Version2.0 2020-01-31T11:06:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@@H](NS(=O)(=O)c4ccc(c3ccc(COc2ccc1C(=O)CCCc1c2)cc3)cc4)C(O)=O 480082 CHEMBL466118 RHF 6-31G(d) (6D,7F) CC(C)[C@@H](NS(=O)(=O)c4ccc(c3ccc(COc2ccc1C(=O)CCCc1c2)cc3)cc4)C(O)=O C01[X(C28H29N1O6S1)] 189 C1 602 CC([C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)COc1ccc2c(c1)CCCC2=O)C CC([C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)COc1ccc2c(c1)CCCC2=O)C CC(C)[C@@H](N[S](=O)(=O)c1ccc(cc1)c2ccc(COc3ccc4C(=O)CCCc4c3)cc2)C(O)=O InChIKey=OJALZWLVBUFAQK-HHHXNRCGSA-N InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1 InChI=1/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1/f/h31H CC(C)[C@@H](NS(=O)(=O)c4ccc(c3ccc(COc2ccc1C(=O)CCCc1c2)cc3)cc4)C(O)=O C01[X(C28H29N1O6S1)] 189 C01 602 CC([C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)COc1ccc2c(c1)CCCC2=O)C CC([C@H](C(=O)O)N[S@](=O)(c1ccc(cc1)c1ccc(cc1)COc1ccc2c(c1)CCCC2=O)O)C CC(C)[C@@H](N[S](O)(=O)c1ccc(cc1)c2ccc(COc3ccc4C(=O)CCCc4c3)cc2)C(O)=O InChIKey=IIVWCDPVAFIYLI-SYXQJMHYSA-N InChI=1S/C26H27ClN4O4S/c1-5-15(2)18-8-6-7-9-21(18)34-10-11-35-23-20(27)13-17(14-22(23)33-4)12-19-24(28)31-26(29-25(19)32)36-16(3)30-31/h6-9,12-15,28H,5,10-11H2,1-4H3/b19-12-,28-24?/t15-/m0/s1 InChI=1/C26H27ClN4O4S/c1-5-15(2)18-8-6-7-9-21(18)34-10-11-35-23-20(27)13-17(14-22(23)33-4)12-19-24(28)31-26(29-25(19)32)36-16(3)30-31/h6-9,12-15,28H,5,10-11H2,1-4H3/b19-12-,28-24?/t15-/m0/s1 3648.8346758511 -1978.3145854 1-A 45564.8621 134 468 602 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1580.11 1587.22 1593.48 1600.39 1600.85 1604.56 1609.52 1624.99 1636.50 1655.44 1704.51 1708.86 1718.81 1725.13 1732.01 1737.90 1790.36 1790.81 1793.61 1821.78 1826.41 1827.06 1843.20 1868.91 1881.86 1885.89 1892.02 1893.08 1901.14 1920.70 1937.93 1955.79 2008.31 2016.55 2019.36 2026.43 2032.40 2054.67 2078.17 2088.45 2100.05 2107.79 2133.34 2156.62 2168.50 2187.44 2195.91 2215.30 2225.43 2245.54 2246.07 2272.21 2285.64 2306.68 2315.46 2343.83 2346.75 2351.77 2358.96 2370.68 2374.05 2388.47 2396.26 2402.45 2413.09 2449.83 2517.77 2533.21 2553.46 2597.30 2600.20 2629.06 2848.40 2920.25 4587.59 4590.67 4608.07 4612.16 4614.34 4615.77 4621.44 4677.34 4681.49 4684.04 4692.46 4713.18 4722.08 4724.32 4745.30 4757.16 4828.74 4851.35 4861.61 4864.67 4869.02 4869.89 4885.90 4891.11 4900.53 4914.44 4916.93 5418.76 5819.44 0.565350 0.596526 0.597471 0.496034 -1977.749235 -1977.718059 -1977.717115 -1977.818551 3.402180D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE CC(C)[C@@H](NS(=O)(=O)c4ccc(c3ccc(COc2ccc1C(=O)CCCc1c2)cc3)cc4)C(O)=O 480082 CHEMBL466118 RHF 6-31G(d) (6D,10F) C1 507.171560 |X|Y|Z| 45.619670 39.695235 204.714438 71.836693 24 6 8 23 1 |36.858105| |12.445264|36.858105| |7.569507|12.424898|36.858105| |7.536523|12.319482|7.452684|36.858105| |7.013834|8.821318|6.670572|17.624796|0.500000| |6.431152|7.772132|4.988409|13.062148|0.254786|53.358707| |4.421089|4.788697|3.651117|7.114177|0.191276|15.700123|388.023441| |3.672151|3.893868|3.047713|5.048345|0.129252|10.593472|94.755117|73.516695| |3.787316|4.300638|3.560008|6.559150|0.191852|10.265647|94.514303|13.604325|73.516695| |4.491506|4.243550|3.340730|5.498867|0.170263|9.652333|76.690121|12.958967|13.109301|36.858105| |4.381286|3.849924|3.029612|4.463847|0.130212|7.861655|49.611988|11.113935|8.782686|13.716979|36.858105| |3.827650|3.258660|2.693700|3.583159|0.107212|5.707952|33.751524|7.725747|6.815465|7.971222|13.816112|36.858105| |3.482710|3.019393|2.597621|3.347349|0.104558|4.992191|29.807365|6.528864|6.567482|6.856486|7.889189|13.636296|36.858105| |2.916755|2.530177|2.252454|2.703001|0.083127|3.912411|22.449136|5.103968|5.126872|4.463402|5.041998|7.596784|12.788195|36.858105| |2.456702|2.202001|2.002943|2.371751|0.072814|3.390209|19.761573|4.543428|4.686709|3.716304|3.938354|5.199004|7.593942|13.665965|36.858105| |2.158304|1.939649|1.793036|2.048352|0.062108|2.896051|16.482433|3.849941|3.937963|2.941048|3.124362|3.938374|5.038182|7.888195|13.792825|36.858105| |2.147477|1.900072|1.761423|1.962218|0.058933|2.765731|15.323822|3.603018|3.614912|2.692989|2.930643|3.698575|4.434836|6.789300|7.914404|13.705183|36.858105| |1.861444|1.665708|1.564549|1.704491|0.050701|2.386208|13.090891|3.110625|3.116391|2.219782|2.386970|2.878073|3.282454|4.415882|5.021639|7.551262|12.627061|36.858105| |1.749336|1.585605|1.507144|1.630327|0.048743|2.256497|12.413161|2.929999|3.005939|2.079567|2.178532|2.563560|2.966731|3.832240|4.562549|6.711040|8.032871|13.552269|73.516695| |1.565691|1.431234|1.370884|1.464709|0.043494|2.020745|11.054700|2.626857|2.690129|1.813771|1.889966|2.175127|2.453616|3.018838|3.471011|4.607634|5.221124|7.985750|25.189749|36.858105| |1.474889|1.347384|1.289452|1.369168|0.040308|1.896578|10.308189|2.472647|2.492864|1.674442|1.761329|2.014566|2.214449|2.676833|2.965512|3.768532|4.405947|6.708664|13.996292|13.689333|36.858105| |1.338173|1.232394|1.186969|1.250052|0.036662|1.725507|9.350033|2.249621|2.273530|1.496958|1.563017|1.758789|1.913327|2.247944|2.464108|2.997678|3.346536|4.516539|9.283310|7.982700|13.796539|36.858105| |1.283169|1.190466|1.153729|1.211332|0.035607|1.662547|9.023521|2.163454|2.213716|1.435814|1.481618|1.651772|1.807514|2.095805|2.317050|2.774302|2.973732|3.782541|8.216567|6.851429|7.876820|13.713130|36.858105| |1.169101|1.091210|1.061997|1.107813|0.032419|1.518043|8.211959|1.976340|2.019884|1.291239|1.328118|1.463508|1.583930|1.801049|1.964142|2.283121|2.416253|2.934730|6.036835|4.463273|5.060329|7.683380|12.800079|36.858105| |1.125051|1.049656|1.020565|1.061948|0.030945|1.458591|7.865119|1.901486|1.927582|1.231656|1.272558|1.398777|1.498840|1.695402|1.826991|2.104414|2.247915|2.716228|5.358546|3.821048|4.556676|6.803151|8.100828|15.909368|73.516695| |1.117897|1.050562|1.027705|1.069329|0.031325|1.458830|7.899872|1.897101|1.957433|1.234161|1.257874|1.374754|1.491242|1.675181|1.831001|2.093836|2.163730|2.534726|5.251628|3.689578|3.824387|4.967021|7.432946|12.564007|14.304191|36.858105| |1.172781|1.102644|1.083067|1.123955|0.033093|1.524467|8.254852|1.968139|2.055558|1.293037|1.308975|1.430906|1.567903|1.762862|1.937370|2.214224|2.266469|2.622054|5.603943|3.892161|3.741736|4.497347|6.640081|7.524016|9.400032|12.470421|36.858105| |1.265797|1.187386|1.160953|1.217843|0.036039|1.655413|9.029640|2.145857|2.250189|1.428676|1.444868|1.592231|1.767589|2.013851|2.261994|2.638468|2.661650|3.109186|7.022349|5.014862|4.416105|5.010412|7.521186|6.447070|8.156487|7.591958|12.470834|36.858105| |1.342416|1.247838|1.211662|1.276755|0.037770|1.745286|9.517124|2.265675|2.349809|1.521739|1.556673|1.737915|1.932064|2.249879|2.537393|3.064821|3.192134|3.973645|9.415441|7.897154|6.805098|7.912204|13.597269|7.546739|9.377812|6.523223|7.560848|12.578858|36.858105| |1.481350|1.368277|1.321905|1.405160|0.041818|1.923807|10.538418|2.495011|2.595729|1.710389|1.753324|1.984855|2.245874|2.683778|3.101479|3.915469|4.082350|5.256815|14.636496|13.698885|7.901776|6.915505|7.936997|5.041435|7.128873|4.428295|5.057336|7.584363|13.787290|36.858105| |2.435101|2.099142|1.924149|2.137914|0.064031|3.028082|16.480834|3.863675|3.806282|2.941570|3.311226|4.332392|5.039270|7.898129|6.909876|7.981225|13.750473|7.583538|9.507543|3.991965|3.610800|2.865939|2.550957|2.134628|3.589384|1.922028|2.003761|2.285756|2.676799|3.259030|36.858105| |2.891178|2.444548|2.190780|2.514451|0.075969|3.609268|19.769969|4.569535|4.470661|3.719970|4.339724|6.237964|7.604929|13.713147|7.975922|6.897205|7.904965|5.024253|7.199541|3.180342|2.884435|2.387707|2.180525|1.866030|3.145493|1.711707|1.790334|2.026136|2.301752|2.740360|13.748002|36.858105| |3.540626|3.203147|2.788049|3.731910|0.122413|5.388089|33.695730|6.879297|7.928082|7.970325|6.871850|7.945649|13.701927|7.607924|6.241036|4.338397|3.702556|2.873987|4.836576|2.286641|2.043662|1.791861|1.722351|1.519487|2.543426|1.449418|1.537494|1.734106|1.861824|2.151436|3.943863|5.210206|36.858105| |3.964564|3.761482|3.168064|4.769683|0.161154|7.091274|49.573247|8.962446|11.723383|13.774105|7.907145|6.870078|7.887276|5.037783|4.334263|3.310670|2.929799|2.382711|4.037646|1.960791|1.779674|1.585330|1.531360|1.369088|2.303940|1.314008|1.388851|1.548138|1.643374|1.864395|3.123808|3.939281|13.746554|36.858105| |4.912062|7.532253|6.470759|12.515801|0.248157|10.649437|40.931753|7.960748|11.243509|4.208255|3.461919|2.871683|2.741203|2.284133|2.067544|1.811726|1.727350|1.523454|2.617768|1.336473|1.251663|1.152340|1.123586|1.034321|1.763518|1.004404|1.055524|1.139165|1.184406|1.293620|1.847772|2.121892|3.076487|3.846500|36.858105| |4.180663|5.794516|6.007968|8.010432|0.216899|7.370738|33.022441|6.494574|9.938126|3.732122|3.056217|2.633063|2.606554|2.207907|2.031675|1.789166|1.696762|1.502920|2.611056|1.336140|1.244922|1.149394|1.127608|1.039040|1.765966|1.014084|1.071147|1.156327|1.194766|1.303772|1.795611|2.041090|2.993880|3.674365|14.412914|73.516695| |4.172049|6.026866|5.216152|7.976538|0.164887|9.233441|36.881627|7.961221|9.718718|3.690722|3.153672|2.616047|2.457338|2.073724|1.889157|1.669767|1.597662|1.420226|2.435610|1.250565|1.178280|1.088822|1.060817|0.980467|1.676928|0.952129|0.996263|1.071437|1.113246|1.209862|1.704531|1.940379|2.693422|3.296486|16.035534|15.309709|73.516695| |17.554675|8.822466|6.934354|5.485979|0.141734|6.622848|25.390755|5.541262|5.561029|3.623697|3.656577|3.324650|3.042188|2.648052|2.250741|2.016616|2.037428|1.789877|2.985836|1.513935|1.436429|1.308055|1.252204|1.144836|1.965142|1.093301|1.144642|1.228282|1.303283|1.430822|2.318259|2.696273|3.024938|3.267469|4.071621|6.340847|6.433417|0.500000| |17.609583|8.749814|5.488529|6.915338|0.176090|9.908170|35.335803|7.494368|7.035621|5.208711|5.423340|4.540691|3.882663|3.168473|2.614292|2.272710|2.261570|1.941981|3.206657|1.606649|1.517429|1.370503|1.306993|1.187824|2.035181|1.131049|1.181597|1.278693|1.363490|1.508699|2.592591|3.140203|3.807254|4.281808|4.536982|6.705108|7.106929|0.301429|0.500000| |17.526696|8.781406|6.888153|6.771441|0.206428|7.585974|30.196877|6.102602|6.714349|4.644981|4.424746|4.036495|3.850204|3.223163|2.693447|2.350640|2.333441|2.003190|3.361227|1.679940|1.568998|1.417366|1.361561|1.234470|2.102950|1.180964|1.245959|1.350458|1.433079|1.591365|2.654197|3.180787|3.992967|4.367909|4.552445|7.369973|6.674854|0.301739|0.301287|0.500000| |8.891098|17.518637|8.912417|8.934263|0.174910|9.948972|31.870905|6.930823|7.003093|3.807942|3.570949|3.004398|2.726916|2.312006|2.025102|1.798818|1.769573|1.564094|2.638829|1.347522|1.277259|1.172338|1.130674|1.040437|1.785561|1.001021|1.045839|1.122092|1.179182|1.286646|1.951289|2.251093|2.833004|3.293828|6.854648|8.956143|11.328837|0.214268|0.211483|0.173380|0.500000| |6.752456|8.749859|17.543006|6.802339|0.197710|6.213362|25.330288|5.175845|6.372499|3.392038|3.022366|2.739165|2.717987|2.364677|2.111539|1.886376|1.844964|1.633685|2.816671|1.436937|1.342532|1.234130|1.203573|1.105076|1.880974|1.071663|1.135375|1.220313|1.270969|1.391081|2.007158|2.284740|2.978379|3.356754|5.879270|10.950536|8.104185|0.166824|0.138836|0.200954|0.173435|0.500000| |5.482898|8.699823|17.575917|6.661991|0.160288|6.258213|24.637211|5.232438|6.206249|3.045525|2.737379|2.424895|2.343785|2.044128|1.844950|1.659003|1.621564|1.450824|2.496994|1.284866|1.210424|1.119707|1.092010|1.009398|1.725619|0.980222|1.032034|1.103667|1.146380|1.244853|1.751883|1.975244|2.531100|2.895530|7.171010|12.231106|10.681287|0.142301|0.122284|0.139475|0.214622|0.301607|0.500000| |7.061296|8.835450|17.565995|5.458716|0.138906|5.636474|22.251709|4.808639|5.330654|2.946780|2.768435|2.514270|2.415261|2.136587|1.898626|1.719981|1.710242|1.530581|2.614615|1.343348|1.270271|1.171667|1.136712|1.048577|1.796125|1.013099|1.065948|1.137534|1.188844|1.292827|1.878110|2.117954|2.532351|2.793693|4.809419|8.005217|7.464015|0.213441|0.142788|0.175136|0.211959|0.301638|0.302809|0.500000| |5.503651|6.861077|4.605691|9.207747|0.180469|25.827221|61.905980|13.873329|11.075586|5.470422|4.847056|3.637605|3.159645|2.552815|2.240121|1.942246|1.866479|1.629200|2.737607|1.389240|1.312494|1.199735|1.155600|1.060016|1.816549|1.019046|1.060924|1.147040|1.207597|1.323327|2.035780|2.388416|3.325051|4.175311|7.312257|8.760443|13.374151|0.124372|0.171792|0.128167|0.209951|0.112737|0.123070|0.109317|0.500000| |4.334373|3.845284|2.971861|4.327354|0.118688|8.084901|47.372439|12.324545|8.065277|8.904744|17.744611|8.926000|5.621607|4.105116|3.317596|2.742682|2.627775|2.191684|3.544605|1.751686|1.652739|1.476191|1.396115|1.259474|2.157210|1.191781|1.233264|1.351736|1.455010|1.623991|2.971198|3.752925|4.953779|5.637069|3.402972|5.200748|5.691466|0.102519|0.154762|0.114916|0.103297|0.080149|0.075171|0.076267|0.147489|0.500000| |3.491084|2.945976|2.463654|3.119507|0.090910|4.932008|27.908529|6.750181|5.714794|5.666312|8.970589|17.733864|8.890239|7.030734|4.876663|3.908009|3.840140|3.004078|4.627728|2.213645|2.079999|1.807772|1.678490|1.486207|2.539410|1.384912|1.430729|1.586614|1.747342|1.990823|4.670068|6.697935|5.648716|4.952168|2.550370|4.153872|4.205608|0.087240|0.115317|0.100185|0.077064|0.068865|0.061825|0.065088|0.090536|0.215925|0.500000| |2.379428|2.180363|1.986162|2.398148|0.073984|3.432831|20.596985|4.718291|4.992330|3.855305|3.902673|4.869613|7.022639|8.898833|17.721456|8.962509|5.644289|4.099530|7.009878|3.131123|2.680841|2.280008|2.182588|1.871284|3.087556|1.767977|1.875647|2.192133|2.407615|2.899939|4.971637|5.659677|6.705603|4.675765|2.116915|3.722547|3.437495|0.060052|0.070032|0.072128|0.055699|0.058264|0.051254|0.051811|0.062926|0.090739|0.121798|0.500000| |1.950569|1.781099|1.661784|1.887752|0.057065|2.656209|15.185592|3.567385|3.686081|2.638810|2.743976|3.318946|4.108649|5.629550|8.947873|17.736516|8.917202|6.999264|13.039147|5.097807|3.996479|3.195250|3.011591|2.451391|3.964502|2.260451|2.400335|2.932004|3.409790|4.458175|5.665935|4.966080|3.761628|2.977311|1.695631|2.998303|2.790544|0.050778|0.056624|0.058673|0.046066|0.048579|0.043065|0.044256|0.049804|0.067731|0.090827|0.216822|0.500000| |1.860643|1.653039|1.558918|1.669800|0.049458|2.326978|12.573595|2.988664|2.980998|2.112912|2.282843|2.729291|3.041519|3.969472|4.196890|5.608499|8.902691|17.569365|16.522443|7.056261|6.763460|4.597988|3.741298|2.936497|4.907229|2.504582|2.576924|2.968577|3.788969|4.774305|7.293517|4.772483|2.662276|2.241289|1.489716|2.608547|2.471473|0.050200|0.053749|0.055572|0.043191|0.045141|0.040045|0.042685|0.044259|0.058786|0.079910|0.096545|0.141427|0.500000| |1.750064|1.576858|1.475477|1.618210|0.047775|2.285405|12.610071|3.035180|2.994349|2.119298|2.293186|2.744197|3.053457|3.987052|4.538100|6.479392|8.899375|17.541066|16.573339|7.148829|6.862543|4.649419|3.777828|2.960067|4.941375|2.525418|2.543667|2.991030|3.822964|4.817901|6.145585|4.416039|2.667603|2.246070|1.454381|2.540356|2.426838|0.046776|0.050998|0.051751|0.041430|0.042517|0.038194|0.040084|0.043625|0.059104|0.080573|0.106363|0.177087|0.301327|0.500000| |1.514709|1.375419|1.308871|1.392625|0.040849|1.940152|10.517559|2.534670|2.521676|1.713754|1.824951|2.101985|2.283672|2.778694|3.016476|3.818342|4.686597|7.415275|12.460705|8.837596|17.770409|8.960061|5.632385|4.136452|7.033123|3.215473|3.110402|3.537176|4.920896|5.616887|3.936406|3.071561|2.071351|1.803585|1.267208|2.227350|2.124556|0.041074|0.043531|0.044603|0.036314|0.037697|0.034052|0.035895|0.037351|0.047783|0.061126|0.074622|0.108454|0.225287|0.228050|0.500000| |1.279389|1.179028|1.135322|1.191446|0.034771|1.647915|8.896512|2.151683|2.156893|1.415185|1.483336|1.660590|1.783137|2.071920|2.234456|2.662650|2.981065|3.900394|7.460293|5.662895|8.939470|17.746505|8.981766|7.204993|13.696445|4.594556|3.940932|4.095091|5.648821|4.976492|2.631215|2.214541|1.664937|1.485678|1.100156|1.945411|1.854830|0.034877|0.036437|0.037448|0.031284|0.032660|0.029790|0.031220|0.031955|0.039186|0.047691|0.057558|0.077568|0.113075|0.114135|0.216173|0.500000| |1.064191|1.001808|0.982705|1.016356|0.029692|1.384519|7.466909|1.795810|1.850105|1.159777|1.181783|1.285099|1.385031|1.543484|1.669095|1.885910|1.955416|2.262462|4.577606|3.124741|3.284941|4.172843|5.579108|9.003132|13.487327|17.592415|8.725575|5.491705|4.865809|3.600609|1.764172|1.582002|1.347570|1.229542|0.957005|1.717771|1.615973|0.029001|0.029858|0.031154|0.026571|0.028422|0.026075|0.026974|0.026930|0.031218|0.035994|0.044797|0.055914|0.062829|0.062599|0.079190|0.112862|0.500000| |1.090635|1.028503|1.004039|1.051189|0.030767|1.438095|7.824680|1.884439|1.942051|1.220054|1.241805|1.354306|1.467728|1.642913|1.806885|2.059620|2.098840|2.435821|5.019873|3.467038|3.556505|4.474163|6.285091|9.030615|11.915310|17.485217|8.840682|6.873818|5.794729|4.132548|1.856250|1.663945|1.429591|1.298804|0.989886|1.776210|1.671111|0.029557|0.030710|0.031937|0.027259|0.029045|0.026658|0.027430|0.027935|0.032700|0.037862|0.048849|0.062336|0.065836|0.068350|0.084094|0.115834|0.302869|0.500000| |1.193591|1.118862|1.102492|1.134710|0.033419|1.533622|8.255135|1.963074|2.052497|1.293248|1.310381|1.432803|1.568410|1.763715|1.918048|2.185672|2.268870|2.625002|5.569852|3.837907|3.717915|4.422168|6.189717|6.763561|8.994465|8.849143|17.523940|8.858697|6.764011|4.840998|2.028823|1.807970|1.535971|1.387647|1.063605|1.919791|1.782211|0.032465|0.033312|0.035290|0.029447|0.032144|0.029127|0.030231|0.029631|0.034307|0.039823|0.051211|0.064865|0.073063|0.069696|0.086577|0.108657|0.211689|0.173453|0.500000| |1.125404|1.063929|1.048534|1.086284|0.031969|1.469853|7.962938|1.898211|1.992408|1.239622|1.247947|1.354909|1.482243|1.648724|1.808375|2.036131|2.056609|2.324393|4.894062|3.263269|3.108082|3.596162|4.862785|5.496724|7.595758|8.834645|17.555915|8.832295|5.512354|4.127048|1.833420|1.660714|1.465413|1.332548|1.025307|1.855472|1.722120|0.030497|0.031421|0.033175|0.028047|0.030547|0.027841|0.028639|0.028449|0.032690|0.037478|0.049098|0.061261|0.063185|0.062732|0.073756|0.089936|0.209396|0.213555|0.303198|0.500000| |1.313470|1.233254|1.210474|1.266496|0.037648|1.712055|9.333993|2.203879|2.337112|1.478937|1.485561|1.634944|1.830178|2.080296|2.341739|2.710206|2.702163|3.078127|7.031308|4.746083|3.979104|4.222624|5.655314|4.842127|6.611445|5.511251|8.807760|17.564827|8.909777|7.204061|2.326275|2.078703|1.813243|1.615353|1.184872|2.148312|1.973723|0.035340|0.036709|0.039116|0.032246|0.035511|0.031944|0.032895|0.032850|0.038432|0.044928|0.063294|0.083522|0.081482|0.080319|0.090583|0.097311|0.122758|0.140193|0.214925|0.210618|0.500000| |1.231011|1.160191|1.131712|1.196242|0.035362|1.631435|8.954146|2.134939|2.237344|1.412984|1.425662|1.566109|1.736694|1.967344|2.229605|2.585127|2.552122|2.935749|6.524199|4.501326|3.993055|4.451111|6.237072|5.648878|7.482993|6.818612|8.865168|17.495958|8.940169|6.403311|2.182988|1.954610|1.710111|1.531538|1.122900|2.026137|1.881541|0.033085|0.034619|0.036376|0.030507|0.032989|0.029971|0.030714|0.031442|0.037069|0.043278|0.060794|0.081016|0.076436|0.080075|0.090890|0.103755|0.139604|0.202461|0.173926|0.215975|0.303783|0.500000| |1.534512|1.421895|1.376732|1.468818|0.043990|2.002102|11.017346|2.589598|2.733556|1.794253|1.819779|2.056816|2.364060|2.818421|3.321969|4.159663|4.115627|4.889177|13.595369|8.982913|5.650887|4.975338|5.629326|4.086232|5.931830|3.859513|4.609361|6.993332|8.891224|17.726898|3.268895|2.809373|2.301527|1.982322|1.353387|2.438001|2.240707|0.040959|0.043273|0.046042|0.036967|0.040458|0.036018|0.037240|0.038096|0.046469|0.056589|0.087549|0.134797|0.120530|0.121208|0.124069|0.107943|0.089189|0.102065|0.122664|0.110113|0.215091|0.171824|0.500000| |2.354690|2.018330|1.861714|2.018896|0.059846|2.846245|15.190576|3.587796|3.500572|2.640897|2.978757|3.758497|4.111960|5.637564|4.970121|5.658209|8.914095|7.023883|8.734710|3.877731|3.675718|2.925596|2.558359|2.152277|3.658381|1.917962|1.984064|2.227557|2.624865|3.131710|17.702021|8.947947|3.325352|2.745452|1.750517|3.017875|2.885568|0.063370|0.069354|0.070753|0.052457|0.053671|0.047051|0.051047|0.053622|0.076143|0.114780|0.107822|0.124266|0.223041|0.161568|0.114745|0.075722|0.049216|0.051060|0.056312|0.050216|0.062532|0.058557|0.085199|0.500000| |3.260564|2.667598|2.358854|2.686070|0.080380|3.874537|20.594940|4.761319|4.556001|3.857896|4.677437|6.693900|7.023599|8.907600|5.656142|4.965147|5.641954|4.104637|6.023605|2.774028|2.577812|2.176148|1.990788|1.728032|2.936791|1.589383|1.656427|1.847051|2.078364|2.422190|8.944496|17.720714|4.875705|3.901740|2.226728|3.760679|3.619613|0.085030|0.100060|0.099343|0.068287|0.067773|0.058426|0.063832|0.071185|0.114548|0.211754|0.124136|0.107756|0.113725|0.102655|0.076588|0.056800|0.041135|0.042831|0.046697|0.042852|0.052580|0.049405|0.068514|0.217099|0.500000| |3.138852|2.886241|2.607205|3.310932|0.109057|4.586275|27.868661|5.795567|6.965667|5.668881|4.952785|5.645143|8.909280|7.033277|6.711472|4.681274|3.843903|2.993247|5.187366|2.435661|2.136655|1.872150|1.816732|1.594955|2.648778|1.529647|1.638412|1.864979|1.991693|2.322497|3.911104|4.879568|17.733658|8.950862|2.825548|5.043292|4.399510|0.075997|0.090777|0.099303|0.070915|0.078620|0.066278|0.066104|0.080139|0.107560|0.124051|0.213056|0.115083|0.076168|0.076160|0.059387|0.047903|0.039345|0.041899|0.045416|0.043433|0.054681|0.051092|0.070202|0.090944|0.121747|0.500000| |3.693285|3.700850|3.221274|4.868727|0.170175|6.774588|47.324956|8.362574|13.719410|8.936415|5.638483|4.953790|5.621192|4.101369|3.752191|2.972544|2.626755|2.185877|3.775110|1.854439|1.679760|1.509829|1.471897|1.322996|2.222071|1.279708|1.358112|1.510891|1.586314|1.788354|2.740538|3.315035|8.892544|17.758586|4.147662|7.363686|6.196167|0.085148|0.106284|0.112942|0.089495|0.096370|0.083341|0.077625|0.111986|0.124184|0.107569|0.114759|0.076190|0.057190|0.057277|0.046913|0.039285|0.033313|0.035185|0.037663|0.036397|0.043987|0.041618|0.053130|0.067712|0.090587|0.215221|0.500000| 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