Version2.1 2020-12-19T00:11:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(=O)Oc1ccccc1C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H]4CN(CCO4)C C39696627 RHF 6-31G(d) (6D,7F) CC(=O)Oc1ccccc1C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H]4CN(CCO4)C C01[X(C24H35N4O5)] 198 C1 565 CN1CCO[C@H](C1)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1OC(=O)C CN1CCO[C@H](C1)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1OC(=O)C CN1CCO[C@@H](CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4OC(C)=O)C1 InChIKey=OWBNJRIKAFRGHJ-ICSRJNTNSA-O InChI=1S/C24H34N4O5/c1-17(29)33-21-6-4-3-5-19(21)23(31)28-15-20(24(16-28)7-9-25-10-8-24)22(30)26-13-18-14-27(2)11-12-32-18/h3-6,18,20,25H,7-16H2,1-2H3,(H,26,30)/p+1/t18-,20-/m0/s1 InChI=1/C24H34N4O5/c1-17(29)33-21-6-4-3-5-19(21)23(31)28-15-20(24(16-28)7-9-25-10-8-24)22(30)26-13-18-14-27(2)11-12-32-18/h3-6,18,20,25H,7-16H2,1-2H3,(H,26,30)/p+1/t18-,20-/m0/s1/fC24H35N4O5/h25-26H/q+1 CC(=O)Oc1ccccc1C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H]4CN(CCO4)C C01[X(C24H35N4O5)] 198 C01 565 CN1CCO[C@H](C1)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1OC(=O)C CN1CCO[C@H](C1)C[NH][C](=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][CH][CH][C]1OC(=O)C CN1CCO[C@@H](CNC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)[C]4[CH][CH][CH][CH][C]4OC(C)=O)C1 InChIKey=WNDQRJDKCITHTD-ICSRJNTNSA-N InChI=1S/C24H35N4O5/c1-17(29)33-21-6-4-3-5-19(21)23(31)28-15-20(24(16-28)7-9-25-10-8-24)22(30)26-13-18-14-27(2)11-12-32-18/h3-6,18,20H,7-16,25H2,1-2H3,(H,26,30)/t18-,20-/m0/s1 InChI=1/C24H35N4O5/c1-17(29)33-21-6-4-3-5-19(21)23(31)28-15-20(24(16-28)7-9-25-10-8-24)22(30)26-13-18-14-27(2)11-12-32-18/h3-6,18,20H,7-16,25H2,1-2H3,(H,26,30)/t18-,20-/m0/s1/f/h26H 3588.0870535120 -1521.1758469 1-A 21008.4167 123 442 565 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3201.3436 3210.9249 3233.2832 3235.4590 3240.8390 3248.3460 3252.4158 3259.5531 3261.0485 3276.6698 3279.1249 3292.3138 3294.6264 3297.3345 3299.3974 3307.9930 3325.0065 3326.3267 3327.0695 3330.6260 3335.9755 3343.1464 3372.3465 3374.2822 3384.3070 3396.1881 3405.0392 3670.6722 3734.9713 3881.0754 5.1959 4.7806 3.5919 5.0608 4.5129 5.2066 4.6218 5.7271 3.9684 4.6422 3.3860 3.5042 1.8615 1.8990 4.8898 4.4802 3.0495 5.1833 4.7404 3.5439 3.4367 2.7947 4.5791 1.1581 2.6563 3.3209 3.7296 3.5936 2.3042 3.7040 3.8156 3.0118 3.1755 2.3287 2.4867 3.0173 3.2721 2.6710 5.2560 4.9411 3.3865 3.5070 2.6952 2.6515 3.0788 2.8451 2.7829 4.4073 1.1882 3.6863 2.8336 2.3865 5.0908 3.1266 4.8444 3.6026 4.7245 4.7155 3.3331 2.5979 1.6488 2.8243 2.0948 3.4383 3.8460 2.6631 4.0230 1.4899 2.5990 2.9364 1.8948 1.6332 2.8113 2.9835 3.6018 2.7453 1.8777 2.2840 1.8204 1.8569 1.4799 2.3149 1.4015 1.7846 2.3971 1.9235 1.9631 2.8269 2.0493 2.3267 1.8215 2.1547 2.0159 1.8901 2.5873 2.2102 1.5913 1.6363 1.7716 3.8023 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260.03 272.46 292.40 324.93 340.42 366.15 374.36 390.64 412.28 438.49 450.27 457.78 462.12 483.80 514.55 553.57 565.32 587.90 609.27 628.39 656.34 671.58 704.65 713.24 727.05 754.08 772.61 804.44 817.60 833.30 853.00 899.46 926.76 953.09 980.36 1015.57 1034.48 1073.07 1102.99 1155.66 1193.22 1218.72 1227.20 1254.90 1267.36 1274.43 1278.24 1291.28 1308.42 1321.20 1351.37 1370.93 1395.56 1425.06 1434.88 1447.91 1460.86 1497.46 1508.60 1523.04 1533.95 1558.00 1572.34 1578.25 1590.58 1627.80 1629.78 1636.95 1639.52 1648.21 1662.95 1680.76 1695.78 1701.43 1703.62 1729.77 1742.68 1746.93 1749.85 1770.12 1778.37 1788.30 1840.00 1844.49 1852.30 1855.30 1861.02 1902.68 1911.49 1918.18 1936.13 1943.67 1947.30 1955.42 1973.40 1991.86 2007.91 2022.17 2033.76 2037.37 2060.11 2067.50 2083.71 2086.13 2093.83 2103.70 2107.07 2162.12 2171.39 2175.30 2210.96 2213.59 2223.22 2227.25 2235.32 2244.52 2252.25 2253.84 2258.33 2269.87 2274.32 2295.09 2315.78 2323.79 2326.61 2326.92 2346.04 2357.35 2359.26 2359.70 2365.94 2373.75 2380.44 2381.42 2383.24 2390.38 2398.42 2408.62 2425.04 2477.89 2560.91 2610.06 2630.01 2758.10 2775.04 2843.88 4484.47 4501.74 4524.79 4594.72 4598.41 4606.02 4619.80 4651.97 4655.10 4662.84 4673.65 4679.50 4689.77 4691.92 4714.40 4717.93 4736.91 4740.23 4744.13 4747.10 4759.46 4783.94 4785.84 4786.91 4792.03 4799.72 4810.04 4852.05 4854.84 4869.26 4886.36 4899.09 5281.28 5373.79 5584.00 0.635046 0.664405 0.665350 0.571717 -1520.540801 -1520.511441 -1520.510497 -1520.604130 3.140466D-04 MUNgauss RevisionA2.0 retrievium 19-Dec-2020 DUDE CC(=O)Oc1ccccc1C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@H]4CN(CCO4)C C39696627 RHF 6-31G(d) (6D,10F) C1 459.260746 |X|Y|Z| 55.509530 43.676244 126.567383 67.449419 26 6 7 8 21 4 1 |36.858105| |12.715045|36.858105| |7.944751|15.949415|73.516695| |8.179129|14.366477|15.245468|73.516695| |5.224269|8.052531|12.429673|24.575876|36.858105| |4.157355|5.602476|9.042347|14.442594|13.813635|36.858105| |3.229626|4.120309|7.102850|9.352102|7.970507|13.752010|36.858105| |2.981577|3.796591|6.803876|8.186773|6.897868|7.940385|13.765891|36.858105| |3.318471|4.361719|7.978925|9.240878|7.990271|6.896019|7.961151|13.758684|36.858105| |4.350280|6.249789|11.084863|13.986447|13.713192|7.894976|6.835920|7.885195|13.710114|36.858105| |4.566330|6.194938|11.316642|11.647879|7.549907|5.020341|4.442733|5.028609|7.594101|12.674957|36.858105| |4.991817|6.123790|10.055319|11.494876|6.345872|4.409593|3.812167|4.095070|5.506984|8.059322|15.863471|73.516695| |3.805378|4.890043|9.927974|8.393459|5.299404|3.991552|3.751545|4.377622|6.335788|7.802480|14.013033|15.152637|53.358707| |3.463240|4.057431|8.000522|6.721692|3.920591|3.112220|2.930818|3.307921|4.341136|5.029788|7.869596|12.572236|17.796753|36.858105| |2.950250|3.405127|6.983980|5.543629|3.252360|2.711577|2.611031|2.938480|3.673270|3.982443|5.222881|8.158810|10.940792|12.335217|36.858105| |2.861792|3.178187|6.451254|5.076109|2.883869|2.432958|2.318923|2.546951|3.084130|3.377798|4.322037|7.181165|7.974961|8.775049|17.564607|0.500000| |3.158791|3.819436|8.418575|6.073717|3.627455|3.031140|2.909771|3.254599|4.041058|4.395804|5.331750|7.750703|11.016964|7.867332|12.281453|0.242169|36.858105| |3.399182|4.394640|9.632092|7.370790|4.771826|3.854600|3.750581|4.409093|5.991235|6.460585|7.607262|9.505826|17.813188|7.869729|7.935094|0.158357|12.350213|36.858105| |3.710868|4.410265|10.318958|6.481660|3.622849|3.001962|2.763368|2.936759|3.520712|4.065319|4.876281|7.551200|8.510026|6.276769|7.601997|0.204596|12.315172|7.482046|36.858105| |3.676864|4.432158|10.854352|6.444010|3.607350|3.103502|2.844571|2.934957|3.361372|3.814499|4.109840|6.345034|6.486649|4.350986|4.890002|0.130405|7.417726|6.014606|12.524013|36.858105| |2.856740|3.331764|7.485395|5.153245|2.976560|2.679238|2.557549|2.675425|2.979897|3.177532|3.322311|5.157136|5.304408|3.641826|4.365079|0.117027|6.444862|5.093965|7.690688|12.615551|53.358707| |2.738984|3.170233|7.011997|4.945559|2.853666|2.635561|2.521743|2.590355|2.804458|2.962216|2.994084|4.688601|4.596403|3.111240|3.569251|0.095800|4.909273|4.278684|5.679105|9.157704|25.694978|0.500000| |2.653837|2.991339|6.520393|4.629999|2.632413|2.373995|2.266866|2.368304|2.631258|2.803971|2.992301|4.764823|4.768576|3.444772|4.235533|0.119493|5.762121|4.339699|7.020643|9.184493|25.685247|0.328398|0.500000| |2.582465|3.057282|6.675154|4.942387|2.979349|2.703733|2.675404|2.907860|3.267951|3.320547|3.438945|5.193806|5.731190|3.849370|4.827027|0.121533|7.478581|6.017097|6.518544|7.579954|17.217789|0.254603|0.255902|36.858105| |2.593683|3.047304|6.536580|4.952827|2.981655|2.630262|2.600806|2.899980|3.400762|3.471452|3.841007|5.786585|6.955423|4.983485|7.335778|0.174460|12.388544|7.410455|7.618845|6.473040|10.442217|0.157473|0.195281|12.505805|36.858105| |2.431634|2.767882|5.491351|4.693062|2.822729|2.439108|2.430522|2.796402|3.425902|3.459528|4.232274|6.685251|8.086847|7.576725|12.461765|0.247086|7.366498|6.092853|4.907999|3.719568|4.918576|0.085062|0.098281|4.264023|6.386097|36.858105| |2.303109|2.661901|5.273022|4.615518|2.862115|2.520112|2.580789|3.050213|3.724511|3.557288|4.111646|6.280700|7.677325|5.999568|7.954183|0.164522|6.573464|6.306281|4.328816|3.524225|4.807559|0.084642|0.093658|4.414869|6.378132|15.775962|73.516695| |2.196744|2.420998|4.692227|4.110821|2.421353|2.119691|2.104983|2.378195|2.831373|2.874759|3.473357|5.801845|6.057590|5.840714|7.887373|0.211684|5.108256|4.317833|3.963027|3.097265|4.124705|0.072820|0.084896|3.418704|4.703275|14.242296|15.095168|53.358707| |1.900916|2.075884|3.960366|3.587724|2.127157|1.904668|1.921270|2.173958|2.523719|2.491920|2.888155|4.868533|4.766735|4.197706|5.006833|0.134218|3.805958|3.439652|3.075714|2.549301|3.472745|0.062873|0.071455|2.893711|3.738279|7.739679|12.005789|17.864031|36.858105| |1.810120|1.938364|3.626464|3.367752|1.969877|1.767378|1.770986|1.979455|2.276685|2.274071|2.642098|4.614079|4.172790|3.706294|4.029856|0.112252|3.112312|2.885218|2.658432|2.226658|2.977141|0.054624|0.061408|2.398027|2.962404|5.266160|8.203705|10.673497|12.538381|36.858105| |1.900032|2.035951|3.770181|3.570391|2.091889|1.864674|1.866059|2.095062|2.432803|2.435698|2.866454|5.073878|4.472133|4.007514|4.075025|0.110751|3.114680|2.979831|2.664111|2.222846|2.917996|0.053660|0.059531|2.337554|2.865208|5.165341|8.103675|9.593660|8.886870|17.503072|0.500000| |1.586860|1.689608|3.139678|2.960600|1.735898|1.584887|1.602678|1.783259|2.006079|1.975248|2.225664|3.886985|3.420680|2.888199|3.093598|0.085646|2.548020|2.409984|2.216099|1.916295|2.597529|0.048375|0.053583|2.091396|2.498057|3.876471|6.517030|6.832370|7.524826|12.512072|0.247688|36.858105| |1.511414|1.586998|2.916031|2.785463|1.616105|1.479051|1.486576|1.635471|1.825868|1.815307|2.041666|3.635623|3.062338|2.580410|2.674765|0.075152|2.229912|2.124658|1.995209|1.737818|2.332187|0.043743|0.048181|1.841884|2.156163|3.156151|5.256344|5.344894|5.026210|7.847391|0.196991|13.152315|53.358707| |1.520323|1.579382|2.904715|2.741606|1.570697|1.431733|1.424153|1.550651|1.731423|1.748262|1.980886|3.559057|2.968934|2.541882|2.657563|0.077032|2.206479|2.058727|2.016027|1.748192|2.339396|0.043804|0.048825|1.819388|2.127120|3.030662|4.895880|5.198521|4.545766|6.766780|0.164686|7.984001|17.880654|36.858105| |1.713907|1.778355|3.280538|3.058515|1.740145|1.564250|1.540954|1.677868|1.900603|1.948799|2.261342|4.096818|3.428875|3.053291|3.190928|0.094827|2.548650|2.337373|2.334854|1.976676|2.609058|0.048348|0.054594|2.014624|2.398037|3.585190|5.524133|6.435778|5.225268|8.110356|0.202122|6.775689|10.698107|12.552300|36.858105| |1.824175|1.923555|3.601362|3.291645|1.890364|1.689432|1.669832|1.836719|2.103933|2.148153|2.515941|4.464151|3.945878|3.592258|3.959522|0.118136|3.041980|2.724703|2.699801|2.242755|2.983623|0.054604|0.062532|2.343330|2.879904|4.729032|7.005358|9.584646|8.119808|13.540849|0.259410|7.915428|9.260993|7.915366|13.532025|73.516695| |1.361211|1.425768|2.610728|2.515654|1.462278|1.354136|1.368897|1.499798|1.649895|1.626864|1.795097|3.187907|2.657071|2.179175|2.251574|0.062841|1.936999|1.865455|1.747279|1.550403|2.096231|0.039689|0.043251|1.654428|1.899325|2.615877|4.482876|4.222468|3.859414|5.096028|0.132123|7.916699|17.920048|7.904407|5.099687|8.105698|36.858105| |17.601572|8.939211|10.783746|13.342439|4.891817|4.180178|3.210161|2.872045|3.081306|3.902642|3.864639|7.400566|4.406783|2.936312|2.547911|0.068557|2.725847|2.953980|3.115366|3.168139|3.474578|0.069219|0.065972|2.327646|2.305974|2.159177|3.683188|2.674961|1.728240|1.653204|0.048153|1.466526|1.909346|1.407191|1.570218|2.950418|1.273573|0.500000| |17.569077|9.047374|11.206515|12.807740|4.865201|3.824762|3.049599|2.881398|3.262445|4.274559|4.759302|10.100283|5.287920|3.654344|3.008103|0.081465|3.088232|3.310848|3.539770|3.333830|3.592559|0.069411|0.068965|2.433326|2.509707|2.485313|4.140918|3.091656|1.963452|1.893558|0.055739|1.652181|2.155858|1.596084|1.810906|3.401755|1.420159|0.302171|0.500000| |17.644053|8.964936|13.200404|10.436197|4.262977|3.521441|2.845152|2.667305|2.957194|3.740218|4.010141|7.591255|4.845311|3.347584|2.952511|0.081366|3.188634|3.279538|3.927439|3.958528|4.120116|0.080716|0.079051|2.651220|2.642338|2.407317|4.013388|2.977854|1.884404|1.790319|0.051719|1.568223|2.032841|1.514634|1.712252|3.244026|1.344229|0.297946|0.298496|0.500000| |4.232910|5.364241|8.345279|13.368920|8.988833|17.742064|8.865850|5.636022|4.966169|5.643957|4.104471|6.745845|4.575493|2.735960|2.418538|0.061424|2.688112|3.265168|2.735085|2.876633|3.393505|0.069061|0.061901|2.462738|2.368272|2.175561|3.957674|2.612557|1.733832|1.621576|0.047332|1.463325|1.871795|1.338466|1.458167|2.778850|1.264795|0.125076|0.105697|0.099307|0.500000| |2.842876|3.469334|5.983267|7.569281|5.666896|8.936774|17.730061|8.910916|5.653001|4.933749|3.552763|5.600158|4.228599|2.519297|2.291173|0.057248|2.537708|3.149393|2.427817|2.529515|3.162190|0.064480|0.057640|2.423299|2.328017|2.161898|4.086869|2.582975|1.754238|1.624656|0.047326|1.486912|1.884564|1.326124|1.423391|2.727040|1.285189|0.080066|0.074472|0.070582|0.213909|0.500000| |2.553450|3.134424|5.667848|6.499953|4.966368|5.644551|8.907644|17.733838|8.923535|5.627066|4.104441|6.122046|5.146527|2.976288|2.716979|0.065704|2.973616|3.897499|2.644465|2.643647|3.381805|0.067139|0.061595|2.749917|2.741470|2.671337|5.284712|3.118557|2.136278|1.941518|0.056877|1.771451|2.204559|1.523489|1.631147|3.172902|1.496822|0.068694|0.068987|0.064533|0.123808|0.214257|0.500000| |2.948679|3.725478|6.948825|7.455523|5.672721|4.964590|5.658900|8.931513|17.723841|8.941816|7.072063|9.235863|9.257437|4.716237|4.029580|0.091637|4.288668|6.444155|3.522775|3.255806|4.028671|0.076287|0.073313|3.357065|3.635636|3.937688|7.916614|4.343767|2.859160|2.541660|0.075862|2.227101|2.721970|1.873736|2.054852|4.090497|1.798072|0.075492|0.081838|0.074525|0.107760|0.124267|0.215572|0.500000| |3.937586|4.441582|8.598249|7.052780|3.868165|3.038733|2.777570|3.023193|3.842512|4.661023|7.244253|13.453873|12.368640|17.608660|8.713911|0.224451|6.477357|6.116395|6.350286|4.366655|4.783948|0.084102|0.093699|3.507957|4.314228|5.612352|8.076240|6.584987|3.612515|3.338216|0.099796|2.643588|3.301435|2.442401|2.961233|6.004513|2.057635|0.090188|0.118585|0.106990|0.075661|0.066728|0.074987|0.110368|0.500000| |3.080921|3.505426|6.606865|6.052266|3.564092|2.896997|2.779349|3.172255|4.119490|4.555549|6.745851|11.712811|12.333306|17.611273|8.663631|0.191517|5.706799|5.965609|4.648007|3.496348|4.156757|0.074125|0.081173|3.271479|4.145570|7.413940|10.609440|8.547197|4.642172|4.251385|0.134760|3.232337|3.933359|2.801586|3.397651|7.091062|2.402139|0.074220|0.091986|0.081757|0.070929|0.066925|0.080676|0.128365|0.303848|0.500000| |2.897191|3.630448|7.559639|6.357819|4.232614|3.614456|3.720921|4.603370|6.158443|5.719429|6.114105|8.023138|12.322698|6.350055|6.756767|0.137226|8.815723|17.633097|5.507722|4.772916|6.107492|0.107782|0.107986|5.766493|7.139220|6.361367|13.670663|6.000289|3.646398|2.982911|0.085255|2.520337|2.977694|2.083679|2.329585|4.861208|1.931029|0.071799|0.078901|0.077341|0.084793|0.087889|0.118133|0.204695|0.135955|0.150857|0.500000| |3.716841|5.080989|11.852522|8.444667|5.630649|4.528507|4.312712|4.910591|6.455569|7.255250|7.220397|9.043663|12.418200|5.843412|5.683932|0.126656|8.632685|17.652655|7.078103|6.807135|7.454949|0.132420|0.123158|6.115860|6.262417|4.549892|8.402684|4.738992|2.883202|2.480234|0.070962|2.120917|2.581999|1.846165|2.072966|4.210437|1.687735|0.090101|0.096985|0.099073|0.105278|0.099009|0.116487|0.172404|0.141512|0.129375|0.301178|0.500000| |4.573827|5.492190|13.116576|7.646309|4.089335|3.254209|2.902756|3.041508|3.701152|4.537532|5.780695|9.226876|9.489159|7.001528|6.902623|0.186370|8.715860|6.994453|17.633455|9.075185|7.651481|0.127530|0.143807|4.892707|5.513259|4.475015|6.983204|5.059745|2.909033|2.590704|0.073557|2.156364|2.680086|1.992904|2.322867|4.691448|1.721695|0.102028|0.122144|0.134770|0.082410|0.070062|0.074670|0.100585|0.221924|0.139805|0.140376|0.189246|0.500000| |3.309074|3.697624|8.119239|5.510508|3.032300|2.572949|2.388098|2.523232|2.959263|3.340126|3.978137|6.486508|6.698802|5.468087|7.070620|0.226975|8.797818|5.484328|17.501727|8.914329|9.406716|0.144244|0.205393|5.704945|6.841730|4.740916|7.161382|5.520910|3.127934|2.719834|0.074491|2.259669|2.777698|2.096173|2.449957|5.053682|1.780313|0.078154|0.089108|0.099338|0.066171|0.059230|0.064157|0.083158|0.159343|0.118338|0.123306|0.141134|0.303278|0.500000| |3.983565|5.145567|13.467643|7.494858|4.298455|3.687007|3.336075|3.400781|3.878308|4.460061|4.528077|6.757972|6.852555|4.226599|4.446146|0.113429|6.613411|6.527214|8.753964|17.680531|12.368907|0.224148|0.180744|6.882354|5.665974|3.495519|6.087434|3.928953|2.416449|2.121863|0.059469|1.840476|2.276547|1.666052|1.868726|3.741835|1.500263|0.096048|0.097831|0.115522|0.093919|0.081332|0.083464|0.101104|0.115931|0.095417|0.142435|0.238922|0.215762|0.173354|0.500000| |3.818069|4.354937|10.331737|6.161542|3.307393|2.881807|2.601716|2.619693|2.936277|3.358327|3.600704|5.806642|5.398918|3.755565|4.079194|0.113974|5.430562|4.585354|8.786664|17.633937|12.347341|0.221949|0.224755|5.573955|4.885407|3.180113|5.303441|3.748680|2.300229|2.050619|0.056843|1.779231|2.223007|1.657755|1.872234|3.722500|1.463269|0.091516|0.094539|0.119720|0.076134|0.065107|0.065728|0.078228|0.109119|0.085993|0.105060|0.141387|0.214145|0.216863|0.302433|0.500000| |2.673017|3.253810|7.140680|5.360086|3.332300|3.062470|3.075440|3.369321|3.750247|3.725182|3.676521|5.412180|5.998300|3.771108|4.419107|0.107722|6.713989|6.593838|5.752082|6.942911|12.435716|0.224417|0.181260|17.625094|8.747836|3.962679|7.581963|4.296237|2.716802|2.276315|0.062493|2.000654|2.408210|1.730949|1.904269|3.898429|1.597978|0.067427|0.069345|0.074950|0.076503|0.076931|0.088238|0.105649|0.094624|0.089699|0.181287|0.204910|0.128963|0.132606|0.206809|0.142836|0.500000| |2.264609|2.617878|5.542189|4.291006|2.576277|2.392389|2.397994|2.592468|2.837445|2.828385|2.894690|4.469808|4.688777|3.233259|4.005338|0.103971|5.453151|4.585936|4.894810|5.570406|12.362488|0.222884|0.224464|17.624113|8.768963|3.764234|7.023830|4.274361|2.748262|2.279457|0.060993|2.023668|2.422960|1.758330|1.922245|3.961862|1.613766|0.057507|0.059530|0.064683|0.061241|0.061426|0.069457|0.081371|0.082570|0.078845|0.128291|0.128044|0.107822|0.128160|0.142233|0.126411|0.301317|0.500000| |2.416517|2.749312|5.784181|4.437712|2.608397|2.316290|2.275377|2.497679|2.881529|2.969689|3.325735|5.213100|5.813271|4.503244|6.816868|0.185536|8.803373|5.447135|6.840897|5.692904|9.422986|0.144470|0.206665|8.904182|17.493721|6.100594|10.000193|6.667108|3.872193|3.061282|0.080351|2.574978|3.022322|2.225496|2.522784|5.441573|1.948743|0.059814|0.065427|0.069325|0.058809|0.057229|0.065998|0.085075|0.112463|0.106592|0.144724|0.131553|0.139562|0.201433|0.131554|0.128581|0.173107|0.215330|0.500000| |2.365032|2.771737|5.775277|4.644563|2.857550|2.560274|2.598557|2.968982|3.469142|3.383628|3.672253|5.511161|6.613310|4.673954|6.601261|0.151046|8.786291|6.895153|5.518740|4.858056|7.615347|0.126925|0.143798|8.981553|17.645180|7.005437|14.502551|6.794588|4.122312|3.148396|0.084104|2.676344|3.083569|2.194186|2.439563|5.259895|2.001352|0.059134|0.064128|0.065927|0.063590|0.064895|0.079674|0.106656|0.108783|0.113751|0.218357|0.157301|0.122954|0.139879|0.126882|0.107479|0.212647|0.212633|0.303886|0.500000| |2.240142|2.425227|4.678784|4.064896|2.345356|2.043333|2.000850|2.223235|2.631013|2.736815|3.348607|5.759398|5.697189|5.755197|7.508454|0.238777|4.801694|3.951791|4.000220|3.077470|4.030531|0.071148|0.084314|3.210447|4.302217|9.375616|10.833584|26.052533|9.132574|7.422173|0.186270|4.740062|5.340549|4.043091|5.374500|14.641587|3.059905|0.055389|0.064813|0.062533|0.051837|0.050197|0.059017|0.080530|0.142018|0.169184|0.107340|0.090597|0.105975|0.118110|0.078501|0.077453|0.081602|0.081864|0.128510|0.119950|0.500000| |1.879953|2.076296|3.952225|3.639685|2.195184|1.979012|2.025853|2.329315|2.705112|2.602142|2.963901|4.915660|4.879831|4.089216|4.700070|0.118865|3.739754|3.555047|2.957190|2.496069|3.412387|0.062233|0.069052|2.902691|3.702151|7.426543|13.784873|12.560519|17.645910|8.843195|0.215248|6.734412|6.226512|3.918088|4.255906|10.282244|3.697424|0.047720|0.053763|0.051309|0.049693|0.051373|0.064329|0.087000|0.095565|0.126938|0.108894|0.082555|0.077840|0.081324|0.066887|0.062057|0.077292|0.076641|0.102421|0.117785|0.181233|0.500000| |1.775815|1.929674|3.698867|3.315939|1.958240|1.771830|1.789363|2.006480|2.290351|2.258180|2.565509|4.314578|4.186106|3.582598|4.390696|0.121634|3.537657|3.125511|2.914911|2.463956|3.441933|0.062547|0.071825|2.875105|3.670746|6.285719|10.204351|12.427050|17.558862|8.887696|0.174121|6.978017|6.410647|4.406349|4.814182|12.803578|3.776997|0.045050|0.050545|0.049285|0.045112|0.045736|0.055026|0.071145|0.087859|0.105303|0.091925|0.074210|0.075301|0.083762|0.064320|0.062111|0.073888|0.077640|0.109266|0.112754|0.205098|0.301468|0.500000| |1.562241|1.674736|3.104338|2.964318|1.756248|1.613201|1.647733|1.848730|2.072009|2.008270|2.235574|3.875103|3.416875|2.814218|2.969010|0.080033|2.489964|2.413927|2.142669|1.870757|2.540123|0.047523|0.051906|2.066025|2.448452|3.759826|6.624035|6.246687|6.771041|8.887347|0.217578|17.559898|12.508941|5.735078|5.041942|10.159280|7.286398|0.040266|0.045093|0.042616|0.041229|0.042537|0.051473|0.064520|0.070680|0.087984|0.071289|0.059104|0.057967|0.059813|0.050425|0.048026|0.055541|0.055579|0.068877|0.073955|0.115557|0.197366|0.169645|0.500000| |1.516787|1.614228|3.018060|2.812892|1.647376|1.512099|1.530359|1.695459|1.892504|1.861491|2.077524|3.600879|3.204935|2.678078|2.952363|0.082643|2.481017|2.310054|2.166751|1.890201|2.601127|0.048516|0.054078|2.099866|2.498538|3.684430|6.244125|6.421340|7.020527|8.864074|0.174120|17.397066|12.258776|7.065524|5.858227|12.477244|7.008688|0.039001|0.043562|0.041887|0.038912|0.039598|0.046892|0.058033|0.068405|0.080979|0.067195|0.056812|0.057856|0.061923|0.050137|0.048836|0.055328|0.057154|0.072637|0.074556|0.124076|0.170563|0.215364|0.300542|0.500000| |1.457028|1.500790|2.739153|2.612058|1.488595|1.361512|1.351144|1.461663|1.621929|1.642813|1.851582|3.358740|2.731285|2.315113|2.372970|0.068722|1.999449|1.883408|1.853325|1.620870|2.158310|0.040653|0.044981|1.663481|1.917690|2.635593|4.293809|4.361189|3.651647|5.038482|0.132800|5.734668|12.492075|17.566920|8.913282|10.164397|7.263710|0.037626|0.042626|0.040289|0.035518|0.035060|0.039872|0.048404|0.062610|0.070678|0.052688|0.047371|0.051310|0.053408|0.043070|0.042991|0.044180|0.044657|0.055443|0.054592|0.094403|0.090413|0.097961|0.128082|0.143416|0.500000| |1.454675|1.511400|2.795000|2.611697|1.495924|1.369629|1.363818|1.480767|1.644044|1.657031|1.862721|3.319816|2.803684|2.379187|2.545569|0.074372|2.145280|1.978616|1.967662|1.718837|2.327220|0.043644|0.048915|1.810122|2.108010|2.900888|4.711959|4.945794|4.340298|5.850543|0.134929|7.064043|12.253335|17.409994|8.880585|12.473820|7.001008|0.037456|0.042137|0.040473|0.035657|0.035387|0.040493|0.049268|0.063544|0.071370|0.055704|0.049499|0.053486|0.057286|0.045278|0.045375|0.047526|0.049043|0.061993|0.060403|0.106587|0.103166|0.124618|0.143421|0.207911|0.300715|0.500000| |1.788117|1.849004|3.377675|3.199317|1.815687|1.624301|1.595163|1.737129|1.977092|2.037828|2.385967|4.392731|3.568991|3.198287|3.195304|0.093612|2.537547|2.373111|2.332378|1.968910|2.561310|0.047542|0.053134|1.969860|2.333675|3.520709|5.439370|6.110606|4.757506|7.210027|0.216735|5.880497|9.562233|8.878373|17.525681|16.536456|4.727575|0.045476|0.053003|0.049277|0.042008|0.040814|0.046743|0.059344|0.086837|0.101556|0.065379|0.058483|0.065524|0.067166|0.052109|0.051830|0.052218|0.051760|0.067095|0.065750|0.140284|0.112596|0.116152|0.131774|0.134217|0.217582|0.173885|0.500000| |1.701989|1.747979|3.226577|2.978922|1.677694|1.508290|1.475743|1.592142|1.795611|1.858780|2.154084|3.922159|3.249263|2.892163|3.045447|0.093003|2.464418|2.227855|2.312761|1.962486|2.588161|0.048010|0.054655|1.969060|2.324294|3.288474|5.035126|5.738516|4.378576|5.856331|0.147562|5.052482|7.697315|8.830562|17.614095|16.882936|4.184195|0.043286|0.049923|0.047629|0.039278|0.037935|0.042826|0.053346|0.079742|0.087103|0.060935|0.055375|0.063967|0.068462|0.051136|0.052160|0.051361|0.052301|0.068760|0.064675|0.137567|0.100074|0.116838|0.110510|0.131726|0.209819|0.217091|0.299978|0.500000| |1.303852|1.365591|2.511640|2.399778|1.394133|1.295759|1.310806|1.432125|1.567665|1.544435|1.694258|2.990859|2.517299|2.053631|2.158378|0.060583|1.877829|1.792253|1.698798|1.516811|2.070525|0.039276|0.042929|1.635327|1.869591|2.504974|4.309421|4.028638|3.686052|4.592941|0.113813|6.974471|12.198241|6.964045|4.595561|7.572810|17.429018|0.033924|0.037589|0.035922|0.033697|0.034283|0.039767|0.047307|0.053937|0.061924|0.051584|0.045206|0.046150|0.048339|0.040629|0.039830|0.043671|0.044671|0.053715|0.054770|0.081091|0.097303|0.104944|0.174560|0.204474|0.174052|0.204131|0.113294|0.109686|0.500000| |1.317439|1.369408|2.492505|2.418404|1.397528|1.296095|1.305380|1.420695|1.556634|1.543389|1.700358|3.047746|2.487211|2.035416|2.074293|0.058187|1.795118|1.734714|1.640680|1.461485|1.965187|0.037339|0.040555|1.536202|1.747825|2.352911|4.012406|3.742213|3.270365|4.231343|0.114183|5.705880|12.473448|7.208773|4.743404|7.113118|17.584100|0.034337|0.038299|0.036135|0.033767|0.034117|0.039297|0.046768|0.054037|0.062201|0.049499|0.043901|0.045218|0.046468|0.039338|0.038549|0.041307|0.041561|0.049751|0.050696|0.076549|0.086895|0.088333|0.147331|0.142497|0.221555|0.173103|0.126804|0.111985|0.300089|0.500000| 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