Version2.1 2020-12-18T22:04:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(c(c3)Cl)Cl C39693359 RHF 6-31G(d) (6D,7F) CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(c(c3)Cl)Cl C01[X(C23H33Cl2N4O4)] 192 C1 569 O=C(OC(C)(C)C)NCCNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)Cl)Cl O=C(OC(C)(C)C)NCCNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)Cl)Cl CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(Cl)c(Cl)c3 InChIKey=OJZPSYDPBZFMEP-MRXNPFEDSA-O InChI=1S/C23H32Cl2N4O4/c1-22(2,3)33-21(32)28-11-10-27-19(30)16-13-29(14-23(16)6-8-26-9-7-23)20(31)15-4-5-17(24)18(25)12-15/h4-5,12,16,26H,6-11,13-14H2,1-3H3,(H,27,30)(H,28,32)/p+1/t16-/m1/s1 InChI=1/C23H32Cl2N4O4/c1-22(2,3)33-21(32)28-11-10-27-19(30)16-13-29(14-23(16)6-8-26-9-7-23)20(31)15-4-5-17(24)18(25)12-15/h4-5,12,16,26H,6-11,13-14H2,1-3H3,(H,27,30)(H,28,32)/p+1/t16-/m1/s1/fC23H33Cl2N4O4/h26-28H/q+1 CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(c(c3)Cl)Cl C01[X(C23H33Cl2N4O4)] 192 C01 569 O=C(OC(C)(C)C)NCCNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)Cl)Cl O=C(OC(C)(C)C)NCC[NH][C](=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][C]([C]([CH]1)Cl)Cl CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)[C]3[CH][CH][C](Cl)[C](Cl)[CH]3 InChIKey=FPIPXOPNOANNPG-MRXNPFEDSA-N InChI=1S/C23H33Cl2N4O4/c1-22(2,3)33-21(32)28-11-10-27-19(30)16-13-29(14-23(16)6-8-26-9-7-23)20(31)15-4-5-17(24)18(25)12-15/h4-5,12,16H,6-11,13-14,26H2,1-3H3,(H,27,30)(H,28,32)/t16-/m1/s1 InChI=1/C23H33Cl2N4O4/c1-22(2,3)33-21(32)28-11-10-27-19(30)16-13-29(14-23(16)6-8-26-9-7-23)20(31)15-4-5-17(24)18(25)12-15/h4-5,12,16H,6-11,13-14,26H2,1-3H3,(H,27,30)(H,28,32)/t16-/m1/s1/f/h27-28H 3729.9037372085 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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 34.96885 34.96885 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 1.00783 10564.9863 47817.5032 51241.0439 0.99979 0.02039 0.00169 -0.02032 0.99923 -0.03344 -0.00237 0.03339 0.99944 1 0.00820 0.00181 0.00169 0.17082 0.03774 0.03522 9.90 14.02 19.49 34.80 38.71 46.69 56.51 77.65 81.87 99.74 129.64 145.38 168.17 172.98 183.72 208.18 228.04 243.27 274.81 304.34 314.37 328.54 331.32 350.54 381.84 391.85 396.42 413.07 430.25 436.28 451.26 462.47 466.06 500.03 526.69 535.71 537.07 548.27 564.28 610.35 637.18 651.10 659.73 677.08 703.24 708.85 715.60 722.23 735.40 768.75 801.82 843.03 844.75 891.80 963.41 1036.36 1065.00 1102.90 1120.54 1131.47 1165.49 1183.31 1226.63 1226.87 1239.43 1251.74 1265.12 1268.92 1287.10 1316.85 1352.17 1367.30 1381.21 1386.54 1402.00 1453.16 1456.04 1459.02 1473.67 1500.19 1524.86 1529.14 1542.18 1560.69 1575.55 1592.23 1599.69 1633.97 1638.75 1639.55 1656.23 1664.06 1665.67 1675.27 1693.50 1745.18 1759.17 1778.57 1814.09 1814.69 1836.59 1843.88 1851.03 1874.94 1903.96 1913.35 1920.66 1936.35 1944.88 1977.73 1978.93 2005.09 2007.99 2019.03 2027.03 2033.78 2067.81 2085.85 2093.44 2103.70 2112.37 2133.92 2163.18 2178.28 2199.66 2215.80 2218.06 2229.69 2241.48 2243.61 2246.44 2248.47 2257.13 2273.77 2277.67 2281.49 2329.67 2345.18 2352.58 2352.84 2354.30 2359.97 2364.98 2365.04 2375.99 2379.68 2386.27 2387.54 2403.36 2408.92 2423.05 2449.55 2483.87 2517.16 2589.20 2630.01 2774.90 2779.01 2804.61 4601.39 4618.93 4627.21 4628.33 4641.93 4642.61 4649.38 4661.66 4684.83 4690.95 4712.33 4715.64 4718.20 4721.70 4733.49 4736.41 4738.91 4744.04 4745.79 4766.86 4788.54 4794.49 4795.06 4802.88 4810.02 4827.95 4895.11 4909.02 4916.54 5274.06 5365.18 5563.45 5613.66 0.599734 0.631398 0.632342 0.530244 -2325.660836 -2325.629172 -2325.628228 -2325.730325 3.424350D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(c(c3)Cl)Cl C39693359 RHF 6-31G(d) (6D,10F) C1 499.187886 |X|Y|Z| 46.144707 62.626941 153.963657 76.342627 17 6 7 15 2 |36.858105| |12.482606|36.858105| |7.512446|12.482825|36.858105| |7.592684|12.492928|7.592799|36.858105| |7.796801|13.097981|7.797648|8.192087|73.516695| |6.319408|7.805584|6.311908|5.282472|25.710623|36.858105| |6.248097|6.697297|6.247561|4.462699|15.054596|15.886070|73.516695| |4.518844|5.308461|4.508515|4.270733|15.434797|14.050676|15.076372|53.358707| |3.581074|3.918953|3.588245|3.248856|9.526028|7.816029|12.244060|18.005029|36.858105| |3.412165|3.449199|3.086804|2.899395|7.828708|5.928595|10.229244|10.538781|12.466632|36.858105| |2.775151|2.787145|2.602577|2.394318|5.969614|4.260150|7.788374|6.951767|7.770323|13.077807|53.358707| |2.593829|2.522761|2.378072|2.173066|5.176753|3.580529|6.824046|5.387306|5.234994|7.742121|19.305123|36.858105| |2.775969|2.608047|2.433880|2.226915|5.241650|3.593124|7.023371|5.140257|4.623128|6.776799|11.543760|15.817671|73.516695| |2.158858|2.121227|2.040713|1.865678|4.261430|2.846152|5.371891|4.244794|3.970798|4.994567|10.684885|12.461878|14.192498|36.858105| |2.089260|2.093781|2.036572|1.848185|4.235117|2.831567|5.294233|4.292491|4.108190|4.816098|10.348511|8.876732|10.522876|17.564319|0.500000| |1.953638|1.910703|1.815923|1.716108|3.813416|2.472907|4.545186|3.705268|3.316695|4.154830|7.833975|7.581607|10.778781|12.353191|0.243591|36.858105| |1.873771|1.800431|1.714721|1.619204|3.519750|2.253325|4.196495|3.273890|2.820644|3.481216|6.004032|5.948742|10.143679|8.045902|0.162840|13.077493|53.358707| |1.953893|1.860634|1.792662|1.651815|3.595958|2.320543|4.436629|3.290161|2.823997|3.438631|5.857837|6.095433|11.291375|7.922642|0.158297|7.863516|17.832340|36.858105| |2.027363|1.965430|1.920614|1.727379|3.839166|2.525566|4.881138|3.611652|3.212274|3.824986|6.979917|7.396457|11.747092|12.264038|0.242075|7.850465|11.010512|12.343477|36.858105| |2.201018|2.120013|2.107325|1.829876|4.089252|2.721104|5.459750|3.763722|3.306745|3.807752|6.515152|6.459418|11.411868|7.352458|0.174724|4.987388|6.957749|7.395426|12.377055|36.858105| |1.975742|1.892962|1.905081|1.651577|3.565406|2.310931|4.617745|3.137344|2.647752|2.940017|4.713926|4.292906|7.881346|4.826893|0.121673|3.838754|5.704552|5.975343|7.457959|12.517142|36.858105| |1.742969|1.696755|1.716990|1.501413|3.201775|2.051222|4.016433|2.824257|2.384192|2.583727|4.169879|3.633548|6.300466|4.366942|0.117342|3.625914|5.268546|5.059292|6.432830|7.682336|12.633081|53.358707| |1.639441|1.591681|1.617096|1.416291|2.972480|1.882610|3.677009|2.571233|2.133262|2.289953|3.601767|3.074813|5.429204|3.567579|0.095985|3.095242|4.559379|4.244843|4.897304|5.671803|9.151872|25.681742|0.500000| |1.756667|1.729427|1.766568|1.527400|3.273579|2.105151|4.127278|2.904916|2.468149|2.615055|4.225234|3.568223|6.023598|4.251002|0.120223|3.439833|4.751575|4.324357|5.766061|7.048588|9.202564|25.672613|0.328392|0.500000| |1.644675|1.606154|1.604359|1.436194|3.059074|1.950521|3.744960|2.737530|2.327603|2.563117|4.232638|3.726903|6.281260|4.878168|0.130396|4.311772|6.416345|5.973581|7.401992|6.485600|7.594816|17.224309|0.254725|0.255446|36.858105| |1.768934|1.738407|1.719539|1.549228|3.371864|2.179329|4.154842|3.125120|2.738377|3.082262|5.401250|4.913250|7.716175|7.581090|0.204263|6.229904|8.469126|7.483051|12.310221|7.608543|6.506437|10.448527|0.157515|0.194758|12.495353|36.858105| |1.693328|1.626248|1.545315|1.483705|3.152576|1.979486|3.641250|2.867805|2.407691|2.894607|4.720660|4.267434|7.459253|5.210576|0.119370|7.891600|19.019938|7.517250|5.252471|3.807262|3.380701|4.409543|0.081005|0.081442|3.958092|4.731654|36.858105| |1.608988|1.560095|1.479258|1.436903|3.038801|1.894392|3.436012|2.778093|2.327352|2.760056|4.463015|3.816725|6.440928|4.602136|0.111877|7.157001|11.646649|5.312959|4.307883|3.232811|2.875257|3.846237|0.071239|0.072820|3.427829|4.111018|15.872491|73.516695| |1.603751|1.524180|1.452436|1.395355|2.908359|1.805590|3.341189|2.566248|2.104911|2.485913|3.888608|3.454888|6.368637|3.950615|0.093083|5.013764|10.497604|6.306959|4.312117|3.414417|3.236273|4.192435|0.079559|0.075958|3.669538|3.960777|12.691245|14.412980|36.858105| |1.435779|1.372472|1.314764|1.267682|2.603829|1.600189|2.945530|2.271018|1.844924|2.125105|3.277076|2.804583|5.073132|3.202305|0.078955|3.933905|7.138521|4.537118|3.473288|2.849615|2.790632|3.759367|0.073033|0.068718|3.308067|3.425032|7.693485|11.876426|13.704298|36.858105| |1.359161|1.292731|1.241189|1.198437|2.427757|1.479854|2.729142|2.078091|1.665077|1.895965|2.861924|2.417351|4.446293|2.675276|0.066782|3.115016|5.390114|3.712064|2.931187|2.527522|2.549031|3.420601|0.068033|0.062511|2.906774|2.887244|5.074600|8.065849|7.937894|13.816686|36.858105| |1.410792|1.328197|1.273185|1.228186|2.476973|1.507090|2.794895|2.094733|1.664808|1.902107|2.832245|2.406133|4.546555|2.586518|0.063948|2.918349|5.064579|3.679999|2.865686|2.550689|2.602440|3.390057|0.067910|0.061601|2.780389|2.728875|4.451419|6.822534|6.852446|7.933172|13.720616|36.858105| |1.568845|1.463806|1.396211|1.343085|2.733987|1.674140|3.123724|2.318798|1.847269|2.146845|3.196953|2.776745|5.402772|2.930145|0.070665|3.282722|5.919204|4.436991|3.274513|2.922127|2.940129|3.682089|0.072747|0.066417|2.972100|2.967385|5.011831|7.219925|7.915070|6.871635|7.939789|13.733875|36.858105| |1.690529|1.583229|1.504127|1.443083|2.994310|1.855696|3.463240|2.598129|2.104496|2.500538|3.815665|3.422230|6.673930|3.678997|0.085796|4.301270|8.572345|6.142903|4.104743|3.465432|3.339106|4.126438|0.079160|0.074188|3.416399|3.572801|7.520198|9.602675|13.757042|7.952624|6.895863|7.940305|13.742917|36.858105| |1.633281|1.500663|1.429301|1.375024|2.765334|1.681597|3.157920|2.289900|1.793567|2.072372|3.000469|2.575256|5.157831|2.597983|0.063160|2.769166|4.706920|3.707851|2.886314|2.736280|2.790808|3.392105|0.067833|0.061683|2.600823|2.566517|3.656193|5.484203|4.783388|4.230099|4.747590|6.973187|10.999696|7.101092|448.794386| |1.293840|1.216401|1.170526|1.132082|2.245323|1.352391|2.505350|1.864383|1.462446|1.643274|2.403686|1.999157|3.773689|2.111462|0.053241|2.310961|3.800573|2.819119|2.320727|2.142620|2.225797|2.920431|0.059660|0.053668|2.327095|2.239842|3.172028|5.092247|4.226937|4.791435|7.095589|11.028672|6.989198|4.755573|47.617829|448.794386| |17.636244|8.778459|6.881353|5.506389|12.201534|6.663280|13.621464|6.304276|3.823780|3.714383|4.125669|2.872147|5.559912|2.357966|0.062940|2.099426|2.753122|2.141145|2.232842|2.471389|2.206683|2.608427|0.049907|0.053593|1.789651|1.923596|1.807594|3.024276|1.712438|1.522361|1.438856|1.498626|1.678213|1.815673|14.071568|10.984127|0.500000| |17.557295|8.829652|5.485425|6.939695|12.781738|5.875218|9.723595|6.156809|3.574615|3.529348|3.846410|2.639814|5.057518|2.181041|0.058181|2.002825|2.616079|1.981400|2.028318|2.164916|1.933160|2.322977|0.044526|0.047486|1.628570|1.761406|1.746002|2.957597|1.652464|1.475557|1.395493|1.450000|1.616895|1.745501|13.524361|10.652186|0.300346|0.500000| |17.559820|8.878564|6.782451|6.968408|10.041940|4.714075|8.480767|4.919701|2.984703|2.865560|3.280648|2.289038|4.356048|1.945434|0.052339|1.774978|2.340376|1.797639|1.853236|2.013779|1.840768|2.221921|0.042999|0.045633|1.536672|1.633944|1.567530|2.649089|1.499216|1.351563|1.288779|1.341882|1.485761|1.584629|12.511039|9.967921|0.301003|0.301436|0.500000| |6.781958|8.878161|17.559572|6.968352|10.042320|4.710732|8.480119|4.912131|2.989008|2.656713|3.116796|2.130626|3.904433|1.854050|0.051211|1.665590|2.163082|1.664692|1.767255|1.938256|1.780802|2.191524|0.042453|0.045867|1.502226|1.593113|1.443285|2.455455|1.368598|1.245201|1.182960|1.217287|1.331116|1.422219|11.012557|9.049599|0.168405|0.139238|0.199903|0.500000| |5.485577|8.830311|17.557456|6.939826|12.785187|5.865687|9.723455|6.133557|3.586978|2.981060|3.453707|2.286933|4.082534|1.986282|0.055751|1.770303|2.255244|1.719982|1.856650|2.019881|1.824738|2.267617|0.043557|0.047919|1.563915|1.681171|1.496556|2.563387|1.399672|1.272715|1.198728|1.222288|1.332689|1.437290|10.860922|9.019546|0.140926|0.123298|0.139245|0.301417|0.500000| |6.882257|8.779748|17.636555|5.506740|12.204042|6.655218|13.621596|6.289458|3.832822|3.301769|3.822280|2.584594|4.723152|2.205022|0.061069|1.929726|2.483947|1.932181|2.091284|2.339702|2.108604|2.561207|0.049086|0.053962|1.737569|1.859970|1.629157|2.753069|1.530145|1.379031|1.299790|1.335236|1.469903|1.588361|12.084962|9.822253|0.206566|0.140935|0.168430|0.300976|0.300347|0.500000| |6.964601|8.819770|5.512953|17.575050|13.228526|4.983391|7.344643|5.782802|3.228045|2.956693|3.290300|2.192374|4.008062|1.874285|0.051284|1.744240|2.240126|1.664143|1.723338|1.804172|1.622738|2.007380|0.038605|0.041466|1.422280|1.540357|1.515203|2.616916|1.424084|1.292310|1.220977|1.251677|1.370395|1.473816|11.262841|9.250731|0.141570|0.209645|0.173318|0.141544|0.141845|0.123114|0.500000| |5.512943|8.819912|6.964304|17.575045|13.230695|4.981145|7.344701|5.775100|3.231851|2.799515|3.177868|2.096165|3.757940|1.818569|0.050573|1.673015|2.132204|1.590676|1.676069|1.767171|1.594821|1.992383|0.038340|0.041583|1.403899|1.517316|1.437259|2.488118|1.345745|1.227640|1.158172|1.180444|1.284117|1.381155|10.473407|8.733441|0.123107|0.141846|0.141543|0.173305|0.209636|0.141572|0.300964|0.500000| |6.876760|8.844167|6.877372|17.572177|10.282491|4.226497|6.776890|4.737200|2.781678|2.535591|2.918711|1.980104|3.630645|1.719957|0.047216|1.588375|2.059857|1.550884|1.613193|1.715225|1.567911|1.942909|0.037628|0.040267|1.361013|1.454393|1.393983|2.396019|1.321908|1.206139|1.146950|1.179168|1.286524|1.372003|10.641887|8.783449|0.140790|0.169684|0.207499|0.207517|0.169697|0.140801|0.300798|0.300796|0.500000| |4.196702|5.069151|4.196079|4.434616|14.687048|9.425628|10.893259|26.098367|8.956359|6.174005|5.945287|3.450126|5.839727|2.808397|0.079208|2.526347|3.040548|2.210839|2.394149|2.449818|2.074396|2.575783|0.048157|0.053956|1.852746|2.106063|1.988894|3.465756|1.783073|1.590638|1.458474|1.465565|1.611668|1.796551|12.753655|10.516155|0.113684|0.119883|0.095171|0.095160|0.119861|0.113675|0.126313|0.126309|0.098621|0.500000| |3.494844|3.827803|3.718286|3.104332|8.824345|7.322098|13.363348|12.555194|17.616493|8.885560|9.788297|5.203649|8.151536|4.056720|0.118928|3.245756|3.798643|2.875954|3.379243|3.626710|2.883589|3.520801|0.063956|0.075516|2.471780|2.892521|2.359259|4.012301|2.076359|1.824122|1.651034|1.652846|1.831842|2.079507|14.307060|11.683699|0.106422|0.093554|0.081923|0.085721|0.103525|0.114867|0.083360|0.085964|0.075062|0.182780|0.500000| |3.064352|3.400016|3.156953|2.958513|8.033066|5.818215|9.006239|12.632721|17.553376|8.809041|9.450239|4.684832|7.105347|3.810087|0.113570|3.272709|3.707560|2.663118|3.034752|3.027127|2.455813|3.088856|0.056510|0.065595|2.252583|2.668460|2.354948|4.122808|2.039830|1.805615|1.623019|1.606447|1.763843|2.007520|13.593777|11.335272|0.088576|0.085515|0.072710|0.074365|0.090084|0.091521|0.082160|0.083743|0.070840|0.228548|0.302074|0.500000| |3.275023|3.294996|2.867999|2.870138|7.474426|5.227943|8.475863|9.457700|8.816630|17.554256|12.351719|6.299813|10.233764|4.417158|0.117154|4.012510|4.588362|3.202904|3.406876|3.274927|2.609560|3.167564|0.057904|0.064846|2.349761|2.804382|2.885733|4.984384|2.473501|2.121539|1.891573|1.893298|2.130913|2.479074|16.471182|13.134620|0.095960|0.097283|0.076855|0.069397|0.077195|0.082848|0.083488|0.076941|0.069526|0.173226|0.173766|0.212277|0.500000| |3.884550|3.741738|3.311635|3.045496|8.264834|6.395299|12.054095|9.634422|8.880169|17.682483|12.609913|7.481167|13.962293|4.703299|0.120527|3.890465|4.689297|3.537155|3.846013|4.009226|3.104018|3.598296|0.065368|0.073575|2.570969|3.023359|2.857683|4.737973|2.513270|2.132575|1.921551|1.956579|2.236914|2.593656|17.682221|13.606641|0.122163|0.111712|0.089242|0.079238|0.086142|0.100193|0.086004|0.079664|0.074429|0.153203|0.212385|0.173709|0.301934|0.500000| |2.508467|2.572004|2.431051|2.251417|5.499604|3.822545|6.810827|6.383775|7.115009|9.009382|26.049234|9.442570|10.881694|7.549245|0.238779|5.778791|5.717713|3.962690|4.819593|4.335601|3.229576|4.052617|0.071482|0.085024|3.083009|4.001637|3.373882|5.841135|2.741606|2.351469|2.042654|1.992700|2.212032|2.624645|16.453839|13.613292|0.074848|0.070657|0.061174|0.059641|0.066990|0.072178|0.063010|0.061887|0.056107|0.115722|0.184570|0.205575|0.205465|0.179985|0.500000| |1.786535|1.766076|1.691293|1.601695|3.513576|2.253302|4.107038|3.387392|3.006756|3.576806|6.505572|5.612317|8.131131|8.716047|0.224228|17.600416|12.363119|6.108161|6.448977|4.305024|3.490037|4.749356|0.083463|0.093269|4.309811|6.273323|7.157440|13.291237|4.634128|3.886536|3.051025|2.775465|3.009029|3.810607|20.185459|17.824905|0.052896|0.050678|0.045367|0.043235|0.046180|0.049697|0.045124|0.043698|0.041285|0.064958|0.082187|0.084617|0.096749|0.091717|0.142361|0.500000| |2.027732|1.982932|1.856025|1.790849|3.998881|2.583513|4.660346|3.938337|3.511763|4.559740|8.347775|7.410609|10.742101|8.664470|0.191064|17.612459|12.345255|5.965969|5.702414|4.155464|3.268629|4.145711|0.073858|0.081170|3.472558|4.623150|6.898681|12.211662|4.590096|3.646639|2.935813|2.775970|3.130074|4.048676|21.562572|17.831517|0.060068|0.058444|0.050898|0.047155|0.050251|0.054330|0.051037|0.048439|0.045796|0.075346|0.092084|0.096961|0.128825|0.115882|0.169740|0.304051|0.500000| |1.790874|1.704240|1.654105|1.523906|3.252696|2.070669|3.954975|2.906325|2.446678|2.883179|4.727637|4.549785|8.437414|5.677157|0.126671|5.833308|12.385271|17.607035|8.626915|6.235146|6.046305|7.371539|0.130705|0.122291|6.747444|7.094943|7.022169|8.859652|6.935643|5.130095|4.241860|4.202676|5.008224|6.745575|32.249604|25.332297|0.054287|0.050273|0.046246|0.043025|0.044133|0.049410|0.042556|0.040811|0.040031|0.054685|0.069550|0.064561|0.075300|0.082468|0.090776|0.141235|0.129236|0.500000| |2.122367|1.987676|1.900632|1.751101|3.823499|2.474078|4.779829|3.457107|2.928938|3.645220|5.973468|6.344795|13.736091|6.729372|0.136910|6.332511|12.306443|17.639757|8.829690|7.164908|5.769827|6.103741|0.107541|0.108093|4.771259|5.518424|6.139286|8.070829|5.652316|4.079373|3.495127|3.639571|4.611799|6.323955|32.967282|22.707014|0.065222|0.060018|0.054105|0.049042|0.050136|0.057088|0.049109|0.046429|0.045695|0.064077|0.082490|0.075069|0.094090|0.108355|0.107470|0.135649|0.150539|0.301624|0.500000| |2.455946|2.321601|2.285241|1.977641|4.468313|3.003840|6.151933|4.080481|3.545987|4.217277|6.927791|7.097875|14.624688|6.614383|0.151090|4.688476|6.633945|6.895219|8.786411|17.648291|8.991613|7.621415|0.126935|0.144055|4.865308|5.516177|3.671571|5.524238|3.349659|2.757105|2.473881|2.549191|2.986458|3.538001|23.169238|17.258989|0.077866|0.067213|0.061991|0.058223|0.060009|0.070966|0.054255|0.052501|0.051415|0.072874|0.107369|0.087445|0.099491|0.130115|0.120927|0.108818|0.114311|0.156871|0.219536|0.500000| |2.251567|2.209485|2.227618|1.895588|4.295635|2.894925|5.850323|4.022420|3.608949|3.975717|6.858011|6.201958|10.073753|6.859482|0.186494|4.516133|5.823036|5.444823|8.805660|17.496533|8.912355|9.440474|0.144707|0.207474|5.698390|6.817788|3.302065|5.183501|2.930163|2.511253|2.239309|2.238769|2.513247|2.924286|19.020336|15.363735|0.070206|0.060855|0.056991|0.056464|0.059830|0.069261|0.051493|0.051235|0.049155|0.072084|0.114330|0.091964|0.092637|0.113736|0.130099|0.112390|0.107067|0.131166|0.145180|0.304239|0.500000| |1.908137|1.807029|1.801564|1.587669|3.380801|2.165811|4.291296|2.932896|2.437119|2.745849|4.326361|3.972743|7.594020|4.406509|0.107607|3.751536|5.951341|6.520236|6.685408|8.739630|17.622604|12.421791|0.223875|0.181097|6.958521|5.747368|3.603682|5.315031|3.609478|3.081884|2.850064|2.969493|3.415331|3.849698|26.124896|20.197143|0.058999|0.052275|0.049649|0.047091|0.047711|0.054958|0.043585|0.042392|0.042037|0.054294|0.072241|0.062872|0.069039|0.081158|0.081856|0.093999|0.089396|0.201344|0.180784|0.212448|0.173073|0.500000| |2.032419|1.943684|1.983780|1.685194|3.616435|2.338824|4.743246|3.115495|2.588854|2.805523|4.345961|3.795819|7.056110|4.010962|0.104204|3.230105|4.675497|4.563987|5.445743|8.776412|17.629131|12.355856|0.222797|0.224175|5.578970|4.887213|2.858002|4.416450|2.768709|2.430620|2.263399|2.333651|2.618009|2.893588|20.597523|16.434178|0.063507|0.054606|0.052888|0.051725|0.052581|0.061584|0.045640|0.045136|0.044654|0.057020|0.079396|0.066170|0.068827|0.083267|0.082490|0.082296|0.078909|0.126908|0.128407|0.212894|0.215709|0.301315|0.500000| |1.600968|1.548995|1.537700|1.390577|2.932798|1.855815|3.554089|2.591490|2.174256|2.422835|3.930076|3.494133|6.099653|4.422096|0.113070|4.170277|6.734728|6.459123|6.591722|5.688207|6.934403|12.449349|0.225352|0.181245|17.640623|8.723610|4.313201|6.430934|4.228958|3.822264|3.376575|3.237457|3.455633|3.953221|23.719371|21.376327|0.048330|0.044261|0.041711|0.040190|0.041440|0.046077|0.038407|0.037600|0.036726|0.048930|0.063333|0.058218|0.062510|0.068199|0.078465|0.113943|0.094406|0.235410|0.142310|0.127337|0.131860|0.208900|0.143097|0.500000| |1.523667|1.499191|1.504683|1.350504|2.848953|1.801619|3.431161|2.534597|2.140071|2.310579|3.761667|3.185158|5.314218|4.072150|0.114007|3.725699|5.350995|4.565276|5.423442|4.888630|5.576619|12.360044|0.222369|0.224463|17.626033|8.773933|3.473696|5.564781|3.241528|3.047154|2.708963|2.551907|2.652509|2.975761|18.675180|17.492947|0.045730|0.041846|0.039711|0.039256|0.040995|0.045061|0.037101|0.036853|0.035626|0.048020|0.063058|0.058242|0.059313|0.063735|0.077551|0.107778|0.085434|0.140678|0.105044|0.107548|0.128544|0.143049|0.126449|0.301741|0.500000| |1.776354|1.769310|1.764672|1.575301|3.451846|2.241312|4.263913|3.238857|2.875914|3.139933|5.547547|4.749971|7.167769|7.078112|0.227712|5.462145|6.698468|5.485961|8.783151|6.796153|5.674351|9.377554|0.144029|0.204664|8.921784|17.516044|3.900678|6.339428|3.279973|2.908162|2.495833|2.364644|2.544505|2.993815|18.068379|15.948621|0.053532|0.048840|0.045486|0.045220|0.048312|0.053115|0.043297|0.043145|0.040966|0.060553|0.085750|0.078855|0.078422|0.083982|0.118296|0.158749|0.118211|0.141292|0.123367|0.139232|0.199288|0.132186|0.127515|0.173205|0.217318|0.500000| |1.664803|1.638424|1.608725|1.475561|3.183114|2.036146|3.821092|2.947852|2.563595|2.897789|5.032445|4.466104|6.999961|6.868759|0.185398|6.920060|9.444466|7.021674|8.718892|5.508292|4.884327|7.627191|0.127149|0.143377|9.011953|17.586532|5.557597|8.793202|4.423550|3.887336|3.159696|2.885787|3.076193|3.747612|20.658832|18.717356|0.049827|0.046387|0.042798|0.041502|0.043818|0.047876|0.040988|0.040219|0.038484|0.055872|0.073648|0.070463|0.075110|0.077918|0.105638|0.217407|0.138544|0.190928|0.140771|0.122968|0.139165|0.128880|0.107654|0.213798|0.212831|0.304201|0.500000| |1.377882|1.328185|1.274864|1.231388|2.529299|1.552598|2.841865|2.219613|1.809615|2.065634|3.203934|2.695981|4.754135|3.134820|0.079034|3.919174|6.689611|4.104163|3.320817|2.697324|2.621370|3.621017|0.070164|0.067101|3.241911|3.404727|7.189832|12.963116|8.923825|17.753296|8.938248|5.645573|4.954624|5.659106|27.427497|31.755143|0.040418|0.039286|0.036008|0.033500|0.034459|0.037060|0.034854|0.033282|0.032499|0.043370|0.049650|0.049708|0.057432|0.056834|0.064913|0.112921|0.100765|0.125444|0.100281|0.071504|0.067233|0.078571|0.063623|0.101639|0.085030|0.081462|0.110875|0.500000| |1.262806|1.206152|1.161556|1.123899|2.259315|1.369978|2.518169|1.923575|1.534299|1.725826|2.589450|2.151373|3.917529|2.376997|0.060432|2.734497|4.529430|3.130673|2.580066|2.254892|2.290977|3.127876|0.062837|0.057725|2.646037|2.600210|4.132378|6.936971|5.642866|8.925037|17.755281|8.955009|5.659466|4.966936|31.476669|54.677360|0.036980|0.035956|0.033378|0.030832|0.031255|0.033698|0.031781|0.030253|0.029944|0.037660|0.042298|0.041760|0.047892|0.048366|0.051750|0.075851|0.071964|0.098099|0.081757|0.060989|0.056325|0.070257|0.057141|0.084280|0.070062|0.063490|0.079143|0.214717|0.500000| 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