Version2.0 2020-07-26T07:30:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@H](c1ccc2c(c1)OCCO2)NC(=O)CN3C(=O)[C@@](NC3=O)(C)c4ccc5ccccc5c4 C24106745 RHF 6-31G(d) (6D,7F) CC(C)[C@H](c1ccc2c(c1)OCCO2)NC(=O)CN3C(=O)[C@@](NC3=O)(C)c4ccc5ccccc5c4 C01[X(C28H29N3O5)] 189 C1 598 O=C(CN1C(=O)N[C@](C1=O)(C)c1ccc2c(c1)cccc2)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C O=C(CN1C(=O)N[C@](C1=O)(C)c1ccc2c(c1)cccc2)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)c2ccc3ccccc3c2)c4ccc5OCCOc5c4 InChIKey=NLEGHZMAOJCUHZ-LEAFIULHSA-N InChI=1S/C28H29N3O5/c1-17(2)25(20-9-11-22-23(15-20)36-13-12-35-22)29-24(32)16-31-26(33)28(3,30-27(31)34)21-10-8-18-6-4-5-7-19(18)14-21/h4-11,14-15,17,25H,12-13,16H2,1-3H3,(H,29,32)(H,30,34)/t25-,28-/m1/s1 InChI=1/C28H29N3O5/c1-17(2)25(20-9-11-22-23(15-20)36-13-12-35-22)29-24(32)16-31-26(33)28(3,30-27(31)34)21-10-8-18-6-4-5-7-19(18)14-21/h4-11,14-15,17,25H,12-13,16H2,1-3H3,(H,29,32)(H,30,34)/t25-,28-/m1/s1/f/h29-30H CC(C)[C@H](c1ccc2c(c1)OCCO2)NC(=O)CN3C(=O)[C@@](NC3=O)(C)c4ccc5ccccc5c4 C01[X(C28H29N3O5)] 189 C01 598 O=C(CN1C(=O)N[C@](C1=O)(C)c1ccc2c(c1)cccc2)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C O=C(N[C@@H]([C]1[CH][CH][C]2[C]([CH]1)OCCO2)C(C)C)CN1C(=O)N[C@](C1=O)(C)[C]1[CH]=[CH][C]2[C]([CH]=1)[CH]=[CH][CH]=[CH]2 CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)C2=C[C]3C=CC=C[C]3C=C2)[C]4[CH][CH][C]5OCCO[C]5[CH]4 InChIKey=NLEGHZMAOJCUHZ-LEAFIULHSA-N InChI=1S/C28H29N3O5/c1-17(2)25(20-9-11-22-23(15-20)36-13-12-35-22)29-24(32)16-31-26(33)28(3,30-27(31)34)21-10-8-18-6-4-5-7-19(18)14-21/h4-11,14-15,17,25H,12-13,16H2,1-3H3,(H,29,32)(H,30,34)/t25-,28-/m1/s1 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1558.59 1568.09 1581.21 1599.68 1614.95 1628.43 1680.18 1696.94 1701.13 1723.35 1730.15 1740.31 1762.68 1767.69 1787.38 1795.30 1802.54 1833.65 1836.77 1858.47 1870.88 1874.93 1880.50 1904.50 1938.97 1950.32 1959.71 1997.77 2007.76 2008.94 2029.24 2033.85 2052.02 2095.01 2097.45 2127.90 2129.82 2154.40 2165.77 2176.36 2184.95 2195.37 2213.95 2231.10 2243.64 2247.67 2252.48 2253.88 2266.39 2297.59 2300.10 2311.98 2323.64 2349.07 2354.94 2363.51 2364.14 2365.26 2377.74 2380.72 2385.83 2388.21 2414.47 2433.09 2460.67 2563.51 2570.87 2606.39 2625.18 2660.68 2806.83 2863.18 2949.05 4604.67 4616.08 4634.40 4637.30 4647.09 4657.25 4688.13 4695.06 4700.10 4706.24 4708.90 4718.58 4737.58 4761.08 4762.50 4781.37 4786.71 4823.63 4831.45 4839.05 4852.23 4853.52 4872.55 4872.73 4883.43 4886.17 4906.97 5582.33 5584.37 0.572477 0.602435 0.603380 0.507102 -1614.373548 -1614.343589 -1614.342645 -1614.438923 3.229180D-04 MUNgauss RevisionA2.0 retrievium 26-Jul-2020 DUDE CC(C)[C@H](c1ccc2c(c1)OCCO2)NC(=O)CN3C(=O)[C@@](NC3=O)(C)c4ccc5ccccc5c4 C24106745 RHF 6-31G(d) (6D,10F) C1 487.210721 |X|Y|Z| 47.841873 33.857384 168.042079 64.807689 29 6 7 8 24 3 2 |36.858105| |12.439467|36.858105| |7.558520|12.448617|36.858105| |7.503383|12.291921|7.339440|36.858105| |7.110548|8.981578|5.475505|17.607071|0.500000| |6.086635|7.323835|5.958960|12.518936|0.250201|36.858105| |4.730168|5.689144|5.763500|7.443448|0.155726|13.659626|36.858105| |3.793052|4.136338|4.233398|4.978453|0.117025|7.887200|13.786619|36.858105| |3.601055|3.668659|3.534960|4.410266|0.111658|6.807947|7.938896|13.770582|36.858105| |4.095310|4.009175|3.574164|5.016374|0.134913|7.888355|6.897059|7.967033|13.732483|36.858105| |5.362582|5.378231|4.366302|7.589752|0.208119|13.741953|7.988460|6.909421|7.935537|13.758331|36.858105| |3.499664|3.291216|2.925153|3.916254|0.111356|5.238296|4.626004|5.229821|7.961653|14.044658|8.083239|73.516695| |2.820412|2.706057|2.501415|3.135716|0.087500|4.030135|3.890650|4.684812|7.074691|8.189408|5.307975|24.084856|36.858105| |2.742804|2.645826|2.546824|2.975661|0.080030|3.867350|4.043081|5.302290|8.191377|7.067941|4.678635|14.176227|12.582073|36.858105| |2.922146|2.926161|2.881322|3.356069|0.087138|4.584978|5.248866|8.065107|14.039402|7.952370|5.217118|12.073125|7.973914|13.547758|73.516695| |4.972321|7.650427|6.183435|13.002599|0.257991|7.812057|6.397068|4.445215|3.800030|4.043450|5.355687|5.798660|2.754206|2.635894|5.353797|53.358707| |4.213854|5.931958|4.837894|7.736206|0.205337|5.191471|4.411512|3.400272|3.041850|3.264805|4.132191|4.946136|2.392819|2.263979|4.473974|19.256156|36.858105| |4.381707|5.820196|4.450735|6.767651|0.207424|4.519364|3.729618|2.975727|2.752821|3.026871|3.835322|4.722163|2.270228|2.125863|4.102795|11.518406|15.868676|73.516695| |3.185608|4.158360|3.812896|4.998806|0.131500|3.994892|3.725928|3.024084|2.691020|2.787678|3.311829|4.298319|2.151750|2.056165|4.079529|10.719980|12.452968|14.181178|36.858105| |2.781124|3.440160|3.135506|3.889748|0.108253|3.174442|2.937937|2.479900|2.271666|2.375657|2.771024|3.776676|1.908185|1.812058|3.521149|7.106854|7.809801|12.610745|13.286629|53.358707| |2.659899|3.244946|3.021204|3.418567|0.094689|2.786003|2.600395|2.214389|2.031911|2.115991|2.446611|3.393291|1.721233|1.649212|3.180629|5.858037|5.978899|10.829702|7.732348|18.947593|36.858105| |2.723887|3.366832|3.257541|3.385489|0.091010|2.753506|2.614520|2.215038|2.007108|2.066764|2.381448|3.293442|1.673052|1.623195|3.143919|5.739757|5.513062|9.745927|6.640406|11.380542|16.022906|73.516695| |2.344221|2.728318|2.506795|2.861293|0.081860|2.394007|2.217367|1.933650|1.813391|1.905497|2.176361|3.120555|1.592363|1.513256|2.875205|4.601641|4.422434|8.583080|5.133332|11.092207|12.417572|13.868732|36.858105| |2.307202|2.662030|2.401746|2.915067|0.085108|2.475931|2.271762|1.994600|1.890975|2.003677|2.286352|3.300697|1.685352|1.581750|2.997983|4.703477|4.525286|8.637977|5.340001|11.767421|8.298236|9.789105|13.108396|53.358707| |2.551939|3.020620|2.693294|3.468057|0.101063|2.918264|2.658287|2.300135|2.164134|2.297881|2.656470|3.731134|1.891661|1.767689|3.386650|5.895300|5.977531|10.680280|7.716867|18.671187|8.343771|9.891463|8.120339|19.087188|36.858105| |2.523401|2.941028|2.593995|3.510708|0.104196|3.044904|2.749993|2.406233|2.295664|2.460274|2.833171|4.019232|2.039245|1.878928|3.591661|5.861545|5.572838|9.642548|6.675168|11.310513|5.572487|7.515141|5.446671|11.302996|15.991665|73.516695| |2.459091|2.797892|2.519425|2.837270|0.082815|2.341683|2.132396|1.859882|1.761356|1.872725|2.152780|3.091357|1.565613|1.483681|2.791004|4.344456|4.090149|8.629398|4.190095|7.693365|7.631541|11.087550|12.388956|10.523957|5.708456|7.772127|36.858105| |2.003251|2.292852|2.172786|2.371197|0.066789|2.047501|1.939683|1.721061|1.614083|1.674022|1.873991|2.758914|1.427348|1.367772|2.594537|3.748339|3.380110|6.271331|3.969572|7.524098|7.529086|11.010974|12.463383|10.439502|5.443120|7.358570|7.493501|36.858105| |1.937308|2.208480|2.138257|2.219966|0.061708|1.923172|1.840850|1.636700|1.527471|1.572743|1.752072|2.589018|1.342856|1.298821|2.464399|3.459884|3.033474|5.604232|3.458493|6.002230|6.098005|10.816085|7.472525|6.823936|4.055944|5.784475|6.154771|13.364734|36.858105| |1.710147|1.922227|1.884757|1.929040|0.053430|1.705358|1.650058|1.486426|1.391494|1.423536|1.565955|2.356923|1.233323|1.197870|2.266769|2.965410|2.520377|4.588879|2.852277|4.705475|4.340362|7.818188|5.010686|5.290660|3.262510|4.870755|4.373722|7.879059|14.054391|36.858105| |1.569205|1.749745|1.709133|1.782377|0.049594|1.598376|1.550434|1.410507|1.328377|1.357719|1.481737|2.261384|1.190974|1.153718|2.177394|2.732029|2.300371|4.152918|2.623234|4.306633|3.722988|6.389868|4.382006|5.071632|3.117974|4.765395|3.736549|6.756427|7.877807|13.409488|36.858105| |1.410896|1.557023|1.533124|1.579948|0.043847|1.435581|1.402272|1.288222|1.216718|1.237913|1.338578|2.071380|1.098170|1.067838|2.009674|2.392694|1.973391|3.542845|2.218544|3.511455|2.932199|5.127603|3.303862|3.995978|2.548643|4.015857|2.943877|4.494963|5.115412|7.654556|13.426316|36.858105| |1.315814|1.443270|1.417316|1.476865|0.041107|1.355481|1.326029|1.227446|1.165199|1.184783|1.273147|1.992307|1.061709|1.030640|1.934474|2.227041|1.822141|3.257828|2.045576|3.205247|2.587088|4.447016|2.907780|3.687236|2.377562|3.826673|2.591859|3.771929|3.942702|5.115978|7.893009|14.016126|36.858105| |1.335515|1.465726|1.427093|1.518564|0.042495|1.396625|1.361394|1.261686|1.202061|1.225963|1.317280|2.065988|1.101678|1.063833|1.995159|2.298249|1.889327|3.373614|2.137683|3.385660|2.671565|4.461780|3.059949|4.039350|2.582520|4.191773|2.669113|3.935113|3.786663|4.519008|6.814789|7.916504|13.457405|36.858105| |1.460087|1.614229|1.557786|1.686110|0.047389|1.537434|1.488757|1.370148|1.304120|1.336333|1.446197|2.245404|1.191110|1.144672|2.151138|2.577924|2.154692|3.858652|2.472877|4.041115|3.194172|5.172397|3.805829|5.097020|3.148267|5.023978|3.183498|5.112475|4.523902|5.113629|7.824882|6.838838|7.916760|14.016551|36.858105| |1.602838|1.790071|1.726360|1.856741|0.052076|1.666678|1.607477|1.462854|1.383446|1.420347|1.552210|2.370226|1.247870|1.200565|2.264486|2.866026|2.439416|4.399860|2.825182|4.773918|3.987576|6.434487|4.959043|6.121484|3.625925|5.527578|3.979207|7.851075|6.823994|7.846150|13.549884|7.820517|6.811312|7.889082|13.420394|36.858105| |1.797892|2.030250|1.928645|2.129061|0.060152|1.881302|1.793685|1.614367|1.524946|1.577374|1.744118|2.620451|1.368129|1.308149|2.473122|3.335330|2.928177|5.333564|3.453457|6.255465|5.332443|7.950586|7.546516|9.209257|4.916933|7.082590|5.284079|14.012184|7.940183|6.859864|7.807277|5.101194|4.515693|5.120687|7.675874|13.396903|36.858105| |17.537394|8.747062|5.482884|6.934433|0.217041|5.586172|4.180380|3.458102|3.421820|4.068132|5.422097|6.426174|2.864957|2.696197|4.986001|6.374515|4.166610|8.078187|3.126005|3.797308|2.652835|4.726603|2.387964|3.242150|2.626130|4.662834|2.540715|2.021254|1.933892|1.703028|1.569981|1.408837|1.317819|1.343973|1.474173|1.614595|1.820209|0.500000| |17.552007|8.738152|6.813207|6.662330|0.169373|6.602224|5.258448|4.344242|4.192890|4.778563|6.091578|7.114303|3.175152|3.144986|5.958188|6.115483|3.696474|6.571965|2.903527|3.428889|2.384769|4.325748|2.113572|2.860682|2.331089|4.155140|2.183149|1.832338|1.771660|1.580716|1.462493|1.324279|1.242020|1.262033|1.373488|1.495354|1.664619|0.301199|0.500000| |17.550146|8.811447|6.929196|5.472865|0.145161|4.591415|3.882010|3.233914|3.063388|3.371452|4.128518|5.283965|2.474070|2.439236|4.576394|5.603572|3.667201|6.885119|2.878221|3.503813|2.530049|4.682628|2.248756|2.959682|2.355925|4.084188|2.392895|1.943949|1.907891|1.691171|1.542456|1.391930|1.293453|1.304147|1.418575|1.560694|1.737856|0.302149|0.301818|0.500000| |8.956023|17.563953|8.957878|9.058890|0.223572|5.493795|4.463099|3.413351|3.083930|3.364789|4.360543|5.099161|2.401848|2.325025|4.507169|9.899416|6.658893|12.880869|4.499181|5.222482|3.726317|6.945251|3.101145|4.025941|3.316995|5.581591|3.258661|2.552311|2.463938|2.110275|1.896978|1.672023|1.537665|1.558072|1.725053|1.935617|2.216741|0.213473|0.173710|0.215726|0.500000| |6.898765|8.732733|17.560589|6.451965|0.136035|6.326559|6.748238|5.009223|4.047330|3.946698|4.653049|5.619201|2.711730|2.835852|5.804803|7.196220|4.073321|6.604699|3.344311|3.764268|2.632489|4.970539|2.226283|2.946446|2.426364|4.229082|2.220742|1.957826|1.922698|1.717194|1.574206|1.424535|1.326402|1.337642|1.452364|1.593059|1.764460|0.140027|0.203711|0.172676|0.173759|0.500000| |5.480596|8.741297|17.555812|6.770268|0.139965|5.491929|5.675248|4.135596|3.361343|3.319026|3.978197|4.837214|2.370634|2.415119|4.921433|9.440138|5.395388|8.283613|4.413559|4.764842|3.361847|6.580345|2.697823|3.489086|2.905759|4.914059|2.644047|2.343025|2.310114|2.027418|1.830763|1.634688|1.505468|1.514449|1.657554|1.846990|2.068539|0.122362|0.139656|0.140787|0.211116|0.300447|0.500000| |6.865577|8.843589|17.547642|5.420938|0.124199|4.520199|4.378348|3.475980|3.005134|3.045241|3.601573|4.590091|2.239368|2.285205|4.501760|6.490700|4.098847|7.039415|3.348792|3.912473|2.865270|5.594019|2.412076|3.089273|2.484016|4.203078|2.469570|2.114951|2.117205|1.874055|1.686374|1.518446|1.397464|1.396692|1.516481|1.685151|1.868245|0.140803|0.167076|0.206684|0.218909|0.302434|0.302646|0.500000| |4.443617|5.727223|6.598076|6.839877|0.139592|8.858150|17.726127|8.998372|5.666506|4.965546|5.656169|6.522140|3.208348|3.367933|7.563640|9.184223|4.617695|6.739831|4.014865|4.215294|2.763803|5.039657|2.306352|3.165764|2.718707|4.897873|2.196380|2.028179|1.941227|1.738045|1.622782|1.465574|1.378895|1.408976|1.539612|1.672163|1.862746|0.106634|0.131244|0.105191|0.127712|0.213242|0.199305|0.135297|0.500000| |3.250798|3.548080|3.811407|4.051757|0.096454|5.612429|8.882093|17.731660|8.997256|5.675333|4.972167|7.517066|4.067108|4.845485|13.200567|5.202412|3.026418|4.713143|2.791592|3.145819|2.083231|3.733773|1.820981|2.541526|2.134969|3.942886|1.741217|1.642846|1.572769|1.439442|1.368967|1.257246|1.199772|1.229944|1.328712|1.414027|1.547731|0.082088|0.101684|0.079638|0.083541|0.125446|0.106186|0.089292|0.215909|0.500000| |5.475936|5.165840|3.968162|7.015405|0.229554|8.868938|5.649320|4.972702|5.672941|9.028126|17.729773|13.314728|4.874860|4.076004|7.522004|6.742791|4.087322|7.097836|3.222083|3.774972|2.458832|4.207494|2.225285|3.205198|2.716772|5.180793|2.235525|1.899490|1.766218|1.573524|1.489816|1.342992|1.277986|1.325330|1.458800|1.565916|1.767148|0.170016|0.163878|0.116767|0.121780|0.112605|0.099815|0.093926|0.123683|0.107885|0.500000| |2.604174|2.453037|2.261553|2.774342|0.078639|3.403396|3.238285|3.739485|5.131493|5.939563|4.371807|16.890191|17.629141|8.830394|10.162192|3.327498|2.168691|3.715438|1.956680|2.399042|1.603486|2.768997|1.499368|2.158329|1.760628|3.366062|1.484544|1.349205|1.271373|1.171478|1.133469|1.048310|1.015510|1.053521|1.136099|1.186733|1.296741|0.074426|0.080775|0.064394|0.061300|0.067478|0.059329|0.057127|0.076277|0.092663|0.118247|0.500000| |2.607974|2.574071|2.383527|3.042594|0.085088|3.858304|3.769723|4.507713|6.420138|7.001320|4.901437|16.547893|17.546261|8.885449|12.787986|3.755744|2.416228|4.038838|2.208702|2.665209|1.748887|3.000493|1.620483|2.357137|1.956036|3.793047|1.577958|1.454575|1.360346|1.250616|1.213777|1.118914|1.085399|1.131148|1.225008|1.278369|1.402770|0.073710|0.079665|0.063702|0.064224|0.070892|0.063860|0.059115|0.087397|0.110543|0.125377|0.299826|0.500000| |2.866616|2.685732|2.597922|2.927254|0.078649|3.746675|3.867570|4.890771|6.999885|6.413494|4.497735|12.790185|8.886504|17.545242|16.546980|3.461976|2.188980|3.692520|1.969461|2.373944|1.603932|2.824149|1.473207|2.078780|1.694089|3.171158|1.456887|1.332340|1.272403|1.173814|1.126280|1.043509|1.004711|1.033189|1.109477|1.166597|1.268939|0.077816|0.093257|0.071384|0.065204|0.081232|0.067288|0.065409|0.090432|0.124485|0.110617|0.213165|0.173923|0.500000| |2.376520|2.312885|2.253230|2.571912|0.069336|3.221432|3.410223|4.366446|5.940007|5.128146|3.736290|10.162218|8.830316|17.628316|16.888038|3.181348|2.040634|3.410489|1.886471|2.283315|1.532033|2.680357|1.413545|2.012069|1.642682|3.103614|1.381554|1.288199|1.225017|1.136263|1.099105|1.021865|0.989731|1.021940|1.095627|1.143440|1.239166|0.064960|0.074345|0.059652|0.057314|0.069081|0.060041|0.056798|0.081741|0.117542|0.092875|0.208993|0.213127|0.299811|0.500000| |4.208291|5.951513|5.509677|8.986684|0.187732|7.595162|7.291310|4.994213|4.072586|4.127795|5.180462|5.821556|2.826519|2.743583|5.726040|26.077521|9.460846|10.899141|7.606051|6.650690|3.967805|6.933342|3.132307|4.402800|4.071517|7.347701|2.879455|2.624887|2.426547|2.108439|1.961740|1.729352|1.618510|1.673413|1.870204|2.061310|2.375472|0.109033|0.111247|0.098983|0.151504|0.140161|0.179339|0.118986|0.226843|0.120795|0.126683|0.068808|0.079778|0.072468|0.067910|0.500000| |3.084565|4.069639|4.001756|4.603168|0.115479|3.776061|3.700559|3.003394|2.611787|2.637895|3.076618|4.045769|2.046253|1.992828|3.987740|9.549349|8.865971|11.064735|17.617710|12.629433|7.211269|12.931051|4.649159|6.103415|5.734532|8.819153|3.829310|3.836185|3.505152|2.919963|2.647515|2.252533|2.058874|2.120618|2.422083|2.782008|3.310920|0.081856|0.078639|0.078746|0.121258|0.096975|0.135394|0.098267|0.115858|0.078617|0.081558|0.051665|0.058040|0.053270|0.050998|0.200958|0.500000| |2.949224|3.727174|3.438546|4.683633|0.124184|4.028065|3.824147|3.167682|2.830185|2.912008|3.400815|4.487245|2.267368|2.153798|4.302445|9.641412|8.836448|10.917769|17.621313|12.626944|5.756283|8.812239|4.352299|6.619423|7.216867|12.999833|3.568121|3.533448|3.053647|2.595774|2.455410|2.105754|1.974798|2.088467|2.410515|2.683354|3.233827|0.080912|0.076576|0.073357|0.107063|0.086929|0.108612|0.083265|0.112398|0.081342|0.090928|0.056883|0.065676|0.056533|0.055071|0.214683|0.300469|0.500000| |2.189231|2.467660|2.209793|2.696572|0.080020|2.321390|2.117051|1.880264|1.806391|1.928202|2.187078|3.218144|1.646623|1.534786|2.881303|4.205926|3.905355|7.615725|4.328747|8.323650|5.895819|7.749799|8.840457|26.047859|9.408563|13.138263|7.004024|6.320770|4.372032|3.543632|3.492500|2.808181|2.638514|2.929932|3.691721|4.264319|6.137119|0.063540|0.055599|0.057421|0.075636|0.055806|0.064520|0.058274|0.059491|0.048827|0.063284|0.043325|0.047031|0.041186|0.039931|0.080319|0.102400|0.113456|0.500000| |2.439966|2.772354|2.547849|2.720655|0.078035|2.248678|2.068601|1.804428|1.699172|1.793460|2.053058|2.953438|1.499065|1.433249|2.699032|4.122822|3.774368|7.811365|3.827799|6.610493|6.843311|11.635314|8.765008|7.626027|4.546183|6.422960|17.622511|6.839557|6.801073|4.730221|3.798430|3.010793|2.590408|2.592071|3.016017|3.804638|4.739252|0.069128|0.059989|0.067105|0.090416|0.062006|0.074395|0.070671|0.059712|0.047181|0.058804|0.039516|0.041749|0.039296|0.037104|0.076099|0.101671|0.089922|0.140778|0.500000| |2.221113|2.464009|2.224011|2.508950|0.073827|2.117998|1.932915|1.709914|1.636423|1.743232|1.982159|2.912538|1.483832|1.401236|2.615402|3.758870|3.415314|7.068976|3.492210|6.172987|5.536517|8.305810|8.828938|9.415490|4.926384|7.094075|17.559127|6.826510|5.569852|4.237297|3.772580|2.996402|2.669666|2.776997|3.325227|4.094013|5.348143|0.064281|0.055331|0.060206|0.078186|0.055260|0.064138|0.060727|0.054828|0.044576|0.057505|0.039332|0.041606|0.038218|0.036398|0.070092|0.088845|0.086023|0.200581|0.301134|0.500000| |2.793921|3.188296|2.772327|3.245685|0.097029|2.609082|2.323258|2.005139|1.905893|2.053026|2.399760|3.381343|1.691906|1.592474|2.991414|4.911066|4.749922|10.914454|4.513610|7.956812|7.093860|10.376538|8.802720|9.679151|5.951784|8.331611|17.577980|5.478386|4.661077|3.535632|3.101446|2.530242|2.271151|2.348348|2.757394|3.306453|4.239498|0.081440|0.067857|0.074861|0.105372|0.067256|0.079818|0.074963|0.065893|0.051578|0.070079|0.044508|0.047208|0.043495|0.040923|0.087903|0.110809|0.105525|0.183536|0.301143|0.299275|0.500000| |2.083746|2.391498|2.327480|2.355083|0.065078|2.013676|1.923668|1.696465|1.575521|1.622823|1.819153|2.658657|1.371915|1.331309|2.530176|3.658975|3.213595|6.001773|3.569991|6.026824|6.423144|12.833030|6.974305|6.249683|3.889751|5.563131|6.471064|8.797885|17.760391|9.052691|5.621363|4.149899|3.293118|3.134350|3.605764|4.930244|5.660173|0.057434|0.052486|0.057466|0.075173|0.057463|0.070006|0.064697|0.056664|0.045208|0.050891|0.036041|0.038400|0.036382|0.034760|0.070485|0.102255|0.085378|0.110869|0.226757|0.151873|0.138613|0.500000| |1.654132|1.849191|1.834099|1.830893|0.050432|1.625541|1.581311|1.428632|1.335566|1.361197|1.491922|2.254491|1.181933|1.153847|2.182041|2.785677|2.329457|4.233755|2.589591|4.124279|3.746550|7.052180|4.089597|4.423098|2.822110|4.291174|3.778557|5.611655|9.031612|17.706713|8.829609|7.018109|4.684818|3.930905|4.152567|5.603843|4.944428|0.045517|0.042544|0.045805|0.056266|0.046500|0.054703|0.051150|0.046401|0.038577|0.041538|0.031227|0.033180|0.031514|0.030438|0.055079|0.074666|0.065491|0.083154|0.117234|0.101298|0.087499|0.218360|0.500000| |1.378286|1.516549|1.504454|1.523738|0.042122|1.386156|1.358426|1.249250|1.178130|1.195654|1.290789|1.999937|1.060954|1.035801|1.948858|2.293592|1.876291|3.369642|2.086131|3.246367|2.724602|4.887085|2.992237|3.578761|2.320048|3.670106|2.740033|3.915887|4.688887|7.020208|8.836251|17.705272|8.993310|5.623307|4.933307|5.594793|4.148008|0.038088|0.035954|0.037986|0.045223|0.038851|0.044514|0.041665|0.039535|0.033951|0.035912|0.028156|0.029935|0.028198|0.027546|0.046019|0.059403|0.054746|0.069703|0.079589|0.076796|0.066014|0.111423|0.212126|0.500000| |1.229206|1.340534|1.322104|1.367281|0.037997|1.263125|1.240107|1.154010|1.097359|1.112983|1.190007|1.876463|1.003641|0.976757|1.829890|2.047113|1.657482|2.958263|1.843425|2.838399|2.268634|3.939655|2.502498|3.198332|2.098293|3.418691|2.273629|3.121304|3.288348|4.140686|5.616400|9.004763|17.716166|8.825720|5.650076|4.919900|3.598491|0.034153|0.032348|0.033646|0.039492|0.034525|0.038896|0.036302|0.035790|0.031429|0.033143|0.026718|0.028480|0.026478|0.026122|0.041425|0.051710|0.049642|0.063872|0.063479|0.064950|0.056134|0.079012|0.111031|0.216352|0.500000| |1.257632|1.372387|1.336071|1.426405|0.039964|1.322771|1.291800|1.204946|1.152665|1.174441|1.254826|1.987549|1.064642|1.027581|1.922191|2.146126|1.748184|3.113561|1.964811|3.064724|2.369990|3.957712|2.676200|3.619855|2.357143|3.902276|2.366251|3.285132|3.132115|3.600600|4.921742|5.649856|8.825261|17.716572|9.005400|5.614807|4.146463|0.035201|0.033160|0.034075|0.040283|0.034978|0.039249|0.036272|0.037004|0.032684|0.035071|0.028339|0.030423|0.027689|0.027504|0.043565|0.053972|0.053896|0.073800|0.063535|0.068526|0.058828|0.074150|0.089620|0.124037|0.213839|0.500000| |1.462550|1.613821|1.546362|1.704578|0.048167|1.561115|1.507072|1.390877|1.329885|1.366573|1.476817|2.303353|1.223475|1.170037|2.195336|2.606184|2.178409|3.894921|2.503504|4.093009|3.126335|4.955685|3.734314|5.321165|3.301067|5.378557|3.106780|4.697126|3.941170|4.157991|5.596075|4.933238|5.624017|8.996109|17.704411|8.833476|7.052823|0.041200|0.038306|0.039253|0.047710|0.040173|0.045587|0.041569|0.043055|0.037385|0.041477|0.032428|0.035094|0.031398|0.031132|0.052638|0.067075|0.068845|0.109687|0.079798|0.090719|0.076062|0.089846|0.095860|0.107173|0.124057|0.216459|0.500000| 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