440585|4.741931|4.665938|0.081512|4.306634|8.827679|0.218203|17.589689|9.505408|6.431643|12.667266|4.385878|0.109789|3.502388|4.001844|3.030981|3.967899|4.000733|3.321154|4.683044|0.082702|0.110034|3.384065|4.112493|2.440062|3.917343|2.265769|1.956499|1.897248|2.132920|4.321218|2.137901|2.412698|2.309964|1.999248|1.831515|1.883802|4.251360|0.102843|0.086451|0.111663|0.126572|0.096169|0.127321|0.301154|0.500000| |3.716240|4.612390|6.701755|6.184146|6.005070|5.422239|0.091989|6.728551|8.763551|0.174282|17.582073|9.424601|5.324501|8.792845|4.021360|0.109434|3.133772|3.682135|2.867073|3.662948|4.042467|3.329358|4.396683|0.078654|0.102027|3.000148|3.490289|2.270300|3.707914|2.088997|1.824334|1.755322|1.940184|3.901661|1.923922|2.112780|2.020430|1.789650|1.667962|1.720695|3.818341|0.099834|0.086755|0.103755|0.195471|0.136345|0.218101|0.301362|0.300355|0.500000| |4.379944|5.497318|7.701343|6.498608|6.593563|6.244732|0.104812|5.910773|9.009286|0.189046|5.967752|26.073575|9.453420|10.899265|7.495583|0.245708|5.156311|5.475629|4.085080|5.146726|5.103657|3.642735|4.407525|0.077131|0.093284|3.209766|4.077473|3.204807|5.015344|2.908920|2.446970|2.321620|2.614567|5.476374|2.528609|2.733780|2.499895|2.188812|2.074310|2.204852|4.511941|0.103157|0.106208|0.131157|0.203114|0.132621|0.135619|0.129711|0.146581|0.163439|0.500000| |2.946418|2.923548|3.197288|2.742136|3.302918|3.411178|0.063451|2.592300|3.898195|0.114819|3.344219|6.740972|7.188406|12.968110|8.786689|0.175383|17.642717|12.263260|6.112592|6.526129|4.357469|3.503626|4.761369|0.083468|0.093982|4.296956|6.274615|6.308008|8.191535|5.913959|4.213037|3.934074|4.931004|12.798350|4.428816|5.020977|3.911807|3.129362|2.955947|3.361939|5.980469|0.074236|0.075595|0.095940|0.079822|0.064758|0.067596|0.080766|0.100538|0.085398|0.126035|0.500000| |3.118713|3.149854|3.386298|2.960781|3.620983|3.739708|0.069749|2.763656|3.854967|0.109739|3.141651|6.901120|6.332699|9.514856|8.759560|0.224521|17.638243|12.248484|5.975971|5.698190|4.177529|3.274799|4.146778|0.073829|0.081324|3.464082|4.590495|6.743260|8.626407|6.455131|4.583036|4.211008|5.174822|13.344062|4.475459|4.629872|3.651675|3.067199|3.006822|3.491470|5.844102|0.075925|0.082190|0.100381|0.085540|0.070094|0.069777|0.076284|0.089241|0.082103|0.143324|0.302331|0.500000| |2.019823|2.120897|2.369133|2.239226|2.713993|2.647701|0.049763|2.311096|2.707352|0.072738|2.564905|4.585628|4.083633|6.712948|5.710580|0.143823|5.817096|12.465413|17.639853|8.586735|6.211513|6.008280|7.361746|0.130366|0.122348|6.783412|7.068709|7.322716|13.730426|4.734069|3.771551|3.068995|3.172096|7.123352|2.678822|2.680095|2.274725|2.011701|2.003653|2.265965|4.017101|0.052066|0.052900|0.060985|0.073312|0.059695|0.060960|0.062379|0.076027|0.071506|0.093201|0.140185|0.129255|0.500000| |2.210227|2.373566|2.673794|2.570285|3.104473|2.991044|0.055893|2.670270|2.982933|0.078184|2.728560|5.272415|4.482727|6.758030|6.885793|0.205610|6.363150|12.324446|17.513352|8.745053|7.122293|5.751050|6.110781|0.107615|0.108190|4.795596|5.501009|6.816131|12.027539|4.573672|3.657195|3.007909|3.125028|6.995302|2.656571|2.635206|2.250037|2.006473|2.008478|2.269916|4.012226|0.055962|0.058179|0.066289|0.086635|0.069417|0.068489|0.065712|0.078226|0.077161|0.113634|0.135993|0.151571|0.304022|0.500000| |2.402171|2.714654|3.249757|3.243838|3.731574|3.438942|0.062732|3.637195|3.673571|0.090007|3.505232|6.700946|5.192447|7.411669|6.792328|0.216239|4.727132|6.656546|6.918417|8.772988|17.570449|8.994278|7.630689|0.127076|0.144028|4.873927|5.501192|3.811849|6.518271|3.043156|2.561176|2.266201|2.408162|5.132336|2.183578|2.250200|2.003072|1.787360|1.748466|1.907315|3.662261|0.061114|0.061810|0.070503|0.127326|0.092288|0.093288|0.081379|0.098862|0.105560|0.147022|0.110212|0.115392|0.156761|0.218659|0.500000| |2.603845|2.956979|3.685590|3.556574|3.935271|3.638767|0.065392|4.013196|4.522903|0.108075|4.667232|8.222264|6.515548|9.535552|6.895826|0.182747|4.535309|5.839131|5.457418|8.806291|17.517904|8.899047|9.411777|0.144505|0.206854|5.669107|6.775090|3.323836|5.518000|2.772316|2.334336|2.123626|2.304327|4.878260|2.147826|2.282612|2.061519|1.815291|1.740842|1.869813|3.750371|0.067235|0.065203|0.076824|0.140792|0.096386|0.107886|0.103000|0.138102|0.143845|0.160101|0.113992|0.107575|0.130697|0.144584|0.304051|0.500000| |1.896559|2.057715|2.361541|2.325171|2.776710|2.619076|0.048902|2.545678|2.670599|0.068856|2.683000|4.412704|3.621010|5.882415|4.439690|0.120423|3.749865|5.953061|6.516718|6.676773|8.741657|17.623393|12.433166|0.223841|0.181056|6.968845|5.724327|3.694259|6.855524|2.888406|2.490810|2.163610|2.236726|4.696876|2.002455|2.042060|1.816914|1.632119|1.607084|1.757884|3.351242|0.049478|0.049268|0.055751|0.082486|0.066041|0.068527|0.064908|0.078993|0.078798|0.090351|0.094024|0.089557|0.199572|0.180606|0.213355|0.173070|0.500000| |1.955557|2.167412|2.543945|2.561632|3.006670|2.776532|0.051414|2.927537|2.874769|0.072120|3.020714|4.641479|3.610497|5.849432|4.034317|0.111376|3.233652|4.678921|4.563232|5.443927|8.758688|17.625675|12.358985|0.223203|0.223559|5.574680|4.876972|2.904097|5.194813|2.399397|2.095732|1.876761|1.963235|4.048882|1.806148|1.869171|1.697255|1.528026|1.489359|1.602722|3.176934|0.051385|0.050320|0.056695|0.096300|0.075390|0.080615|0.072554|0.088335|0.092547|0.094511|0.082705|0.079113|0.126229|0.127879|0.212359|0.215705|0.301153|0.500000| |1.879517|1.968142|2.216245|2.090519|2.516304|2.448321|0.045972|2.185804|2.587330|0.069735|2.603805|4.176481|3.699293|6.576550|4.406436|0.106716|4.155254|6.793845|6.547809|6.636523|5.712852|6.956390|12.436821|0.224455|0.181239|17.643024|8.697753|4.245594|7.644803|3.332490|2.818810|2.449625|2.562604|5.460138|2.280985|2.359345|2.069123|1.826180|1.783560|1.961106|3.716919|0.049519|0.048634|0.056403|0.068530|0.055954|0.059535|0.063696|0.080011|0.072831|0.081294|0.113104|0.094276|0.238136|0.143873|0.128104|0.131721|0.210088|0.143335|0.500000| |1.930583|2.008288|2.272506|2.112625|2.525602|2.470522|0.046252|2.197580|2.719705|0.074122|2.851595|4.231748|3.763938|7.184258|4.016455|0.094951|3.703891|5.387725|4.602578|5.444696|4.888434|5.580509|12.362030|0.222919|0.224366|17.627420|8.786180|3.364059|5.775750|2.847501|2.438937|2.209704|2.362067|4.932310|2.181018|2.325114|2.083045|1.822325|1.745700|1.882640|3.751752|0.051608|0.049350|0.058041|0.067993|0.055526|0.061123|0.070035|0.091118|0.078714|0.079414|0.107165|0.085039|0.141461|0.105484|0.107598|0.127764|0.143406|0.126464|0.301528|0.500000| |2.562062|2.697592|3.174014|2.820845|3.251979|3.198223|0.058528|2.877650|4.136330|0.112108|4.263279|6.894452|7.091683|14.511047|6.811222|0.141897|5.417482|6.725400|5.497606|8.759434|6.742144|5.643755|9.369724|0.144112|0.205767|8.903952|17.608888|3.753210|5.950579|3.201270|2.626386|2.420898|2.705739|5.852053|2.542242|2.808254|2.497695|2.123981|1.996110|2.146869|4.340779|0.067450|0.063773|0.078861|0.090975|0.070048|0.079089|0.098084|0.144217|0.113434|0.120022|0.160032|0.117295|0.140991|0.122764|0.138183|0.196305|0.131633|0.126986|0.172854|0.217080|0.500000| |2.350688|2.408424|2.716772|2.430344|2.891306|2.886581|0.053703|2.432091|3.348226|0.093829|3.232670|5.575714|5.671248|11.058322|6.679482|0.137662|6.822096|9.526033|7.066967|8.746857|5.507299|4.874124|7.627161|0.127046|0.144021|9.005843|17.605105|5.152852|7.858078|4.221666|3.314369|2.971290|3.334093|7.556275|3.004216|3.268736|2.778206|2.340395|2.229551|2.463200|4.672180|0.061388|0.059895|0.073068|0.075856|0.060780|0.065561|0.077587|0.102581|0.085649|0.102783|0.214535|0.137121|0.191006|0.140879|0.122966|0.138725|0.128520|0.107506|0.212750|0.212649|0.306236|0.500000| |1.760738|1.746635|1.805159|1.693825|2.178751|2.217063|0.043250|1.652167|1.933871|0.054626|1.758976|3.018473|2.491265|4.270413|2.969814|0.080681|3.736113|6.142043|3.650487|2.921726|2.454681|2.296564|3.004669|0.057778|0.056682|2.519758|2.732150|6.594117|12.101753|8.855950|17.817952|8.468838|5.837616|10.452584|4.054365|3.344414|2.718170|2.564457|2.829650|3.556626|4.900886|0.045301|0.048313|0.053287|0.049518|0.043932|0.043175|0.045036|0.050382|0.047523|0.062565|0.098760|0.106983|0.101970|0.098434|0.068465|0.061495|0.068429|0.057042|0.076116|0.064782|0.067475|0.083917|0.500000| |1.822082|1.746775|1.754711|1.619844|2.114475|2.204041|0.043513|1.540611|1.862929|0.053992|1.678593|2.810144|2.287778|4.027243|2.551899|0.068578|3.198511|4.556089|2.713303|2.384928|2.028063|1.872647|2.503545|0.048087|0.048575|2.082871|2.302891|4.083249|6.599175|5.857063|8.509295|17.815513|8.784759|10.455047|6.356491|4.411691|3.564114|3.562914|4.345183|6.225507|6.504966|0.047098|0.050698|0.055597|0.045283|0.040894|0.040393|0.043697|0.047897|0.044564|0.057520|0.090039|0.095534|0.073467|0.072127|0.056012|0.052715|0.053923|0.047283|0.060428|0.055099|0.059376|0.071186|0.193880|0.500000| |2.823717|2.578916|2.604488|2.231689|2.822294|3.034178|0.058373|2.044529|2.966396|0.092502|2.579756|4.435548|3.891005|7.514780|3.916445|0.095559|5.245630|5.818445|3.307079|3.310342|2.645235|2.309921|3.201936|0.059200|0.064346|2.756670|3.388080|4.108013|5.855090|4.984377|4.165275|4.740381|7.055320|13.462009|8.903714|17.750836|8.964373|5.690872|4.950825|5.646846|9.633992|0.072698|0.075116|0.093209|0.060063|0.052174|0.053918|0.066456|0.075769|0.064895|0.084793|0.186384|0.151801|0.084419|0.081747|0.069654|0.071692|0.063000|0.057401|0.074507|0.073982|0.092485|0.110320|0.094054|0.111343|0.500000| |2.946320|2.530333|2.440248|2.078999|2.694209|2.977486|0.058440|1.866172|2.689643|0.086303|2.376230|3.703943|3.010545|5.885469|2.817454|0.071549|3.286312|3.795556|2.361625|2.438158|2.083357|1.854813|2.586059|0.048586|0.053074|2.139792|2.514750|2.686199|4.106790|3.070005|2.810962|3.228345|4.110134|6.966176|5.612674|8.863235|17.745204|8.963723|5.643381|4.952773|16.734525|0.078678|0.079646|0.096930|0.053257|0.047866|0.049811|0.063825|0.068753|0.059012|0.070626|0.106120|0.095620|0.061304|0.060402|0.055324|0.058123|0.050061|0.047368|0.057170|0.058804|0.071521|0.077549|0.067525|0.083420|0.214201|0.500000| |2.070083|1.859568|1.774959|1.602937|2.145710|2.329601|0.047059|1.468882|1.842377|0.055408|1.647675|2.601447|2.034810|3.693324|2.057136|0.055177|2.399371|3.031903|1.906421|1.845134|1.624254|1.482014|2.012080|0.038585|0.040449|1.629223|1.824108|2.331510|3.720940|2.804610|2.907303|3.683075|4.116864|5.884074|5.611624|4.950870|5.643175|8.956387|17.748193|8.869297|16.715210|0.054552|0.059247|0.063361|0.041833|0.038892|0.038817|0.044300|0.046431|0.042721|0.052325|0.070584|0.072469|0.050420|0.050716|0.044541|0.044206|0.041131|0.038293|0.045163|0.044190|0.049857|0.055077|0.071528|0.108485|0.107534|0.124614|0.500000| 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