Version2.1 2020-12-18T08:16:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)NC(=O)c2coc(n2)C[NH+]3CCN(CC3)C[C@@H](COCc4ccco4)O C35838556 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)NC(=O)c2coc(n2)C[NH+]3CCN(CC3)C[C@@H](COCc4ccco4)O C01[X(C24H31N4O5)] 186 C1 557 O[C@@H](CN1CC[NH+](CC1)Cc1occ(n1)C(=O)Nc1cccc(c1)C)COCc1ccco1 O[C@@H](CN1CC[NH+](CC1)Cc1occ(n1)C(=O)Nc1cccc(c1)C)COCc1ccco1 Cc1cccc(NC(=O)c2coc(C[NH+]3CCN(CC3)C[C@H](O)COCc4occc4)n2)c1 InChIKey=MUQJHRDDAAFYCK-FQEVSTJZSA-O InChI=1S/C24H30N4O5/c1-18-4-2-5-19(12-18)25-24(30)22-17-33-23(26-22)14-28-9-7-27(8-10-28)13-20(29)15-31-16-21-6-3-11-32-21/h2-6,11-12,17,20,29H,7-10,13-16H2,1H3,(H,25,30)/p+1/t20-/m0/s1 InChI=1/C24H30N4O5/c1-18-4-2-5-19(12-18)25-24(30)22-17-33-23(26-22)14-28-9-7-27(8-10-28)13-20(29)15-31-16-21-6-3-11-32-21/h2-6,11-12,17,20,29H,7-10,13-16H2,1H3,(H,25,30)/p+1/t20-/m0/s1/fC24H31N4O5/h25,28H/q+1 Cc1cccc(c1)NC(=O)c2coc(n2)C[NH+]3CCN(CC3)C[C@@H](COCc4ccco4)O C01[X(C24H31N4O5)] 186 C01 557 O[C@@H](CN1CC[NH+](CC1)Cc1occ(n1)C(=O)Nc1cccc(c1)C)COCc1ccco1 O[C@@H](CN1CC[NH](CC1)Cc1occ(n1)C(=O)N[C]1[CH][CH][CH][C]([CH]1)C)COCC1=[CH][CH]=CO1 C[C]1[CH][CH][CH][C]([CH]1)NC(=O)c2coc(C[NH]3CCN(CC3)C[C@H](O)COCc4occc4)n2 InChIKey=LMSQYFXVQNTUKK-FQEVSTJZSA-N InChI=1S/C24H31N4O5/c1-18-4-2-5-19(12-18)25-24(30)22-17-33-23(26-22)14-28-9-7-27(8-10-28)13-20(29)15-31-16-21-6-3-11-32-21/h2-6,11-12,17,20,28-29H,7-10,13-16H2,1H3,(H,25,30)/t20-/m0/s1 InChI=1/C24H31N4O5/c1-18-4-2-5-19(12-18)25-24(30)22-17-33-23(26-22)14-28-9-7-27(8-10-28)13-20(29)15-31-16-21-6-3-11-32-21/h2-6,11-12,17,20,28-29H,7-10,13-16H2,1H3,(H,25,30)/t20-/m0/s1/f/h25H 3043.9636104597 -1518.7488107 1-A 40252.6394 121 436 557 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0.8398 0.3674 0.8331 0.1603 0.2086 0.4806 0.8295 0.7600 0.8427 0.4136 0.7764 0.3528 0.8210 0.4122 0.3459 0.2646 0.4734 0.3285 0.2798 0.4327 298.150 1.00000 1 2 3 4 5 6 7 8 9 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 6 6 6 6 6 6 6 7 6 8 6 6 8 6 7 6 7 1 6 6 7 6 6 6 6 1 6 8 6 6 6 6 6 8 8 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 14.00307 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 14.00307 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 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 6017.6224 69860.2517 73182.1533 0.99998 0.00510 0.00207 -0.00511 0.99995 0.00839 -0.00202 -0.00840 0.99996 1 0.01439 0.00124 0.00118 0.29991 0.02583 0.02466 9.08 13.83 20.15 28.89 38.23 43.59 47.88 57.89 68.65 76.52 79.03 109.07 111.61 128.23 170.23 203.47 225.23 250.23 267.99 293.78 330.09 335.68 355.76 390.00 402.12 427.41 442.25 470.68 477.49 494.59 503.58 548.91 564.26 617.01 619.37 639.78 700.50 709.24 724.37 747.52 758.41 778.91 808.26 834.03 887.51 907.50 931.48 948.22 951.95 955.62 980.17 1032.16 1104.17 1108.01 1150.17 1178.43 1194.63 1214.77 1245.65 1249.18 1289.10 1295.93 1324.12 1370.63 1382.59 1383.78 1392.75 1398.60 1406.60 1435.08 1436.56 1460.27 1464.57 1483.21 1483.52 1515.51 1525.54 1553.32 1556.19 1560.29 1574.51 1594.65 1598.64 1601.40 1616.81 1620.02 1652.03 1671.69 1682.44 1686.27 1699.32 1737.99 1741.45 1743.22 1756.30 1783.07 1800.44 1813.37 1831.34 1838.35 1846.62 1865.58 1877.88 1879.69 1893.61 1908.52 1943.78 1946.61 1960.33 1974.59 1985.13 2014.05 2018.51 2028.07 2041.12 2077.25 2086.43 2114.74 2122.15 2126.35 2127.72 2135.04 2163.75 2187.93 2214.79 2223.99 2235.06 2245.54 2250.34 2256.79 2278.50 2283.56 2285.09 2295.21 2310.34 2334.55 2337.70 2345.48 2346.09 2358.52 2360.25 2371.80 2373.68 2379.25 2392.79 2404.63 2407.31 2453.99 2509.71 2566.17 2601.03 2620.54 2625.70 2656.56 2816.57 4480.47 4496.64 4567.64 4579.09 4608.82 4616.70 4616.99 4644.84 4677.40 4696.64 4698.80 4709.88 4719.61 4722.41 4724.27 4738.12 4801.26 4808.67 4820.02 4832.41 4833.34 4836.50 4866.84 4946.13 4965.36 4980.32 5012.95 5067.42 5284.03 5564.77 5836.64 0.582609 0.612039 0.612983 0.512576 -1518.166201 -1518.136772 -1518.135828 -1518.236234 3.367634D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE Cc1cccc(c1)NC(=O)c2coc(n2)C[NH+]3CCN(CC3)C[C@@H](COCc4ccco4)O C35838556 RHF 6-31G(d) (6D,10F) C1 455.229445 |X|Y|Z| 52.212672 30.550981 191.293318 67.323542 30 6 7 8 23 4 3 |36.858105| |12.609803|36.858105| |7.554288|13.677029|36.858105| |5.026481|7.926505|13.808159|36.858105| |4.412618|6.787959|7.885875|13.718885|36.858105| |5.001868|7.871624|6.876883|7.994971|13.757370|36.858105| |7.558698|13.773387|7.988566|6.940045|7.914397|13.672935|36.858105| |3.885296|5.182396|4.553564|5.133796|7.717789|13.453255|7.982939|53.358707| |3.073377|3.894265|3.681744|4.323256|6.297067|7.654215|5.176801|19.286155|36.858105| |2.814080|3.564737|3.583797|4.444085|6.491056|6.429457|4.407740|11.366223|15.891942|73.516695| |2.641713|3.148122|2.920348|3.250036|4.239449|5.064069|4.030440|10.885239|12.762526|14.614103|36.858105| |2.234938|2.602070|2.477208|2.761710|3.457515|3.833176|3.162720|7.107942|7.562683|11.901557|14.257950|36.858105| |2.065314|2.335984|2.192419|2.374550|2.866342|3.216731|2.801935|5.733110|5.259438|8.157486|8.772877|14.051103|73.516695| |2.262268|2.538475|2.316631|2.456950|2.961251|3.478001|3.111592|6.373002|5.372835|7.688983|9.075161|8.939722|25.389166|36.858105| |2.654991|3.052387|2.730848|2.903196|3.610915|4.485243|3.920600|9.084021|7.425268|9.382303|13.697317|8.603225|15.479359|15.068884|53.358707| |2.060878|2.240041|2.034288|2.110027|2.456596|2.849184|2.671563|4.875807|3.829486|5.754477|5.335269|5.384240|14.051696|12.784064|10.455444|36.858105| |1.850960|1.997993|1.839777|1.911700|2.196449|2.483233|2.331845|4.114557|3.259548|5.098375|4.307801|4.603761|11.622507|7.730455|7.364544|12.724905|53.358707| |1.768910|1.924894|1.795869|1.887603|2.175926|2.419569|2.234822|4.003717|3.274840|5.240548|4.366729|5.036807|13.438750|7.399242|6.920276|9.356950|25.658406|0.500000| |1.923902|2.075000|1.905307|1.973070|2.261589|2.563880|2.420909|4.213181|3.276955|5.115843|4.165670|4.234225|9.484734|6.287968|6.989713|7.606695|17.219030|0.258441|36.858105| |1.696993|1.814344|1.690785|1.751090|1.973389|2.179143|2.066327|3.459350|2.695751|4.370062|3.254529|3.409222|7.275187|4.329713|5.035663|4.965112|10.440528|0.198024|12.525005|36.858105| |1.568927|1.653777|1.538983|1.579020|1.756921|1.934362|1.862432|3.021914|2.319624|3.778584|2.752735|2.867811|6.110517|3.665125|4.281074|4.474374|9.044820|0.165530|7.845284|13.191774|53.358707| |1.521881|1.607492|1.499085|1.543013|1.721122|1.891678|1.812614|2.971593|2.305491|3.763972|2.780229|2.966657|6.553793|3.860337|4.329430|4.984195|10.457887|0.198648|6.662117|8.023997|17.897201|36.858105| |1.670466|1.770143|1.633257|1.678436|1.889967|2.112432|2.024865|3.383080|2.617073|4.178207|3.257145|3.435102|7.968617|5.014079|5.341483|7.656850|17.205847|0.258747|7.699334|6.657155|10.676332|12.551540|36.858105| |1.426273|1.494135|1.402301|1.436477|1.579713|1.714966|1.657850|2.626116|2.008632|3.329067|2.314047|2.411931|4.950237|2.886705|3.484372|3.335291|6.043453|0.118105|5.075666|7.829968|17.728786|7.803199|5.072714|36.858105| |1.351399|1.398565|1.309203|1.329016|1.446866|1.570458|1.538340|2.374936|1.790085|2.966692|2.030877|2.085980|4.226274|2.498063|3.068703|2.908875|4.939767|0.094545|3.944394|5.095666|10.413235|6.012468|4.350295|12.509468|36.858105| |1.414636|1.455475|1.353069|1.364792|1.483200|1.621373|1.602300|2.447953|1.823340|2.997483|2.061093|2.082130|4.199483|2.537645|3.155711|2.976563|4.947868|0.091799|4.050371|4.964083|9.727529|5.446388|4.317447|8.929154|17.529713|0.500000| |1.246186|1.285157|1.211506|1.228974|1.326890|1.425557|1.398691|2.127706|1.601182|2.683255|1.783787|1.831020|3.627878|2.113188|2.642621|2.378212|3.889374|0.076308|3.108308|3.904041|6.779056|4.173706|3.248170|7.564696|12.507865|0.248110|36.858105| |1.188840|1.216646|1.145497|1.155668|1.240190|1.331969|1.316711|1.974117|1.474494|2.470786|1.630511|1.662436|3.276223|1.919426|2.418879|2.165461|3.435622|0.066956|2.676000|3.168737|5.383524|3.541809|2.902346|5.156294|8.185115|0.203730|13.669791|73.516695| |1.101237|1.124543|1.064514|1.073719|1.145587|1.221410|1.208097|1.795172|1.340455|2.262911|1.466494|1.496004|2.912176|1.690744|2.149388|1.873324|2.918079|0.057596|2.261628|2.633323|4.245182|2.854795|2.405408|3.914440|5.230015|0.133613|8.037528|24.093321|36.858105| |1.052167|1.068580|1.010838|1.015718|1.079156|1.150211|1.143348|1.682748|1.250683|2.111269|1.362209|1.384231|2.686665|1.564830|1.997917|1.735937|2.651475|0.052170|2.019286|2.277798|3.636797|2.526556|2.196131|3.160263|4.099621|0.109843|5.226995|14.362715|12.821762|36.858105| |1.018606|1.028846|0.973308|0.974083|1.029580|1.095906|1.095041|1.592798|1.177092|1.988505|1.271971|1.284310|2.473193|1.444989|1.862083|1.591463|2.392874|0.046965|1.825888|2.021815|3.156903|2.192978|1.956098|2.660996|3.314927|0.092197|3.997272|9.760000|7.352076|14.217285|36.858105| |0.977929|0.985903|0.933042|0.932920|0.984554|1.047164|1.047566|1.519809|1.122654|1.898017|1.212190|1.224812|2.358801|1.376921|1.773520|1.518889|2.259944|0.044420|1.696478|1.849815|2.881337|2.052525|1.857283|2.367817|2.894973|0.080350|3.295817|7.669194|5.152855|8.576463|13.229348|36.858105| |0.987130|0.998957|0.945536|0.948251|1.004386|1.069034|1.065347|1.559106|1.157026|1.955777|1.257175|1.277758|2.477487|1.441559|1.841631|1.601708|2.397458|0.047266|1.777253|1.945294|3.074325|2.231592|1.999441|2.532568|3.130922|0.084881|3.516230|8.272840|5.355823|8.786218|8.608401|14.233627|36.858105| |1.031047|1.048313|0.992039|0.998126|1.061846|1.131666|1.123002|1.659301|1.236744|2.088666|1.352097|1.380378|2.692443|1.563470|1.983912|1.745500|2.658014|0.052480|1.980828|2.213013|3.564172|2.565912|2.235640|3.032873|3.892840|0.102299|4.584874|11.674011|7.892351|14.131606|8.633174|8.622265|14.164237|73.516695| |1.299860|1.344289|1.259519|1.279259|1.392438|1.509742|1.477824|2.285562|1.728346|2.868691|1.970160|2.040583|4.176783|2.454554|2.978557|2.911478|4.883448|0.094257|3.603803|4.356497|8.767685|6.436595|4.606300|7.998371|13.589894|0.258633|7.979167|12.708365|4.848527|4.120586|3.286863|3.000607|3.397615|7.575019|73.516695| |17.552760|8.853304|6.703018|4.600039|3.960075|4.298561|5.904569|4.664208|2.792643|4.615158|2.423563|2.081095|3.430282|2.095763|3.301304|1.922116|2.348113|0.045971|1.771459|1.571857|1.993778|1.431762|1.570573|1.336280|1.271831|0.036884|1.175643|2.002120|1.046244|1.003672|0.973236|0.937981|0.947394|1.753748|2.187852|0.500000| |17.554232|8.851065|6.743543|4.610766|3.957280|4.284365|5.872593|4.646255|2.781408|4.597707|2.414029|2.071408|3.416611|2.089686|3.294182|1.917485|2.381578|0.046526|1.837727|1.640004|2.064007|1.460308|1.586241|1.389560|1.318902|0.038374|1.223904|2.076374|1.085736|1.036752|1.006316|0.964110|0.969866|1.799708|2.244548|0.302366|0.500000| |17.578746|8.825093|5.565068|4.176470|3.949992|4.738670|7.246939|5.334234|3.071800|4.880685|2.712354|2.279514|3.800127|2.384449|3.822926|2.197692|2.666868|0.051482|2.039137|1.783564|2.253295|1.603702|1.772778|1.496874|1.423518|0.041637|1.305980|2.219088|1.151526|1.101443|1.066549|1.023939|1.033369|1.918522|2.433769|0.301799|0.301724|0.500000| |7.003512|8.894028|17.709562|8.937045|5.626786|4.953477|5.664796|4.930294|3.055302|5.361438|2.507747|2.176379|3.468731|2.049606|3.223207|1.828231|2.272546|0.045325|1.727975|1.551554|1.936566|1.385608|1.499009|1.306783|1.226969|0.035211|1.142179|1.927158|1.011862|0.963534|0.930805|0.893469|0.903471|1.680286|2.100230|0.189583|0.191854|0.140340|0.500000| |4.098031|5.643010|8.951564|17.718703|8.959375|5.680182|4.986814|5.653016|3.748745|7.161739|2.899384|2.543098|3.895780|2.228284|3.503318|1.928013|2.405803|0.048840|1.819768|1.636378|2.014371|1.448472|1.562138|1.356744|1.256168|0.035686|1.168387|1.954398|1.025919|0.970988|0.931932|0.893205|0.907612|1.696848|2.152112|0.108248|0.108597|0.096045|0.216007|0.500000| |3.537096|4.916055|5.632467|8.898208|17.826312|8.902255|5.633983|9.498830|6.858912|14.860020|4.471324|3.755451|5.360549|3.013969|4.914919|2.464098|3.023554|0.062007|2.274249|1.996949|2.406008|1.738902|1.900246|1.591658|1.447976|0.040959|1.329442|2.200594|1.144652|1.075556|1.023208|0.978211|1.000245|1.884000|2.480839|0.090329|0.090263|0.090091|0.124094|0.215903|0.500000| |7.020208|8.946809|5.664842|4.983661|5.639227|8.906142|17.678633|10.086896|4.870403|7.083908|4.092132|3.180646|5.157103|3.334754|5.793724|2.910471|3.405184|0.065528|2.600298|2.186227|2.694854|1.924505|2.175150|1.747444|1.628079|0.047446|1.469680|2.464495|1.265237|1.198826|1.148081|1.098316|1.117057|2.093411|2.780553|0.153237|0.151988|0.223414|0.124327|0.108046|0.124009|0.500000| |3.921483|4.927425|4.091106|4.297364|5.738649|9.291549|7.668149|26.043374|9.562080|10.871535|7.825445|5.053351|7.756202|5.235764|10.916381|4.045979|4.501525|0.087166|3.389354|2.709455|3.234021|2.333507|2.705348|2.038830|1.850302|0.053402|1.642566|2.713684|1.379509|1.294320|1.224628|1.168347|1.198899|2.269115|3.165371|0.095412|0.094987|0.115135|0.092633|0.098201|0.142852|0.237467|0.500000| |2.077524|2.418684|2.358495|2.668629|3.304595|3.484624|2.864651|6.069234|6.379203|11.792057|8.597948|17.870642|16.255063|6.082251|7.927028|4.275817|5.296358|0.121213|3.618563|3.083358|3.567924|2.717379|3.040841|2.258316|1.955520|0.053723|1.739198|2.807847|1.432933|1.325949|1.230690|1.174998|1.226269|2.353255|3.409448|0.054156|0.053872|0.058139|0.058067|0.069662|0.102830|0.078365|0.115498|0.500000| |1.933345|2.088707|1.910569|1.980689|2.284637|2.610967|2.457037|4.371642|3.443578|5.304919|4.626383|4.854851|12.408658|8.960630|8.215364|17.609675|12.405619|0.220681|5.588658|4.168156|5.434365|4.739677|7.344043|3.076325|2.747127|0.077207|2.262014|3.710291|1.814720|1.698305|1.556804|1.500002|1.592265|3.071164|5.046773|0.050696|0.049852|0.057063|0.047999|0.050617|0.063886|0.073795|0.098939|0.111609|0.500000| |2.186646|2.344680|2.091936|2.133873|2.462741|2.909275|2.807723|4.921926|3.664310|5.429083|4.819102|4.489934|10.254011|9.010383|9.829603|17.664040|12.308310|0.181461|7.079363|4.645575|5.872993|4.573180|6.810806|3.245769|2.913360|0.085156|2.377053|3.890843|1.886533|1.758137|1.622163|1.547621|1.622757|3.128713|5.135629|0.056380|0.056372|0.065783|0.052219|0.053731|0.067335|0.087153|0.117477|0.100942|0.299944|0.500000| |2.011684|2.141102|1.938161|1.977290|2.247262|2.583572|2.499467|4.199917|3.140511|4.840145|3.868345|3.729906|7.988286|5.611603|6.727229|7.059133|12.418191|0.181873|17.635176|8.844997|9.651691|5.854161|7.018356|4.776467|3.973259|0.119483|3.110693|4.852286|2.290454|2.061707|1.878307|1.743720|1.815193|3.576814|6.390061|0.051245|0.053379|0.059976|0.048875|0.050332|0.061778|0.075979|0.096074|0.088475|0.145792|0.217192|0.500000| |2.057524|2.258359|2.079130|2.178319|2.538695|2.890530|2.670627|4.863248|3.867464|5.968555|5.041492|5.070479|10.978298|7.186387|8.304984|7.041940|12.317838|0.224525|17.639497|8.788290|7.680576|4.981861|5.610228|4.160271|3.304440|0.093637|2.731104|4.213510|2.047826|1.836168|1.675770|1.559533|1.623678|3.192252|5.376163|0.052238|0.054543|0.060198|0.051925|0.055590|0.071401|0.078993|0.107793|0.117576|0.142918|0.177655|0.299796|0.500000| |1.717652|1.830037|1.705972|1.760068|1.970979|2.170679|2.071909|3.398961|2.611472|4.250029|3.056465|3.120735|6.340114|3.794518|4.657987|4.138529|7.630892|0.145039|9.038852|17.605657|12.468393|5.740909|4.970615|7.272012|4.937042|0.138137|3.976778|5.674821|2.675880|2.290407|2.048057|1.851137|1.921298|3.880058|7.079414|0.043962|0.046483|0.050118|0.043586|0.045708|0.055160|0.060790|0.073702|0.079060|0.097159|0.112188|0.217011|0.213661|0.500000| |1.627906|1.754430|1.654027|1.731264|1.956755|2.130552|1.991199|3.381080|2.698435|4.458494|3.265085|3.564029|7.603689|4.213361|4.840525|4.572775|9.318836|0.207437|8.844496|17.396583|12.203682|7.129553|5.785017|6.786004|4.455601|0.115015|3.610633|5.209539|2.494538|2.156998|1.912138|1.757260|1.855171|3.750159|7.038662|0.042039|0.043716|0.047101|0.042195|0.045249|0.055692|0.057756|0.072223|0.091784|0.110048|0.113410|0.173302|0.214654|0.302101|0.500000| |1.432125|1.499451|1.399445|1.432410|1.583071|1.732684|1.675472|2.685384|2.061846|3.385236|2.436821|2.573286|5.538919|3.265035|3.763280|4.144660|7.623535|0.145375|4.968128|5.754352|12.486165|17.685488|8.998595|7.288149|6.759935|0.164898|4.539708|7.074927|3.136377|2.802963|2.397011|2.259741|2.500568|5.167928|15.541611|0.037609|0.038237|0.041957|0.036127|0.037453|0.044276|0.049433|0.058501|0.066154|0.113976|0.109482|0.130648|0.109221|0.127933|0.144880|0.500000| |1.466612|1.559668|1.467771|1.523336|1.702899|1.851941|1.754563|2.909193|2.297059|3.803106|2.775698|3.056587|6.782062|3.772125|4.190038|4.605627|9.394195|0.209922|5.831887|7.189590|12.243797|17.387917|8.864513|6.774321|5.059648|0.122805|3.828086|5.742211|2.687306|2.373379|2.060599|1.935675|2.110017|4.306969|9.641898|0.038424|0.039108|0.042612|0.037706|0.039936|0.048241|0.051214|0.062600|0.079315|0.124571|0.112296|0.134631|0.130941|0.145172|0.213643|0.302017|0.500000| |1.611025|1.707803|1.582645|1.630030|1.832811|2.036211|1.946325|3.250243|2.531606|4.074876|3.145569|3.378396|7.890957|4.783505|5.058886|7.125778|12.348355|0.225825|5.616871|4.981710|7.676728|8.800399|17.621821|4.155733|3.717140|0.100883|2.892997|4.703592|2.233918|2.072416|1.853028|1.783825|1.934119|3.809237|7.321431|0.042393|0.042327|0.047340|0.040424|0.042277|0.051370|0.057808|0.071696|0.084052|0.227711|0.168659|0.143463|0.126514|0.109254|0.130124|0.212555|0.214738|0.500000| |1.723381|1.806580|1.650272|1.677363|1.877138|2.117940|2.065011|3.366654|2.538980|4.013997|3.099971|3.141421|7.003780|4.637392|5.204227|7.093252|12.389882|0.181805|7.001381|5.843507|9.635122|8.839095|17.632663|4.770103|4.393537|0.128542|3.251797|5.287157|2.442071|2.253868|2.023053|1.922642|2.058047|4.062661|8.188440|0.044948|0.045437|0.051279|0.042122|0.043166|0.051842|0.062404|0.075889|0.076784|0.184582|0.206908|0.210553|0.143178|0.130764|0.133776|0.215223|0.173308|0.299335|0.500000| |1.449206|1.518715|1.427707|1.462246|1.604749|1.737765|1.680812|2.646569|2.017088|3.352029|2.295357|2.370201|4.762412|2.777291|3.424272|3.104221|5.461447|0.107055|4.903439|7.677463|12.559008|5.726715|4.240839|17.578143|8.974853|0.213620|7.140303|8.548413|3.805949|3.030001|2.596788|2.276568|2.383482|5.019460|10.268315|0.037558|0.039434|0.042171|0.036984|0.038390|0.044881|0.049073|0.056869|0.061817|0.078277|0.084733|0.129572|0.116428|0.239631|0.184847|0.145000|0.145054|0.097799|0.113152|0.500000| |1.352455|1.422268|1.344904|1.385443|1.523299|1.638943|1.572980|2.505160|1.937603|3.247658|2.229893|2.368123|4.855104|2.748013|3.294169|3.119185|5.604308|0.115324|4.444200|6.570123|12.239978|7.276184|4.656220|17.474181|8.864686|0.174314|6.829108|8.461412|3.800674|3.067057|2.561694|2.300780|2.490945|5.330315|12.981189|0.035335|0.036589|0.039203|0.034871|0.036535|0.042923|0.045708|0.053516|0.062518|0.081562|0.082273|0.111843|0.105141|0.163792|0.184653|0.192208|0.206301|0.111391|0.116165|0.301959|0.500000| |1.267782|1.306333|1.232111|1.248423|1.345028|1.443406|1.418586|2.145359|1.608519|2.697808|1.778147|1.812617|3.551795|2.073571|2.624260|2.297364|3.725001|0.072959|3.073389|3.870134|6.310613|3.727055|2.999806|6.781499|8.796891|0.216142|17.502433|16.495637|6.996885|4.660470|3.787670|3.065150|3.142621|6.968737|10.160111|0.033116|0.034739|0.036878|0.032294|0.032975|0.037382|0.041353|0.045935|0.047839|0.059972|0.064155|0.086047|0.076194|0.115202|0.098874|0.107456|0.095565|0.073721|0.083890|0.210284|0.164424|0.500000| |1.195613|1.238151|1.173851|1.196537|1.292593|1.380118|1.345712|2.059534|1.562560|2.637784|1.740698|1.807087|3.576268|2.048614|2.549328|2.282249|3.740890|0.075092|2.937679|3.715936|6.262609|4.037399|3.098104|6.972469|8.837650|0.174143|17.499837|16.544479|7.334990|4.851527|3.695943|3.116804|3.387250|7.891523|12.603861|0.031401|0.032606|0.034646|0.030763|0.031716|0.036159|0.039058|0.043882|0.048109|0.060784|0.062378|0.079594|0.072620|0.103325|0.099788|0.121332|0.108094|0.078049|0.083750|0.179820|0.206753|0.299639|0.500000| |1.103271|1.124751|1.065588|1.073243|1.141968|1.215689|1.204799|1.779159|1.324343|2.238275|1.439616|1.461455|2.822625|1.640877|2.103456|1.799764|2.787875|0.054976|2.196270|2.553103|4.007033|2.635810|2.252155|3.666618|4.656606|0.123859|7.027198|16.490982|17.553377|9.030860|6.906844|4.647073|4.456267|10.232517|7.250677|0.029066|0.030329|0.032020|0.028178|0.028504|0.031656|0.035007|0.037924|0.038909|0.048075|0.050534|0.062043|0.055776|0.073610|0.067071|0.078458|0.069041|0.057778|0.063689|0.103593|0.097502|0.202301|0.174313|0.500000| |1.068009|1.094994|1.040880|1.054188|1.125942|1.195383|1.176192|1.758305|1.321198|2.241453|1.446599|1.487479|2.894876|1.662620|2.104800|1.831669|2.865373|0.057300|2.202898|2.586704|4.132870|2.824365|2.352307|3.852996|4.862391|0.117980|7.386371|16.572082|17.525089|8.980745|5.794100|4.498579|4.886377|12.663555|8.276408|0.028221|0.029232|0.030914|0.027485|0.028053|0.031376|0.034080|0.037369|0.039811|0.049492|0.050690|0.061005|0.055705|0.072412|0.069482|0.085930|0.075627|0.061198|0.065168|0.103351|0.109077|0.174676|0.227412|0.300494|0.500000| |1.019078|1.027056|0.971935|0.970937|1.023575|1.088465|1.090130|1.576099|1.161191|1.962733|1.248481|1.255412|2.403989|1.406683|1.824296|1.538623|2.304489|0.045180|1.777355|1.963729|3.020987|2.069431|1.859314|2.537692|3.097901|0.087571|3.741914|8.655900|6.352865|8.832290|17.794529|8.442556|5.858098|10.453078|5.281944|0.027016|0.028055|0.029630|0.025859|0.025813|0.028215|0.031728|0.033635|0.033420|0.041579|0.043700|0.050969|0.045594|0.055918|0.051502|0.061901|0.054032|0.048690|0.053517|0.070206|0.067348|0.103167|0.095272|0.191932|0.140551|0.500000| |0.945396|0.949931|0.899524|0.897376|0.943844|1.002456|1.005688|1.448838|1.067138|1.806031|1.146722|1.155225|2.214350|1.293451|1.674401|1.419992|2.091748|0.041115|1.567495|1.690449|2.600709|1.858569|1.706021|2.103697|2.515022|0.070479|2.800351|6.234600|4.040720|5.844581|8.437483|17.806538|8.830263|10.446394|4.613690|0.025240|0.025918|0.027488|0.023983|0.023887|0.026012|0.029273|0.030915|0.030812|0.039015|0.040287|0.044852|0.040262|0.047056|0.044669|0.056372|0.048802|0.045711|0.049163|0.056519|0.056748|0.073603|0.073824|0.105595|0.100500|0.192947|0.500000| |0.964618|0.976355|0.924818|0.927934|0.982773|1.045208|1.040945|1.524503|1.132700|1.916477|1.231452|1.254308|2.434319|1.413254|1.802035|1.571974|2.338554|0.046235|1.711536|1.856308|2.925568|2.165564|1.957965|2.369700|2.872648|0.077530|3.115180|6.988705|4.286394|6.038474|5.819122|8.621806|17.836117|16.494640|5.692144|0.025781|0.026274|0.028036|0.024554|0.024687|0.027205|0.030304|0.032545|0.033483|0.043753|0.044128|0.048413|0.043489|0.050479|0.049413|0.067709|0.057185|0.053244|0.055834|0.061420|0.065298|0.077101|0.084637|0.100747|0.113492|0.123146|0.195276|0.500000| 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