Version2.0 2019-11-12T14:59:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@H](c1nnnn1CC(=O)OCC)[NH+](Cc2cc3cc(cc(c3[nH]c2=O)C)C)C4CCCCC4 C13500089 RHF 6-31G(d) (6D,7F) CCC[C@H](c1nnnn1CC(=O)OCC)[NH+](Cc2cc3cc(cc(c3[nH]c2=O)C)C)C4CCCCC4 C01[X(C27H39N6O3)] 219 C1 618 CCC[C@H](c1nnnn1CC(=O)OCC)[NH+](C1CCCCC1)Cc1cc2cc(C)cc(c2[nH]c1=O)C CCC[C@H](c1nnnn1CC(=O)OCC)[NH+](C1CCCCC1)Cc1cc2cc(C)cc(c2[nH]c1=O)C CCC[C@@H]([NH+](CC1=Cc2cc(C)cc(C)c2NC1=O)C3CCCCC3)c4nnnn4CC(=O)OCC InChIKey=AIMILACGFWMJOW-HSZRJFAPSA-O InChI=1S/C27H38N6O3/c1-5-10-23(26-29-30-31-33(26)17-24(34)36-6-2)32(22-11-8-7-9-12-22)16-21-15-20-14-18(3)13-19(4)25(20)28-27(21)35/h13-15,22-23H,5-12,16-17H2,1-4H3,(H,28,35)/p+1/t23-/m1/s1 InChI=1/C27H38N6O3/c1-5-10-23(26-29-30-31-33(26)17-24(34)36-6-2)32(22-11-8-7-9-12-22)16-21-15-20-14-18(3)13-19(4)25(20)28-27(21)35/h13-15,22-23H,5-12,16-17H2,1-4H3,(H,28,35)/p+1/t23-/m1/s1/fC27H39N6O3/h28,32H/q+1 CCC[C@H](c1nnnn1CC(=O)OCC)[NH+](Cc2cc3cc(cc(c3[nH]c2=O)C)C)C4CCCCC4 C01[X(C27H39N6O3)] 219 C01 618 CCC[C@H](c1nnnn1CC(=O)OCC)[NH+](C1CCCCC1)Cc1cc2cc(C)cc(c2[nH]c1=O)C CCC[C@H]([C@H]1NNNN1CC(=O)OCC)[NH](C1CCCCC1)Cc1cc2cc(C)cc(c2[nH]c1=O)C CCC[C@H]([C@H]1NNNN1CC(=O)OCC)[NH](CC2=Cc3cc(C)cc(C)c3NC2=O)C4CCCCC4 InChIKey=VSTVKKAETZUWRM-BVAGGSTKSA-N InChI=1S/C27H43N6O3/c1-5-10-23(26-29-30-31-33(26)17-24(34)36-6-2)32(22-11-8-7-9-12-22)16-21-15-20-14-18(3)13-19(4)25(20)28-27(21)35/h13-15,22-23,26,29-32H,5-12,16-17H2,1-4H3,(H,28,35)/t23-,26+/m1/s1 InChI=1/C27H43N6O3/c1-5-10-23(26-29-30-31-33(26)17-24(34)36-6-2)32(22-11-8-7-9-12-22)16-21-15-20-14-18(3)13-19(4)25(20)28-27(21)35/h13-15,22-23,26,29-32H,5-12,16-17H2,1-4H3,(H,28,35)/t23-,26+/m1/s1/f/h28H 4061.0882983904 -1596.2489585 1-A 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1899.54 1931.79 1991.87 1994.03 2007.51 2012.31 2017.11 2029.08 2031.08 2042.59 2048.72 2053.06 2067.64 2089.86 2093.17 2099.84 2113.71 2126.73 2145.68 2161.64 2175.05 2181.35 2202.70 2206.14 2211.88 2217.35 2220.46 2229.71 2258.34 2259.85 2261.54 2263.98 2266.32 2274.54 2283.81 2292.13 2299.58 2306.70 2318.59 2326.92 2334.43 2342.46 2343.27 2346.27 2350.50 2351.33 2354.90 2356.37 2360.37 2361.13 2362.66 2364.48 2368.50 2372.24 2377.61 2385.82 2390.78 2399.16 2402.87 2514.21 2576.20 2605.93 2640.39 2752.30 2878.52 4551.80 4587.69 4599.84 4601.36 4619.69 4621.09 4621.58 4639.08 4639.55 4640.39 4654.33 4658.60 4673.81 4681.05 4694.01 4695.54 4699.12 4701.45 4708.47 4709.91 4716.28 4734.30 4734.63 4738.26 4741.73 4747.14 4755.57 4781.42 4797.83 4820.99 4826.37 4830.42 4832.76 4836.30 4839.40 4840.97 4925.77 5363.88 5549.58 0.698473 0.732399 0.733343 0.628153 -1595.550485 -1595.516560 -1595.515616 -1595.620805 3.528056D-04 MUNgauss RevisionA1.9 retrievium 12-Nov-2019 DUDE CCC[C@H](c1nnnn1CC(=O)OCC)[NH+](Cc2cc3cc(cc(c3[nH]c2=O)C)C)C4CCCCC4 C13500089 RHF 6-31G(d) (6D,10F) C1 495.308326 |X|Y|Z| 130.123588 62.826605 43.346676 70.764994 24 6 7 18 6 |36.858105| |12.456124|36.858105| |7.525219|12.427034|36.858105| |4.848608|7.362106|12.357773|36.858105| |4.612903|6.977536|8.926083|17.705947|0.500000| |3.801105|4.902692|7.618277|12.653615|0.250107|36.858105| |3.438323|4.147182|6.140288|7.678196|0.159298|14.753094|53.358707| |2.881148|3.321471|4.512527|5.338905|0.125927|9.046771|19.417090|53.358707| |2.802886|3.253685|4.306697|5.271036|0.134402|8.873231|12.194908|20.780483|53.358707| |3.235633|3.955842|5.414161|7.478675|0.198432|14.226781|12.190068|12.441066|19.470623|53.358707| |3.007656|3.627313|4.493911|5.823129|0.183898|7.403714|7.279497|7.543105|10.867357|17.908804|36.858105| |3.365125|3.956062|4.699194|5.346016|0.176139|5.818180|5.986865|5.941376|7.573464|10.480710|12.548405|36.858105| |4.202957|4.963524|5.972601|6.110354|0.199401|6.045431|6.190718|5.777765|6.794249|9.239438|7.976558|16.002628|73.516695| |2.851173|3.218516|3.594326|3.954658|0.127565|4.214119|4.677507|4.793250|5.984913|7.275072|8.208077|14.643730|15.247147|73.516695| |2.838382|3.068302|3.256684|3.354264|0.106441|3.403209|3.916713|3.945568|4.650657|5.399837|5.166875|8.076617|12.508456|23.478560|36.858105| |2.325274|2.480232|2.598420|2.702386|0.084074|2.770835|3.291859|3.377442|3.943760|4.374130|4.081147|5.282772|8.115454|14.230887|12.601686|36.858105| |4.200657|6.121120|7.562626|12.520323|0.253775|7.535494|8.334551|6.014088|5.673094|7.103408|4.318160|3.863177|7.392859|5.529597|2.708474|2.281967|53.358707| |4.810956|7.463050|7.699914|9.510668|0.221653|5.752285|6.615749|5.012516|4.775490|5.842803|3.749084|3.552064|6.987044|5.184005|2.616631|2.206353|25.783590|0.500000| |3.703134|4.792802|5.963342|7.383172|0.153387|6.298124|8.808959|6.203391|5.374718|6.062037|3.554032|3.164008|5.984850|4.659300|2.313956|1.991092|16.929082|0.261244|36.858105| |3.440429|4.227855|4.582415|4.988619|0.115744|4.232368|5.889716|4.602684|4.098939|4.501047|2.811780|2.588998|4.900925|3.940667|2.009365|1.758094|10.255493|0.213220|12.660642|36.858105| |3.730394|4.331906|4.421929|4.290656|0.101380|3.627438|5.078182|4.060011|3.629468|3.943737|2.504712|2.385853|4.601209|3.663586|1.907618|1.669811|7.664655|0.174948|7.630910|14.157420|36.858105| |3.137239|3.451321|3.372431|3.271220|0.080995|2.852061|3.979284|3.334874|3.029382|3.242948|2.116909|2.033906|3.883134|3.191829|1.683470|1.495643|5.537098|0.125290|4.965409|7.790302|13.241083|36.858105| |3.092306|3.204657|3.044427|2.833736|0.071228|2.496943|3.482417|2.976127|2.722145|2.892806|1.911412|1.871676|3.597929|2.964856|1.587115|1.415036|4.502884|0.102030|3.819508|5.108923|7.642615|13.558403|36.858105| |2.583690|2.642951|2.505674|2.371302|0.060807|2.127435|2.959461|2.589014|2.391373|2.521066|1.689718|1.656301|3.152818|2.659315|1.431790|1.290957|3.707706|0.082643|3.063172|3.921282|5.091686|7.895060|13.916634|36.858105| |2.279058|2.385930|2.289818|2.237377|0.057859|2.025758|2.812871|2.482487|2.302887|2.421456|1.631242|1.581634|2.974233|2.553121|1.367648|1.241881|3.553735|0.078115|2.935463|3.798577|4.554144|6.939330|8.015786|13.534354|36.858105| |2.281630|2.463252|2.400437|2.414273|0.062258|2.185235|3.032500|2.661769|2.464743|2.598593|1.742961|1.666466|3.111002|2.680148|1.421195|1.289829|3.959259|0.086249|3.329106|4.511639|5.115056|7.841951|6.789512|7.769894|13.859857|36.858105| |2.625989|2.918137|2.880321|2.925351|0.073971|2.605167|3.621897|3.101201|2.842747|3.024292|1.996777|1.893577|3.551401|3.003745|1.577843|1.417533|5.010627|0.109897|4.412653|6.763560|7.867495|13.699545|7.874315|6.803765|8.021060|13.549526|36.858105| |2.526570|2.899584|2.942373|3.146521|0.079591|2.827611|3.919088|3.349304|3.072939|3.277524|2.154793|1.999950|3.700852|3.163785|1.639465|1.474799|5.632992|0.119067|5.066513|7.961938|7.014940|8.000562|5.189966|4.555244|5.213275|7.845551|13.776971|53.358707| |2.246748|2.555051|2.591853|2.798920|0.072081|2.563445|3.544416|3.097516|2.868964|3.037009|2.021471|1.868891|3.421805|2.987578|1.548963|1.406193|4.876138|0.101358|4.205218|5.807032|5.131997|5.797963|4.255006|3.991644|4.787494|7.266446|9.223843|25.998265|0.500000| |2.766464|3.303672|3.484418|3.916584|0.096646|3.494784|4.834785|4.009967|3.645014|3.935836|2.531992|2.301823|4.247503|3.583236|1.827052|1.627940|7.607230|0.153312|7.472331|12.961318|7.831833|6.684557|4.477371|3.747983|3.950991|5.131785|7.785307|19.063518|0.266029|36.858105| |2.515646|3.019104|3.244809|3.834094|0.096634|3.546744|4.865089|4.128464|3.798707|4.087411|2.645162|2.344558|4.235146|3.668311|1.847106|1.657174|7.343666|0.138536|6.658572|8.066236|5.370724|4.693747|3.487011|3.046488|3.240082|4.082238|5.390372|11.572493|0.220494|15.750038|73.516695| |1.970176|2.133876|2.096844|2.154019|0.056340|1.982209|2.742561|2.451054|2.289649|2.399733|1.626504|1.544450|2.847532|2.508184|1.327998|1.217084|3.500594|0.074729|2.882496|3.694131|3.840717|4.989205|4.413469|4.965951|7.563266|12.610784|7.498912|8.933867|0.209343|4.477218|6.895810|36.858105| |2.408900|2.378460|2.236180|2.083450|0.053969|1.888322|2.623492|2.329143|2.165192|2.270065|1.535509|1.522786|2.903899|2.465773|1.341895|1.215711|3.148818|0.069752|2.537130|3.057836|3.798977|4.993993|7.553578|12.614825|7.537031|4.992190|4.420527|4.555502|0.084544|2.899614|4.369623|3.779399|36.858105| |3.296389|4.458794|4.914340|7.330224|0.201835|5.689414|6.394415|5.162837|5.120173|6.317036|4.184255|3.604188|6.494003|5.369214|2.603516|2.249519|16.916070|0.262468|7.478218|5.906080|4.411293|3.526865|2.880698|2.470954|2.453390|2.790008|3.441417|5.548643|0.102790|5.486662|10.742974|2.569983|2.105478|36.858105| |2.767440|3.532466|4.080509|6.014263|0.167314|5.883575|6.736625|5.810455|5.944834|7.186120|4.751115|3.728085|6.321103|5.621828|2.633082|2.312820|10.097393|0.157387|5.890993|4.552325|3.514420|2.911529|2.435756|2.136007|2.140728|2.422618|2.898884|4.686442|0.090211|4.489615|9.514548|2.293355|1.849678|12.482594|36.858105| |2.335926|2.872112|3.127992|4.136171|0.119837|4.023874|4.854271|4.449542|4.612070|5.270460|3.778529|3.091515|5.173688|4.924033|2.356130|2.137694|6.666094|0.117430|4.215115|3.685814|2.958390|2.584708|2.189753|1.970854|2.015479|2.294144|2.666612|4.347047|0.087277|3.943204|8.661271|2.242535|1.716805|7.649062|12.403939|36.858105| |2.335922|2.870505|2.985440|3.823421|0.118003|3.530171|4.144086|3.814138|4.042338|4.722547|3.619942|3.109222|5.201888|5.074447|2.464999|2.251939|5.894707|0.110759|3.539056|3.207037|2.689043|2.392753|2.068076|1.877244|1.912838|2.147068|2.451114|3.871888|0.077758|3.355158|6.896248|2.100136|1.653082|6.510615|7.508043|12.446563|36.858105| |2.644580|3.329090|3.293816|4.138145|0.129767|3.511576|4.082014|3.630108|3.773175|4.480889|3.376805|3.062597|5.343906|4.924789|2.458767|2.207384|6.704248|0.134641|3.817346|3.586450|3.033783|2.697931|2.319462|2.090431|2.121212|2.382169|2.744900|4.295552|0.084831|3.698121|7.270403|2.295315|1.827207|7.618769|6.423512|7.530426|12.445152|36.858105| |3.330584|4.516720|4.474838|6.027438|0.198384|4.554756|5.025375|4.263668|4.404164|5.489285|4.015404|3.676068|6.637995|5.619918|2.777510|2.400670|10.263680|0.209276|4.937352|4.377092|3.648445|3.080522|2.621136|2.293035|2.271054|2.529892|3.004417|4.629241|0.087639|4.144938|7.766921|2.352368|1.991639|12.450428|7.520391|6.444414|7.519459|12.404333|36.858105| |17.578521|8.798402|5.481104|4.019573|0.110178|3.204216|3.963702|3.394059|3.331362|3.811353|2.670582|2.981478|6.424616|4.627747|2.638199|2.201807|5.002607|0.118620|3.250072|3.143815|3.445067|3.020141|3.042177|2.588185|2.278362|2.255300|2.551953|3.303671|0.060366|2.600238|4.201257|1.951192|2.448000|3.028228|2.536225|2.196401|2.234370|2.563157|3.158817|0.500000| |17.568650|8.790320|6.833312|4.538617|0.122764|3.755448|4.605646|3.963391|3.919464|4.505336|3.126295|3.644793|8.372841|5.502387|3.154936|2.537795|5.082871|0.113186|3.299965|2.994482|3.162872|2.696995|2.658335|2.269064|2.026425|2.031228|2.309254|3.059610|0.056231|2.464026|4.061553|1.781297|2.141273|3.008716|2.616444|2.217686|2.222555|2.464067|3.052196|0.301774|0.500000| |17.548641|8.764822|6.827727|4.464314|0.112464|3.650555|4.714292|3.927927|3.717788|4.170941|2.772918|3.010264|6.491941|4.562458|2.528356|2.108680|5.475968|0.126213|3.797094|3.599023|4.074899|3.412705|3.442419|2.820588|2.432551|2.405494|2.776611|3.565130|0.064153|2.841755|4.516915|2.046565|2.640899|3.115831|2.642157|2.230049|2.188359|2.448379|3.031366|0.301736|0.301596|0.500000| |8.863457|17.531271|8.848987|6.868188|0.213778|4.642816|5.141376|4.263309|4.334288|5.394732|3.857680|4.375099|9.878901|6.360436|3.449465|2.743885|7.601037|0.183087|4.163289|3.682483|3.646741|3.016583|2.800527|2.375898|2.185864|2.267818|2.643081|3.631310|0.066475|3.026285|5.053012|2.003744|2.155029|4.471663|3.570418|2.954191|3.059596|3.601336|4.947156|0.212876|0.211890|0.172946|0.500000| |8.911896|17.472766|8.722205|6.554924|0.169175|4.413377|5.250662|4.191881|4.043357|4.818427|3.233003|3.374504|7.102125|5.008172|2.670534|2.221399|9.068435|0.260315|5.279820|5.005701|5.283976|4.134451|3.766937|3.034595|2.724154|2.828401|3.418545|4.569572|0.080709|3.812130|6.002807|2.405682|2.668497|4.830423|3.622090|2.976766|2.970076|3.555842|4.862350|0.215558|0.173663|0.211102|0.302988|0.500000| |6.812795|8.774148|17.572132|8.793527|0.174493|6.837142|8.884887|6.307197|5.628421|6.548042|3.858371|3.887443|8.313179|5.485123|2.816809|2.310408|9.383902|0.192049|6.622686|5.084218|5.102971|3.748558|3.385188|2.723764|2.452395|2.558420|3.105560|4.251326|0.075394|3.693020|5.954281|2.200586|2.416340|4.458492|3.778220|2.925681|2.723305|2.965324|3.867840|0.139749|0.167646|0.202196|0.173037|0.208868|0.500000| |7.022022|8.911702|17.634906|9.027317|0.214374|7.350533|8.063056|6.359903|6.292645|7.901331|4.908341|5.543884|13.801683|7.296271|3.744268|2.892978|7.584517|0.151565|4.647746|3.680854|3.577139|2.856352|2.641296|2.224517|2.040304|2.119649|2.485117|3.447465|0.063068|2.940224|4.968439|1.877012|2.025002|4.085873|3.634579|2.854276|2.749850|2.952983|3.846753|0.142458|0.209437|0.173141|0.211955|0.173165|0.305239|0.500000| |2.908282|3.587604|4.249742|5.789812|0.197133|6.529596|6.448012|6.352955|8.259413|12.390609|17.586189|8.978816|11.557891|12.391591|4.691893|3.855221|6.230031|0.110053|3.617791|2.892636|2.537602|2.154483|1.928188|1.710018|1.664647|1.792811|2.056293|3.056478|0.058820|2.653259|5.006002|1.683587|1.545045|4.806773|5.656933|4.536050|4.476187|4.052826|4.790290|0.072979|0.082167|0.073970|0.108405|0.091100|0.100686|0.121956|0.500000| |2.600165|3.024597|3.647958|4.463365|0.134211|5.692448|6.328043|7.167695|10.820684|12.726662|17.676812|8.875955|10.629702|13.736505|4.903745|4.154112|4.847205|0.086987|3.086130|2.499296|2.240361|1.923628|1.747888|1.560529|1.513772|1.614699|1.830932|2.688359|0.051959|2.294149|4.292039|1.519931|1.426213|3.525723|4.116595|3.452715|3.280977|2.977653|3.370696|0.064933|0.075370|0.067583|0.088216|0.076112|0.090598|0.110374|0.303017|0.500000| |2.958926|3.102783|3.330873|3.294358|0.101169|3.384304|3.975125|4.023728|4.678677|5.291613|4.733590|7.279885|12.696960|16.500441|17.642208|8.798985|3.586085|0.070905|2.291198|1.989325|1.908491|1.682077|1.596979|1.437643|1.364300|1.409665|1.564221|2.195543|0.042182|1.792048|3.193740|1.310675|1.353818|2.467421|2.475523|2.192077|2.251936|2.261806|2.576320|0.075566|0.093774|0.073654|0.094789|0.074061|0.080901|0.109722|0.114725|0.125422|0.500000| |3.086853|3.356523|3.419911|3.480464|0.113436|3.353696|3.813499|3.728155|4.290376|5.099341|4.744927|7.228148|12.591067|16.486705|17.631072|8.796505|3.843295|0.077145|2.367600|2.074228|1.978129|1.747602|1.649884|1.486766|1.417511|1.471043|1.633917|2.303259|0.044313|1.881232|3.362820|1.370777|1.393050|2.719015|2.676410|2.402081|2.564359|2.622094|2.990476|0.080746|0.095253|0.074687|0.108646|0.080657|0.080671|0.107809|0.126203|0.119110|0.301572|0.500000| |2.248622|2.346423|2.408070|2.446317|0.075328|2.468720|2.974006|3.025372|3.451119|3.785943|3.375279|4.278026|7.028414|10.186401|8.931061|17.570810|2.848232|0.056877|1.841312|1.646812|1.580184|1.426227|1.360350|1.246284|1.196236|1.235353|1.349883|1.897921|0.036953|1.525925|2.744258|1.165311|1.181251|2.052082|2.079267|1.934545|2.043371|2.029698|2.197880|0.059848|0.068553|0.056640|0.071989|0.058528|0.059917|0.074236|0.089346|0.094088|0.211380|0.211355|0.500000| |2.214657|2.398398|2.491239|2.649416|0.083452|2.691383|3.180745|3.247540|3.790058|4.238901|4.017506|4.903857|7.390471|12.830144|8.852234|17.582606|3.099246|0.061111|1.973012|1.749464|1.650451|1.483307|1.397052|1.278387|1.237020|1.290265|1.416305|2.017018|0.039417|1.636142|2.982004|1.223938|1.200177|2.297546|2.380055|2.239824|2.402774|2.332347|2.490684|0.058704|0.065995|0.055779|0.074228|0.060474|0.061468|0.075399|0.110554|0.113776|0.172852|0.211017|0.300927|0.500000| |2.166363|2.300756|2.456656|2.564738|0.078188|2.707633|3.273523|3.438400|4.051117|4.348404|4.011044|4.921341|7.414425|12.839443|8.858553|17.587163|2.959586|0.057866|1.928265|1.697676|1.609453|1.442672|1.364579|1.246813|1.201204|1.248251|1.370201|1.943464|0.037893|1.576433|2.862085|1.180557|1.174885|2.139432|2.235186|2.066251|2.139476|2.067308|2.235401|0.056629|0.065514|0.055356|0.069328|0.057543|0.061584|0.076068|0.102576|0.119258|0.211249|0.172881|0.300966|0.300598|0.500000| |4.047455|5.072095|6.890423|7.426293|0.147046|6.770314|10.517252|6.917586|5.710815|6.280302|3.563310|3.238763|6.263626|4.722467|2.360175|2.014224|12.280660|0.210360|17.745114|8.928377|7.202032|4.697922|3.809127|3.020672|2.813961|3.086774|3.977399|5.806262|0.099726|5.614847|8.841580|2.646538|2.549783|5.568206|4.754110|3.522600|3.041655|3.237027|4.118132|0.095520|0.100789|0.119307|0.117170|0.148032|0.245911|0.148449|0.096849|0.086211|0.066022|0.066604|0.051876|0.054750|0.054433|0.500000| |3.117050|3.888211|4.814209|6.236811|0.137121|6.231907|9.263348|6.782506|5.768869|6.267784|3.618362|3.088215|5.644441|4.594704|2.248912|1.959210|12.254323|0.184673|17.737570|8.902095|5.749306|4.208954|3.306025|2.752784|2.705313|3.103016|3.995514|6.539543|0.115882|7.177142|13.276883|2.784066|2.304584|7.239790|6.797274|4.725528|3.705140|3.775509|4.617448|0.077046|0.079478|0.088123|0.097880|0.114739|0.143782|0.111863|0.102864|0.089053|0.061537|0.063102|0.050034|0.054188|0.053190|0.304668|0.500000| |4.459867|5.035954|5.153430|4.564187|0.105713|3.816773|5.369116|4.235361|3.764084|4.098021|2.582276|2.507016|4.936003|3.817436|2.001360|1.734650|7.498794|0.173291|7.040836|9.066629|17.677498|8.829930|7.063091|4.692141|3.971095|4.159750|5.631917|6.837170|0.110506|5.572990|7.611967|3.222090|3.731636|4.074920|3.296753|2.738922|2.522835|2.830266|3.464266|0.111115|0.102621|0.142433|0.111752|0.169328|0.176714|0.113922|0.071450|0.063823|0.056206|0.057684|0.045711|0.047218|0.046402|0.215417|0.145007|0.500000| |3.488812|3.480420|3.268525|2.920172|0.072995|2.563216|3.578215|3.047047|2.782426|2.959425|1.950582|1.934241|3.763561|3.053190|1.644522|1.457603|4.488609|0.102288|3.749534|4.702188|7.030087|8.890836|17.703353|8.963493|5.662710|4.907657|5.626890|5.734195|0.097990|3.906956|5.574465|3.532840|6.954255|2.792292|2.367110|2.102377|1.996376|2.233935|2.562462|0.095086|0.082310|0.111863|0.082695|0.112755|0.102759|0.078957|0.054143|0.049414|0.046303|0.047532|0.039027|0.039735|0.039012|0.108127|0.088940|0.214471|0.500000| |2.043747|2.118019|2.031416|1.988865|0.051931|1.818520|2.521321|2.254390|2.103936|2.201785|1.495613|1.453921|2.722179|2.365760|1.272840|1.163496|3.107069|0.067745|2.523588|3.140522|3.622230|4.985030|5.696042|8.909294|17.700613|9.035751|5.686626|5.725612|0.112912|3.300087|5.003064|7.069490|7.066165|2.176000|1.928128|1.839495|1.758150|1.935218|2.041098|0.057129|0.051029|0.060215|0.054521|0.066221|0.059928|0.050916|0.042394|0.038785|0.035260|0.036608|0.031225|0.032227|0.031297|0.067495|0.065568|0.090339|0.124591|0.500000| |1.883391|2.045700|2.049369|2.126933|0.055346|1.991124|2.786896|2.506222|2.328012|2.416718|1.628694|1.532511|2.808883|2.488874|1.310865|1.203975|3.450324|0.072196|2.897061|3.658708|3.682375|4.556026|3.947901|4.259574|5.889267|8.811418|6.636840|8.899243|0.223774|4.562347|7.231231|17.530561|3.338453|2.543833|2.320260|2.274238|2.091490|2.240101|2.286210|0.051312|0.047666|0.054418|0.053349|0.063319|0.060013|0.051183|0.046739|0.042492|0.035954|0.037379|0.031938|0.033627|0.032578|0.073879|0.079547|0.085954|0.090007|0.153642|0.500000| |1.967920|2.156940|2.103887|2.189929|0.057907|1.999025|2.728765|2.439558|2.300037|2.430017|1.660896|1.574408|2.892151|2.562444|1.354983|1.243657|3.591838|0.076959|2.883402|3.661061|3.677956|4.554861|3.943507|4.253277|5.879848|8.808354|6.641152|8.920003|0.223235|4.568639|7.245994|17.528879|3.332797|2.710636|2.402241|2.392669|2.263502|2.500281|2.514141|0.054375|0.049422|0.056067|0.056901|0.067802|0.060478|0.052234|0.048184|0.043034|0.036941|0.038980|0.033042|0.034902|0.033415|0.072288|0.077566|0.085665|0.089889|0.153332|0.301011|0.500000| |1.828512|1.950040|1.904500|1.936243|0.050963|1.790995|2.476528|2.234375|2.096213|2.188547|1.493437|1.428019|2.632937|2.333990|1.243715|1.145104|3.079227|0.065782|2.497036|3.094115|3.265786|4.165085|3.971001|4.736521|7.285732|8.882182|5.554749|6.540130|0.146837|3.579205|5.651981|17.612835|3.832745|2.253974|2.031738|1.996302|1.891291|2.057673|2.098499|0.050660|0.046165|0.052794|0.051080|0.060538|0.055389|0.047822|0.042806|0.038937|0.034155|0.035655|0.030575|0.031967|0.030871|0.064750|0.067021|0.078739|0.090358|0.226484|0.302898|0.302833|0.500000| |2.164086|2.137797|2.046135|1.921865|0.049771|1.770512|2.481945|2.225454|2.063893|2.143167|1.448635|1.430907|2.712876|2.326086|1.264762|1.151557|2.884994|0.062913|2.343848|2.784267|3.362610|4.291813|5.892094|8.848667|6.713299|4.593481|3.972736|4.212252|0.079655|2.683596|4.102902|3.650769|17.555480|1.943108|1.734853|1.618092|1.549601|1.691670|1.827841|0.060572|0.054202|0.065771|0.054101|0.065595|0.061526|0.051960|0.040387|0.037614|0.035487|0.036288|0.031087|0.031568|0.031039|0.065675|0.060082|0.091456|0.151686|0.192433|0.091849|0.087715|0.105507|0.500000| |2.294357|2.264158|2.098964|1.966257|0.051561|1.774690|2.438974|2.177032|2.042968|2.150821|1.470024|1.463799|2.785810|2.384179|1.303441|1.185413|2.963119|0.065920|2.334386|2.782401|3.356667|4.288615|5.885848|8.845901|6.712588|4.590768|3.969906|4.209288|0.079532|2.681628|4.100624|3.647967|17.553468|2.012122|1.766435|1.657289|1.613959|1.793502|1.935901|0.065779|0.056808|0.068736|0.057771|0.070562|0.061992|0.053030|0.041273|0.037960|0.036416|0.037723|0.032084|0.032594|0.031741|0.064502|0.059159|0.091067|0.151412|0.192490|0.087788|0.091590|0.105472|0.302207|0.500000| |2.617942|2.520474|2.353095|2.144799|0.055384|1.939270|2.695628|2.387500|2.216870|2.325922|1.570520|1.570495|3.018631|2.537155|1.386975|1.251285|3.188770|0.070904|2.555298|3.016121|3.800540|4.716290|7.223840|8.844987|5.555116|4.139087|3.944549|4.193805|0.077071|2.766917|4.185816|3.207355|17.587964|2.095959|1.839100|1.690094|1.630744|1.802279|1.987998|0.074095|0.064397|0.081177|0.062793|0.078084|0.071156|0.059384|0.043630|0.040438|0.039075|0.040025|0.033842|0.034162|0.033568|0.072646|0.063877|0.108631|0.220092|0.141211|0.080546|0.080429|0.088626|0.301954|0.301851|0.500000| |3.036220|3.946525|4.189966|5.535675|0.146527|4.553851|5.550558|4.559987|4.404939|5.142071|3.407228|2.999346|5.429284|4.586475|2.272301|1.997234|12.569164|0.227814|7.506233|6.983536|4.902545|3.990130|3.141838|2.701070|2.737983|3.210857|4.057111|6.955950|0.128367|7.330652|15.163900|2.971484|2.253504|17.694544|9.007084|7.114512|5.891777|7.055775|8.937976|0.078795|0.076105|0.081450|0.107230|0.123624|0.111052|0.097204|0.105707|0.082597|0.060307|0.065771|0.051156|0.056630|0.053024|0.148167|0.204628|0.118360|0.082328|0.066877|0.081728|0.088268|0.070978|0.057691|0.059782|0.061470|0.500000| |2.646542|3.297188|3.921297|5.553061|0.142098|5.996221|7.592458|6.549165|6.335817|7.125739|4.378972|3.423066|5.842867|5.172677|2.438035|2.154529|9.315153|0.143273|6.530152|4.849407|3.651585|3.001151|2.488567|2.176703|2.186604|2.489179|3.000151|4.917912|0.094585|4.830528|10.582742|2.356592|1.876534|8.788598|17.602330|8.842024|5.492404|4.824963|5.477039|0.066876|0.069619|0.071732|0.089701|0.093900|0.105497|0.097409|0.134973|0.108913|0.064739|0.067879|0.054035|0.060912|0.058609|0.145712|0.243407|0.094457|0.066959|0.054572|0.067285|0.067701|0.057739|0.049235|0.049347|0.051747|0.214451|0.500000| |2.824601|3.603086|4.267974|6.513427|0.194081|6.879489|7.224633|6.457060|7.111540|9.280371|6.392843|4.596428|7.462089|6.777681|3.045502|2.641363|9.002431|0.143002|5.073147|3.875433|3.141467|2.613793|2.241619|1.971155|1.952932|2.168452|2.554201|3.989347|0.076741|3.672281|7.375034|2.046104|1.733194|8.815941|17.560568|8.866635|6.809034|5.686956|6.831724|0.071312|0.075742|0.073914|0.103466|0.098550|0.106336|0.109548|0.229756|0.147971|0.078518|0.085131|0.064826|0.075692|0.070921|0.122551|0.155634|0.084563|0.061454|0.049176|0.057296|0.059111|0.050995|0.045226|0.046057|0.048270|0.174978|0.302502|0.500000| |2.233566|2.712724|2.910915|3.707495|0.103981|3.559933|4.468724|4.063252|4.080812|4.532676|3.173058|2.678695|4.575934|4.289744|2.097122|1.913147|6.261647|0.113235|4.227743|3.911975|3.095255|2.751811|2.298294|2.081782|2.164313|2.511221|2.924262|4.932909|0.101369|4.488350|10.545260|2.493966|1.794198|6.922793|8.866256|17.541630|8.821512|6.752059|5.650989|0.058742|0.058331|0.059937|0.076231|0.079755|0.077340|0.073021|0.101488|0.081343|0.054808|0.059516|0.048641|0.055331|0.051478|0.096388|0.132858|0.077637|0.060363|0.054800|0.070771|0.074766|0.061000|0.047046|0.048110|0.048602|0.212415|0.216126|0.174288|0.500000| |2.126338|2.556680|2.816127|3.638777|0.104716|3.752156|4.633603|4.439284|4.674309|5.153113|3.744922|2.997899|4.906698|4.864784|2.308395|2.127474|5.519757|0.097656|3.649659|3.183432|2.613011|2.308165|1.984018|1.801019|1.841909|2.079101|2.379563|3.825428|0.077573|3.386148|7.337146|2.049688|1.584700|5.553606|8.868301|17.571432|8.812183|5.489508|4.842725|0.055474|0.056814|0.056661|0.072897|0.072397|0.073808|0.073072|0.123717|0.098833|0.059597|0.064365|0.053225|0.062141|0.057805|0.087782|0.115660|0.067973|0.053144|0.047069|0.058267|0.060236|0.051147|0.041805|0.042470|0.043389|0.144131|0.214342|0.216043|0.303776|0.500000| |2.079040|2.490071|2.557169|3.143289|0.095160|2.953218|3.568022|3.341756|3.520562|3.988614|3.063789|2.684343|4.495785|4.488619|2.220106|2.070977|4.795533|0.092113|3.022519|2.829501|2.415747|2.202386|1.921190|1.769880|1.821827|2.044538|2.290472|3.607376|0.073932|3.032214|6.235862|2.036593|1.566872|4.888349|5.482538|8.831526|17.568072|8.839808|5.489296|0.055810|0.055110|0.054451|0.073320|0.071765|0.065739|0.066075|0.102010|0.079290|0.056486|0.063947|0.052635|0.061684|0.054890|0.073197|0.088091|0.062746|0.051257|0.046942|0.056451|0.061415|0.051267|0.040983|0.042720|0.042717|0.131777|0.123424|0.139683|0.214498|0.211153|0.500000| |2.348244|2.875924|3.015139|3.874112|0.124132|3.649384|4.184891|3.925180|4.295842|5.107405|4.147719|3.522239|5.718487|5.832769|2.778354|2.544563|5.554509|0.103885|3.286649|2.907982|2.485469|2.201432|1.931379|1.751927|1.766013|1.953575|2.216689|3.425360|0.068232|2.941753|5.881811|1.897479|1.559888|5.661725|6.746429|8.839793|17.496004|8.848687|6.753025|0.062166|0.063013|0.060517|0.086744|0.080496|0.075175|0.078888|0.149916|0.104442|0.069185|0.080159|0.063281|0.076577|0.066817|0.080689|0.094932|0.066094|0.052408|0.045242|0.052463|0.056195|0.047891|0.040678|0.042300|0.043051|0.134245|0.139218|0.199813|0.173401|0.215021|0.303867|0.500000| |2.514250|3.110102|3.047157|3.703357|0.110513|3.168676|3.811870|3.379326|3.435003|3.971830|2.909175|2.656963|4.695613|4.288316|2.171958|1.965090|6.282324|0.129220|3.800391|3.780867|3.182438|2.894693|2.456719|2.231413|2.303464|2.633076|3.031458|4.848140|0.097298|4.112310|8.180361|2.570069|1.928073|6.882031|5.629193|6.758252|8.840533|17.527603|8.846344|0.068241|0.064358|0.065666|0.090907|0.094803|0.078238|0.075187|0.093634|0.072367|0.056265|0.063975|0.050682|0.057215|0.051488|0.088262|0.104421|0.080391|0.064616|0.058292|0.069332|0.079334|0.063401|0.049517|0.052732|0.052267|0.209703|0.126088|0.131332|0.197659|0.138875|0.215407|0.173685|0.500000| |2.560288|3.159471|3.030273|3.643746|0.116517|3.104463|3.618722|3.265435|3.426676|4.047204|3.143425|2.955046|5.163185|4.868140|2.480613|2.248983|5.560552|0.115272|3.228423|3.077097|2.703517|2.449263|2.154699|1.962828|1.984147|2.193383|2.476129|3.766802|0.074701|3.129197|5.969626|2.119318|1.739462|5.537474|4.832629|5.487126|8.801196|17.569971|8.857953|0.070109|0.066742|0.065125|0.097363|0.092735|0.075267|0.076854|0.104097|0.077642|0.062806|0.074565|0.057836|0.066709|0.057873|0.078495|0.087534|0.071136|0.058034|0.050736|0.057018|0.064123|0.053470|0.044702|0.047832|0.047783|0.143111|0.106520|0.127571|0.138661|0.123123|0.211032|0.215166|0.303665|0.500000| 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