Version2.0 2020-07-19T17:10:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4C(F)(F)F C39665960 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4C(F)(F)F C01[X(C27H33F3N3O3)] 201 C1 606 C[C@H](Oc1ccc(cc1)C)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1C(F)(F)F C[C@H](Oc1ccc(cc1)C)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1C(F)(F)F C[C@@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccccc3C(F)(F)F)Oc4ccc(C)cc4 InChIKey=HQXWOYORPQQLMQ-CVDCTZTESA-O InChI=1S/C27H32F3N3O3/c1-18-7-9-20(10-8-18)36-19(2)15-32-24(34)23-16-33(17-26(23)11-13-31-14-12-26)25(35)21-5-3-4-6-22(21)27(28,29)30/h3-10,19,23,31H,11-17H2,1-2H3,(H,32,34)/p+1/t19-,23-/m0/s1 InChI=1/C27H32F3N3O3/c1-18-7-9-20(10-8-18)36-19(2)15-32-24(34)23-16-33(17-26(23)11-13-31-14-12-26)25(35)21-5-3-4-6-22(21)27(28,29)30/h3-10,19,23,31H,11-17H2,1-2H3,(H,32,34)/p+1/t19-,23-/m0/s1/fC27H33F3N3O3/h31-32H/q+1 Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4C(F)(F)F C01[X(C27H33F3N3O3)] 201 C01 606 C[C@H](Oc1ccc(cc1)C)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1C(F)(F)F C[C@H](O[C]1[CH][CH][C]([CH][CH]1)C)CNC(=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][CH][CH][C]1C(F)(F)F C[C]1[CH][CH][C]([CH][CH]1)O[C@@H](C)CNC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)[C]4[CH][CH][CH][CH][C]4C(F)(F)F InChIKey=ZFYPBTVUGLXZLH-CVDCTZTESA-N InChI=1S/C27H33F3N3O3/c1-18-7-9-20(10-8-18)36-19(2)15-32-24(34)23-16-33(17-26(23)11-13-31-14-12-26)25(35)21-5-3-4-6-22(21)27(28,29)30/h3-10,19,23H,11-17,31H2,1-2H3,(H,32,34)/t19-,23-/m0/s1 InChI=1/C27H33F3N3O3/c1-18-7-9-20(10-8-18)36-19(2)15-32-24(34)23-16-33(17-26(23)11-13-31-14-12-26)25(35)21-5-3-4-6-22(21)27(28,29)30/h3-10,19,23H,11-17,31H2,1-2H3,(H,32,34)/t19-,23-/m0/s1/f/h32H 4232.2779123557 -1727.7777621 1-A 19567.6499 133 473 606 |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|A|A| -26.41563 -26.40929 -26.40092 -20.69641 -20.63257 -20.61580 -15.84091 -15.69457 -15.68406 -11.57783 -11.45678 -11.44278 -11.43982 -11.43293 -11.41745 -11.39087 -11.38371 -11.37659 -11.37140 -11.36634 -11.36567 -11.36320 -11.36311 -11.35231 -11.35194 -11.34978 -11.34720 -11.34416 -11.34314 -11.34138 -11.32753 -11.32666 -11.32407 -11.32385 -11.31964 -11.30999 -1.80813 -1.70677 -1.70083 -1.52572 -1.50222 -1.48807 -1.48051 -1.36637 -1.34462 -1.27337 -1.26121 -1.24832 -1.20073 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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 6 6 6 8 6 1 6 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 6 6 6 9 9 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 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 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 12.00000 12.00000 12.00000 18.99840 18.99840 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 1.00783 9030.5937 29861.9964 32487.2717 0.99985 -0.01559 -0.00808 0.01533 0.99941 -0.03087 0.00856 0.03074 0.99949 1 0.00959 0.00290 0.00267 0.19985 0.06044 0.05555 20.79 26.67 51.13 53.50 60.06 64.13 75.12 88.48 97.25 102.57 103.71 139.25 157.02 161.30 191.06 200.40 215.21 223.94 234.41 279.64 300.64 311.73 339.28 344.52 358.74 392.68 397.39 411.19 423.87 461.76 473.30 493.86 507.20 518.11 554.31 560.03 603.98 611.02 621.82 629.69 656.40 672.24 676.50 707.81 712.36 733.69 759.11 783.21 807.77 834.92 847.17 889.32 907.49 939.15 955.72 979.08 1005.86 1016.08 1037.99 1084.59 1120.49 1137.82 1192.59 1198.01 1213.09 1230.88 1249.76 1250.49 1258.80 1270.19 1273.82 1280.49 1350.36 1352.43 1361.90 1371.05 1379.51 1401.45 1450.67 1456.91 1478.69 1488.93 1523.06 1537.73 1541.79 1567.86 1570.87 1583.43 1587.07 1594.23 1598.13 1605.11 1624.55 1632.52 1636.21 1641.19 1657.96 1679.65 1685.61 1712.45 1723.88 1732.16 1748.93 1761.39 1775.40 1791.21 1798.20 1832.47 1844.65 1859.40 1877.38 1882.27 1897.26 1901.76 1915.14 1915.99 1928.04 1935.82 1950.18 1975.95 1988.45 2017.83 2033.59 2050.43 2057.81 2083.21 2090.90 2099.05 2102.90 2119.44 2125.61 2128.19 2136.88 2175.57 2206.12 2216.63 2231.65 2237.22 2238.86 2248.05 2260.40 2261.85 2262.51 2262.95 2269.37 2289.71 2327.44 2335.98 2337.61 2348.15 2353.20 2360.16 2361.16 2365.36 2372.06 2387.64 2411.90 2414.54 2426.44 2428.93 2461.86 2538.31 2564.83 2606.10 2608.56 2616.02 2787.02 2793.50 4603.65 4617.59 4627.28 4632.44 4657.04 4696.67 4700.00 4700.04 4707.29 4711.55 4724.40 4724.56 4726.66 4727.75 4737.38 4751.22 4780.20 4783.75 4790.27 4790.93 4803.14 4813.69 4834.75 4841.09 4849.17 4870.28 4877.09 4890.67 4907.87 4916.87 5237.27 5364.08 5617.31 0.622403 0.653924 0.654868 0.556760 -1727.155360 -1727.123838 -1727.122894 -1727.221002 3.290558D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4C(F)(F)F C39665960 RHF 6-31G(d) (6D,10F) C1 504.247402 |X|Y|Z| 58.070612 43.688132 119.527162 67.183429 28 6 7 8 24 3 1 |36.858105| |12.597670|36.858105| |7.523063|13.751412|36.858105| |4.979069|7.823612|13.651560|36.858105| |4.392867|6.742423|7.907762|13.718052|36.858105| |4.998296|7.853729|6.921426|7.951031|13.632910|36.858105| |7.515048|13.628142|8.025924|6.887184|7.894469|13.800923|36.858105| |3.354559|4.570513|5.177768|7.827035|14.145819|8.201335|5.289916|73.516695| |2.875274|3.708105|4.408699|6.501027|7.843071|5.204469|3.940843|23.779405|36.858105| |2.954005|3.796570|4.764017|7.221439|7.261719|4.780917|3.828035|16.470984|17.640910|0.500000| |2.712467|3.394345|3.989559|5.445753|6.014548|4.424526|3.539264|13.970812|12.524999|0.245733|36.858105| |2.406508|2.972167|3.348985|4.418251|5.259861|4.101603|3.210923|14.361124|12.483548|0.249415|7.549556|36.858105| |2.388532|2.929499|3.236893|4.129490|4.893872|4.016145|3.186842|12.122277|7.675931|0.194790|4.984942|13.133928|53.358707| |2.361512|2.855756|3.213225|4.009129|4.367144|3.593747|2.992896|9.531677|6.069955|0.183810|4.189976|7.766772|19.256473|36.858105| |2.325211|2.786836|3.235466|4.041974|4.102141|3.296447|2.819687|8.570993|5.956054|0.202569|4.292710|6.844923|11.593364|15.833910|73.516695| |2.292500|2.712520|2.945697|3.466040|3.752660|3.318554|2.857496|7.565003|4.297796|0.126956|3.220343|5.008473|10.657415|12.498624|14.191415|36.858105| |2.166697|2.544413|2.691762|3.127459|3.497303|3.207405|2.744951|7.162671|3.950432|0.110611|3.035809|4.785353|10.242333|8.884012|10.532779|17.531990|0.500000| |2.028819|2.326633|2.528269|2.872400|2.968262|2.663616|2.385738|5.764502|3.378362|0.101768|2.697813|3.830237|6.992968|7.463532|11.783673|12.408756|0.246405|36.858105| |2.052243|2.312869|2.464637|2.702972|2.764433|2.562498|2.359247|5.148339|2.893214|0.086652|2.362034|3.121461|5.428130|5.167527|8.350882|8.095413|0.188282|13.013649|53.358707| |2.317208|2.635216|2.752853|2.991450|3.116033|2.960235|2.730270|5.680376|3.037355|0.089858|2.445971|3.192543|5.603705|5.049651|7.746412|8.048838|0.197771|7.887006|17.889166|36.858105| |2.652690|3.156913|3.382335|3.859690|4.112184|3.746978|3.309028|7.623466|4.002963|0.120180|3.036858|4.157532|7.755564|7.355903|10.395760|12.213762|0.246804|7.798161|11.009708|12.383770|36.858105| |2.964587|3.618803|3.684746|4.180206|4.838725|4.740521|4.050816|8.799334|4.143991|0.117067|3.145597|4.185991|7.544793|5.820634|8.151757|7.418019|0.200234|4.998797|6.972185|7.429060|12.390487|36.858105| |3.493521|4.189172|4.024226|4.192392|4.626202|4.934042|4.657426|7.528864|3.494022|0.099801|2.799680|3.319419|5.397534|4.131589|6.373702|4.835987|0.128534|3.825920|5.689763|5.944172|7.448441|12.496419|36.858105| |4.269507|5.260107|5.272071|5.223463|5.179597|5.217251|5.259480|7.750101|3.666354|0.109702|2.954000|3.279685|5.089653|4.016709|6.602379|4.367523|0.108876|3.610832|5.269200|5.049499|6.471181|7.715812|12.707759|53.358707| |4.824737|5.545812|5.175265|4.679082|4.510998|4.786583|5.307877|6.638032|3.173579|0.093923|2.662071|2.832933|4.269184|3.314928|5.558441|3.564335|0.090951|3.076053|4.541754|4.215279|4.906364|5.688127|9.192092|25.712299|0.500000| |4.863393|6.706257|6.999272|7.155160|7.035013|6.839880|6.694436|9.595744|4.330928|0.129939|3.428307|3.669970|5.520396|4.221084|6.990891|4.272212|0.106332|3.445716|4.775318|4.338544|5.835254|7.092571|9.205057|25.593665|0.329015|0.500000| |3.508305|4.111415|4.498373|4.605303|4.279809|3.961614|3.895996|6.820825|3.511604|0.110226|2.828538|3.211785|5.055403|4.328387|7.459508|4.835764|0.112942|4.261605|6.422670|5.980444|7.435929|6.496321|7.636225|17.251396|0.254739|0.255287|36.858105| |2.973854|3.567860|4.041467|4.592092|4.442111|3.853104|3.515788|7.711795|4.171720|0.135112|3.185981|3.972467|6.675744|6.414239|10.936900|7.411756|0.152498|6.122983|8.491262|7.501223|12.323545|7.570064|6.496527|10.494829|0.157912|0.196829|12.512032|36.858105| |1.900913|2.093867|2.225527|2.382583|2.381887|2.227076|2.099347|4.350636|2.462073|0.074002|2.073400|2.601062|4.283676|3.906148|6.734904|5.197919|0.127365|7.577266|19.055564|7.847781|5.388582|3.887107|3.466314|4.547762|0.083183|0.083839|4.133799|4.923204|36.858105| |1.915547|2.076782|2.178694|2.279054|2.262195|2.152863|2.069277|4.044777|2.249613|0.067316|1.917999|2.325563|3.748382|3.293967|5.682940|4.214691|0.106307|5.305059|11.572080|6.996746|4.746740|3.653079|3.468100|4.577321|0.085879|0.082481|4.161854|4.504338|15.894333|73.516695| |1.701199|1.863029|1.995686|2.145171|2.130926|1.974625|1.858348|3.936674|2.287886|0.068763|1.964660|2.445632|3.923992|3.548242|6.381257|4.334699|0.108033|6.505821|10.606540|5.022797|4.073473|3.108139|2.772226|3.707018|0.068763|0.070513|3.279299|3.890499|12.625451|14.333681|36.858105| |1.553684|1.698683|1.803205|1.944547|1.962073|1.832286|1.714432|3.674265|2.138918|0.063069|1.856073|2.336761|3.738996|3.276246|5.761921|3.950886|0.104294|5.697109|8.359851|4.264861|3.534461|2.823875|2.490931|3.252916|0.060674|0.062565|2.754793|3.231430|7.669437|10.177468|13.753107|36.858105| |1.417264|1.539264|1.636517|1.759728|1.766344|1.647755|1.546999|3.310461|1.949008|0.057292|1.724515|2.126309|3.304845|2.829506|5.091947|3.211103|0.085442|4.299676|5.866742|3.272765|2.867719|2.372755|2.122230|2.807612|0.052934|0.054705|2.346030|2.702208|5.051694|7.446601|7.910015|13.739488|36.858105| |1.396765|1.509412|1.616967|1.730594|1.711397|1.586792|1.499623|3.181990|1.890092|0.056129|1.689243|2.029312|3.088721|2.648164|4.918971|2.900292|0.075464|3.779111|5.106015|2.930683|2.641845|2.193116|1.992474|2.697149|0.051163|0.052825|2.277668|2.596865|4.443860|6.795665|6.850149|7.952944|13.792884|36.858105| |1.501131|1.621454|1.751964|1.868313|1.820658|1.676856|1.593257|3.349394|1.991937|0.060081|1.771121|2.100998|3.192766|2.788344|5.295126|3.044156|0.076870|3.993596|5.511526|3.144649|2.846158|2.318547|2.127572|2.939493|0.055733|0.057359|2.548720|2.905234|5.006141|7.694964|7.920379|6.897089|7.954138|13.742392|36.858105| |1.665164|1.809622|1.959390|2.091617|2.034733|1.870524|1.776457|3.722262|2.192426|0.066731|1.911811|2.299034|3.571453|3.204391|6.044053|3.641522|0.089524|5.015570|7.392047|3.984341|3.486817|2.729552|2.496808|3.459450|0.064947|0.066551|3.096558|3.589369|7.484984|10.829768|13.653398|7.939325|6.863874|7.922108|13.761801|36.858105| |1.808400|1.955280|2.139584|2.255482|2.141288|1.958421|1.883692|3.835954|2.251752|0.069733|1.965751|2.288390|3.501513|3.142028|6.064710|3.480236|0.083680|4.448725|6.667885|3.911428|3.538924|2.773972|2.613994|3.768335|0.071244|0.072186|3.510386|3.947068|6.374643|10.440139|7.525672|5.021368|4.447943|5.046803|7.648596|12.633968|36.858105| |1.733713|1.864164|2.058366|2.165256|2.029544|1.843760|1.779043|3.631409|2.164094|0.067321|1.924941|2.179217|3.243078|2.861396|5.675346|3.010284|0.073043|3.676086|5.144395|3.159346|3.005765|2.436159|2.309245|3.375443|0.064430|0.065984|3.072705|3.406425|4.473747|7.424101|5.268416|4.033697|3.878943|4.674466|7.057602|8.129988|14.432960|97.533100| |1.787134|1.900988|2.049613|2.114329|2.005996|1.867634|1.824673|3.539895|2.038004|0.062429|1.794555|2.048491|3.116290|2.719955|5.108761|3.046412|0.075028|3.707514|5.886816|3.685651|3.234145|2.617520|2.552150|3.681920|0.071125|0.069408|3.405082|3.578945|5.773070|11.065464|6.058328|4.335202|3.851694|4.241860|5.819118|8.085169|14.483592|20.191957|97.533100| |2.058293|2.261598|2.512888|2.676622|2.514745|2.265841|2.167223|4.480184|2.627857|0.083085|2.241385|2.636462|4.091419|3.798420|7.450813|4.230200|0.097155|5.338299|7.967564|4.742043|4.458711|3.326887|3.109643|4.602605|0.085084|0.087791|4.559600|5.379540|6.914379|10.918977|6.691874|4.551077|3.854156|4.074769|5.414490|8.110338|14.244622|20.136165|20.123809|97.533100| |17.555128|8.810852|5.678838|4.188342|3.921515|4.643140|6.923435|5.497545|2.634191|0.074582|2.455179|2.264537|3.115332|2.265747|3.915669|2.248663|0.059609|1.994613|2.786647|2.341352|2.633802|2.992208|3.653489|5.910117|0.142558|0.131110|3.470447|2.888565|1.900899|3.438912|1.687743|1.544821|1.404238|1.377211|1.475561|1.640421|1.773924|3.794513|3.980935|4.518496|0.500000| |17.552787|8.855467|6.124377|4.386530|3.967008|4.506114|6.409186|5.535077|2.702131|0.075977|2.632766|2.267939|3.012119|2.162022|3.795110|2.079087|0.055037|1.850018|2.525895|2.067653|2.348175|2.609458|2.978942|4.734704|0.105740|0.108896|2.946437|2.587418|1.725035|3.078341|1.561848|1.438468|1.322091|1.304754|1.394852|1.532713|1.653110|3.592511|3.668245|4.187461|0.302822|0.500000| |17.577631|8.825300|7.127572|4.690671|3.927856|4.164802|5.577219|5.473193|2.730669|0.079710|2.578358|2.295764|3.110433|2.303458|4.098173|2.240093|0.058179|2.016029|2.789041|2.290067|2.594357|2.805609|3.283962|5.626049|0.130829|0.127529|3.582650|2.987031|1.921129|3.458793|1.725101|1.563696|1.429740|1.419449|1.537045|1.706330|1.877305|4.074817|4.194571|4.812913|0.301424|0.302546|0.500000| |6.964346|8.931963|17.701549|8.956804|5.650418|4.976279|5.674896|7.439475|3.835807|0.118375|3.579415|2.994017|3.937564|2.942439|5.413314|2.710797|0.068328|2.398695|3.199303|2.576691|3.082481|3.217126|3.500500|6.251194|0.128496|0.156206|4.244265|3.771486|2.163388|3.785590|1.959344|1.760144|1.608111|1.605429|1.752906|1.953644|2.164649|4.747031|4.684010|5.703984|0.144687|0.161837|0.215915|0.500000| |4.087315|5.622082|8.945323|17.764282|8.852097|5.633249|4.964075|12.360313|7.109474|0.253801|6.026794|4.672749|5.765079|4.241536|8.069533|3.518745|0.086395|2.975240|3.729717|2.938575|3.773131|3.828706|3.694620|6.169467|0.112212|0.159952|4.395013|4.633762|2.429553|4.084138|2.222931|2.005910|1.826571|1.812675|1.969305|2.196787|2.383686|5.219895|4.952532|6.403562|0.097087|0.102651|0.112268|0.218768|0.500000| |4.075571|5.601685|4.978141|5.664441|8.942245|17.726448|8.897815|13.505812|4.858198|0.118637|4.174279|4.116591|5.541510|3.505838|5.563350|3.279055|0.091068|2.610278|3.407620|2.896112|3.609467|4.718337|4.719475|6.158113|0.115358|0.151960|3.509793|3.502004|2.163060|3.706066|1.921757|1.806829|1.625288|1.552131|1.623372|1.802255|1.858963|3.923222|3.989999|4.786029|0.109831|0.105452|0.095865|0.107941|0.124037|0.500000| |6.969095|8.886333|5.678397|4.958033|5.636824|8.982717|17.695793|7.622203|3.309441|0.088486|3.033385|2.819651|3.848517|2.652027|4.413348|2.588937|0.070342|2.190034|2.983680|2.542837|2.983132|3.678264|4.320147|6.230351|0.133334|0.148380|3.428783|3.076344|1.966353|3.475494|1.741663|1.618841|1.463834|1.414546|1.494303|1.659033|1.748231|3.708405|3.844250|4.468681|0.203935|0.174996|0.141030|0.124317|0.107690|0.215856|0.500000| |2.560679|3.158585|3.530253|4.559523|5.362862|4.297334|3.409857|12.620335|8.840455|0.173437|17.568729|6.890573|6.320752|3.759110|6.572521|2.985367|0.080530|2.500282|3.002801|2.296565|2.805408|2.978829|2.655021|3.707399|0.068817|0.086718|2.561233|2.846234|1.938153|3.199375|1.836925|1.756317|1.635952|1.591747|1.652015|1.773846|1.805072|3.960648|3.734693|4.576443|0.065193|0.069919|0.066717|0.087396|0.130674|0.118673|0.083184|0.500000| |2.415953|2.928436|3.440259|4.466589|4.614956|3.566788|2.982007|10.079681|8.846536|0.212761|17.565597|6.849899|6.259686|4.027708|7.683828|3.070767|0.079930|2.652719|3.124027|2.321491|2.827801|2.830200|2.515103|3.613695|0.066816|0.083653|2.619830|2.982416|2.034874|3.326357|1.962505|1.861000|1.747768|1.724598|1.806000|1.928904|1.976520|4.407636|4.025733|5.030899|0.061062|0.065287|0.064895|0.089063|0.143121|0.094106|0.072308|0.300288|0.500000| |3.016906|3.812633|4.615400|6.311278|6.403199|4.672625|3.853802|12.509777|8.806628|0.210701|17.582431|5.490306|5.596146|3.639661|6.705931|2.917725|0.075934|2.483087|3.028042|2.323817|2.857553|2.980606|2.753690|4.065396|0.075951|0.097625|2.833629|3.082792|1.977628|3.291870|1.866500|1.750170|1.628074|1.605299|1.694752|1.831428|1.908972|4.227296|3.956786|4.900024|0.074156|0.082219|0.079636|0.115275|0.195737|0.117155|0.090251|0.301554|0.301844|0.500000| |2.191238|2.643812|3.003148|3.846773|4.252762|3.394321|2.778273|10.271148|8.915795|0.217224|6.905676|17.619508|12.485088|7.053030|12.707097|4.567324|0.119240|3.752719|4.083235|2.954437|3.702014|3.546278|2.886828|3.941877|0.070471|0.088423|2.930332|3.626930|2.545425|4.013259|2.459852|2.364600|2.185395|2.104455|2.172911|2.344224|2.318530|5.039735|4.613392|5.949572|0.057173|0.057712|0.058862|0.076769|0.117488|0.093374|0.068464|0.170194|0.205437|0.141007|0.500000| |2.294124|2.803938|3.057544|3.897512|4.796191|3.988355|3.105447|12.892642|8.868875|0.175212|6.954525|17.607664|12.624882|5.770382|8.906995|4.251865|0.119754|3.328528|3.797173|2.882078|3.619035|3.814494|3.082304|4.041580|0.072495|0.091564|2.833970|3.366847|2.350582|3.777189|2.214798|2.150240|1.970172|1.869605|1.912762|2.072784|2.047325|4.388667|4.175753|5.214947|0.060405|0.060788|0.060133|0.075620|0.110179|0.116607|0.077263|0.208621|0.170980|0.141686|0.301810|0.500000| |2.357616|2.875259|3.070074|3.800032|4.665829|4.087546|3.219482|11.272301|6.154527|0.151289|4.336949|9.049530|26.114469|9.397207|10.883035|7.480220|0.235350|4.830774|5.342897|4.209613|5.692695|6.111574|4.203629|5.084942|0.087413|0.110805|3.574327|4.531945|3.075989|4.838984|2.773867|2.681496|2.354930|2.170875|2.220032|2.482464|2.413010|4.981939|4.910361|6.261816|0.063623|0.060737|0.061987|0.075535|0.103974|0.120383|0.080809|0.118077|0.109142|0.102034|0.184135|0.233699|0.500000| |2.028267|2.321914|2.575868|2.937490|2.945374|2.587839|2.334234|5.675448|3.444208|0.107325|2.773781|3.817881|6.592114|7.253931|13.762385|8.789923|0.175686|17.642930|12.271038|6.082955|6.432590|4.316177|3.472487|4.715114|0.082661|0.093330|4.228416|6.146494|6.878668|8.790963|6.675727|5.472135|4.359999|4.061818|4.496960|5.719804|5.200569|9.804613|9.130174|14.676078|0.054816|0.051442|0.056571|0.068916|0.086810|0.069319|0.059023|0.070161|0.077066|0.071200|0.107456|0.090184|0.120098|0.500000| |1.838085|2.088709|2.246341|2.538781|2.651911|2.409040|2.157756|5.217070|3.081716|0.090416|2.523382|3.606640|6.447334|6.250134|9.875895|8.770270|0.225719|17.615955|12.234953|6.014376|5.700441|4.192108|3.276935|4.145370|0.073689|0.081533|3.446535|4.568312|6.409164|8.231702|6.291922|6.415628|4.851867|4.033990|4.007304|4.743597|3.951584|7.541818|7.495121|9.872488|0.050313|0.047042|0.050556|0.059288|0.072900|0.066575|0.055611|0.065967|0.069629|0.064027|0.100145|0.089398|0.126822|0.301940|0.500000| |2.383918|2.658653|2.753078|2.898577|2.945066|2.840274|2.704221|5.189874|2.756360|0.082107|2.266170|2.805743|4.696980|4.109654|6.642390|5.700194|0.141675|5.815054|12.499231|17.666259|8.584823|6.220130|5.968715|7.264594|0.128153|0.121289|6.672621|7.040559|7.617340|14.646479|4.770883|3.926498|3.070765|2.812834|3.078120|3.936385|4.055003|7.273627|9.052253|11.059212|0.067537|0.058606|0.066143|0.072477|0.078644|0.076161|0.070421|0.059010|0.059756|0.060808|0.072600|0.070829|0.097021|0.139252|0.129695|0.500000| |2.193814|2.477518|2.530576|2.735095|2.921781|2.853068|2.623876|5.382078|2.834063|0.081486|2.311963|3.031988|5.313749|4.484297|6.712273|6.883768|0.201116|6.422191|12.365270|17.515034|8.777499|7.153095|5.697316|6.060293|0.106332|0.107849|4.756108|5.499996|6.268826|10.381397|4.377906|4.009129|3.112378|2.728764|2.835774|3.458508|3.297359|6.141852|7.115083|8.517673|0.062212|0.054828|0.059543|0.065305|0.073677|0.079535|0.069125|0.061355|0.060732|0.060778|0.077406|0.078102|0.116027|0.136349|0.154134|0.302840|0.500000| |2.634259|3.124615|3.109557|3.466005|4.047759|4.117395|3.552298|7.594148|3.637220|0.099654|2.854345|3.849909|6.939939|5.099857|7.092288|6.711814|0.212959|4.725159|6.668567|6.973191|8.779670|17.558422|8.983396|7.640186|0.127166|0.144232|4.881753|5.498220|3.734023|6.249568|3.010319|2.820896|2.366095|2.150278|2.230421|2.595125|2.568754|5.072718|5.491258|6.718106|0.074766|0.065564|0.068934|0.076339|0.088972|0.120093|0.093028|0.076958|0.071958|0.074479|0.091474|0.101425|0.167574|0.109557|0.116128|0.158202|0.221948|0.500000| |3.136640|3.998924|4.133641|4.987771|6.325358|5.963262|4.639979|12.128169|5.246408|0.142940|3.772868|5.180651|9.361231|6.476450|8.846638|6.889076|0.185574|4.524616|5.833888|5.467056|8.805274|17.569767|8.943473|9.468134|0.145439|0.208679|5.668321|6.735721|3.351380|5.538902|2.807188|2.580909|2.216925|2.069615|2.181267|2.521159|2.567990|5.194741|5.392653|6.896299|0.086147|0.077239|0.081187|0.097104|0.124119|0.166336|0.113150|0.099133|0.091529|0.098015|0.115280|0.130149|0.213500|0.112827|0.107934|0.130741|0.145506|0.303452|0.500000| |3.128848|3.548225|3.401878|3.451167|3.674693|3.888139|3.812318|6.093745|2.952292|0.084780|2.430380|2.864853|4.634732|3.625874|5.696784|4.408546|0.118662|3.728629|5.912642|6.442679|6.653030|8.730939|17.618427|12.437488|0.223197|0.180832|7.014844|5.740246|3.701769|6.851353|2.882718|2.579330|2.177206|2.033756|2.172163|2.568596|2.685322|5.258060|6.031385|7.092655|0.092475|0.074804|0.083295|0.085211|0.086923|0.104770|0.101618|0.064317|0.061742|0.066447|0.070919|0.074426|0.099980|0.093142|0.089406|0.197628|0.176981|0.213273|0.173489|0.500000| |3.743125|4.499531|4.050641|4.127601|4.755031|5.612691|5.399510|7.565326|3.380739|0.093611|2.772677|3.177256|4.987195|3.621503|5.618045|4.028925|0.111190|3.228278|4.667838|4.547932|5.447956|8.782767|17.638622|12.398208|0.224239|0.223657|5.597272|4.884740|2.915554|5.193616|2.408187|2.207317|1.912140|1.798913|1.902413|2.190268|2.277636|4.604314|5.023000|5.961580|0.111543|0.089025|0.094253|0.095745|0.098045|0.154837|0.145583|0.074400|0.068333|0.076351|0.076134|0.084250|0.109990|0.082163|0.079302|0.125693|0.127147|0.212370|0.217619|0.300882|0.500000| |3.143728|3.504316|3.677353|3.671673|3.493400|3.356487|3.362077|5.696514|2.960854|0.090828|2.448254|2.791932|4.405936|3.748986|6.420743|4.395234|0.105799|4.115711|6.721781|6.454597|6.613008|5.718609|6.993999|12.418231|0.223229|0.180718|17.634850|8.710164|4.536076|8.653626|3.458317|2.869870|2.416895|2.336432|2.622371|3.230364|3.682166|7.053046|8.378362|10.542828|0.088707|0.074221|0.089607|0.098208|0.097827|0.085082|0.085297|0.062545|0.063695|0.067877|0.071679|0.069699|0.088205|0.111303|0.093623|0.231910|0.141899|0.128471|0.131805|0.211931|0.143891|0.500000| |3.776308|4.347821|4.990482|4.868435|4.181721|3.794716|3.856065|6.476366|3.413100|0.109428|2.824026|3.027225|4.558454|3.852981|6.983533|4.032063|0.095069|3.683411|5.362485|4.574232|5.443780|4.888938|5.599190|12.381800|0.223509|0.223719|17.632781|8.805446|3.618960|6.501624|3.010420|2.531140|2.203160|2.181725|2.467386|2.954209|3.456233|7.036050|7.577078|10.072551|0.101069|0.087227|0.111570|0.138283|0.132286|0.091234|0.093136|0.070168|0.073165|0.080276|0.077981|0.074078|0.087904|0.105725|0.084660|0.139737|0.104855|0.107688|0.127670|0.144063|0.126779|0.301514|0.500000| |3.147015|3.922041|4.704013|5.802080|5.445724|4.346073|3.831141|9.512379|5.298446|0.184345|3.844822|4.757093|7.731199|7.394394|13.395430|6.874112|0.143388|5.386908|6.719350|5.495863|8.762684|6.717125|5.657294|9.449875|0.145262|0.208024|8.959847|17.601317|4.013176|6.479464|3.401728|2.910082|2.503952|2.432522|2.700240|3.225225|3.523625|7.164767|7.091014|10.473954|0.082679|0.076409|0.087416|0.120114|0.169687|0.106844|0.090266|0.092444|0.098935|0.103139|0.119092|0.107513|0.137663|0.157150|0.116800|0.140618|0.122910|0.137708|0.194473|0.131981|0.127259|0.173497|0.218923|0.500000| |2.647107|3.071592|3.492613|3.884301|3.664789|3.196460|2.972417|6.462709|3.674741|0.120084|2.909835|3.579487|5.869916|5.826697|10.901737|6.707277|0.137487|6.742527|9.504286|7.064862|8.740840|5.501073|4.883498|7.640603|0.127133|0.144277|8.995909|17.624057|5.848918|9.213580|4.639125|3.647795|3.025346|2.955226|3.416367|4.391799|5.049554|9.500054|9.868511|17.335979|0.071289|0.064834|0.075151|0.094058|0.113153|0.081588|0.073389|0.072121|0.077796|0.078177|0.094702|0.084480|0.109095|0.208340|0.135720|0.190697|0.140938|0.123009|0.138126|0.128888|0.107675|0.212801|0.212888|0.305956|0.500000| |1.553260|1.702188|1.789767|1.932936|1.979482|1.866216|1.738016|3.728416|2.144879|0.062418|1.853554|2.370051|3.848747|3.314659|5.620668|4.131979|0.114072|5.781726|8.689389|4.541938|3.658853|2.969816|2.586680|3.288247|0.061196|0.063037|2.724965|3.186559|7.166176|9.793788|8.937425|17.718185|8.921763|5.655970|4.964600|5.646567|4.088097|7.542804|8.284868|8.808938|0.043118|0.039965|0.043114|0.048102|0.054829|0.051617|0.045820|0.049130|0.051256|0.048361|0.065872|0.061216|0.078278|0.141239|0.191562|0.112981|0.124883|0.084565|0.074671|0.074828|0.063868|0.079029|0.068498|0.079437|0.096661|0.500000| |1.333589|1.445492|1.527608|1.641946|1.660836|1.558645|1.461329|3.127104|1.837502|0.053404|1.639293|2.019853|3.118169|2.607962|4.635060|2.926977|0.079952|3.751926|5.042614|2.931166|2.597960|2.204768|1.972082|2.584457|0.048920|0.050586|2.117782|2.416237|4.125819|6.290459|5.639105|8.922437|17.729825|8.921217|5.650334|4.948278|3.555899|7.194914|7.154030|7.154701|0.036765|0.034719|0.037221|0.041575|0.047152|0.043001|0.038596|0.043548|0.046186|0.042887|0.057721|0.052608|0.062309|0.103108|0.120515|0.076066|0.079506|0.061873|0.057587|0.056103|0.049898|0.060383|0.055252|0.062833|0.073490|0.215562|0.500000| |1.303710|1.402378|1.499888|1.600756|1.581874|1.469797|1.392195|2.941117|1.752322|0.051773|1.586825|1.878079|2.812519|2.367274|4.410092|2.534242|0.066631|3.171984|4.229132|2.519542|2.313896|1.962353|1.795061|2.435529|0.046495|0.048012|2.030149|2.285695|3.553699|5.612877|4.941602|5.649344|8.918557|17.736058|8.928473|5.645467|4.120011|9.125344|8.066494|7.664602|0.035667|0.034007|0.036810|0.041479|0.046618|0.039999|0.036574|0.041682|0.045229|0.041951|0.054410|0.048402|0.054958|0.094299|0.094221|0.067441|0.065933|0.053589|0.051934|0.050707|0.045470|0.057549|0.054487|0.060293|0.071218|0.124233|0.214512|0.500000| 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