Version2.2 2021-02-10T21:29:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 04-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c(n1c2ccc3c(c2)OCCO3)C)C(=O)NC[C@H]4CC[NH+](C4)C(C)C C67633689 RHF 6-31G(d) (6D,7F) Cc1cc(c(n1c2ccc3c(c2)OCCO3)C)C(=O)NC[C@H]4CC[NH+](C4)C(C)C C01[X(C23H32N3O3)] 177 C1 499 O=C(c1cc(n(c1C)c1ccc2c(c1)OCCO2)C)NC[C@H]1CC[NH+](C1)C(C)C O=C(c1cc(n(c1C)c1ccc2c(c1)OCCO2)C)NC[C@H]1CC[NH+](C1)C(C)C CC(C)[NH+]1CC[C@H](CNC(=O)c2cc(C)n(c2C)c3ccc4OCCOc4c3)C1 InChIKey=GNJVXCNMWWMZOO-GOSISDBHSA-O InChI=1S/C23H31N3O3/c1-15(2)25-8-7-18(14-25)13-24-23(27)20-11-16(3)26(17(20)4)19-5-6-21-22(12-19)29-10-9-28-21/h5-6,11-12,15,18H,7-10,13-14H2,1-4H3,(H,24,27)/p+1/t18-/m1/s1 InChI=1/C23H31N3O3/c1-15(2)25-8-7-18(14-25)13-24-23(27)20-11-16(3)26(17(20)4)19-5-6-21-22(12-19)29-10-9-28-21/h5-6,11-12,15,18H,7-10,13-14H2,1-4H3,(H,24,27)/p+1/t18-/m1/s1/fC23H32N3O3/h24-25H/q+1 Cc1cc(c(n1c2ccc3c(c2)OCCO3)C)C(=O)NC[C@H]4CC[NH+](C4)C(C)C C01[X(C23H32N3O3)] 177 C01 499 O=C(c1cc(n(c1C)c1ccc2c(c1)OCCO2)C)NC[C@H]1CC[NH+](C1)C(C)C CC([NH]1CC[C@@H](C1)CNC(=O)[C]1[CH]=C(N([C]1C)[C]1[CH][CH][C]2[C]([CH]1)OCCO2)C)C C[C]1[C](C=C(C)N1[C]2[CH][CH][C]3OCCO[C]3[CH]2)C(=O)NC[C@H]4CC[NH](C4)C(C)C InChIKey=SYVMZYMAXVZROC-GOSISDBHSA-N InChI=1S/C23H32N3O3/c1-15(2)25-8-7-18(14-25)13-24-23(27)20-11-16(3)26(17(20)4)19-5-6-21-22(12-19)29-10-9-28-21/h5-6,11-12,15,18,25H,7-10,13-14H2,1-4H3,(H,24,27)/t18-/m1/s1 InChI=1/C23H32N3O3/c1-15(2)25-8-7-18(14-25)13-24-23(27)20-11-16(3)26(17(20)4)19-5-6-21-22(12-19)29-10-9-28-21/h5-6,11-12,15,18,25H,7-10,13-14H2,1-4H3,(H,24,27)/t18-/m1/s1/f/h24H 2721.8639061506 -1277.359844 1-A 21711.4367 107 392 499 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65441 -20.65341 -20.60705 -15.82714 -15.68540 -15.67322 -11.43489 -11.43407 -11.42498 -11.41002 -11.37542 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 3864.7456 35946.8796 37582.2620 0.99998 -0.00565 0.00016 0.00565 0.99998 0.00105 -0.00016 -0.00105 1.00000 1 0.02241 0.00241 0.00230 0.46698 0.05021 0.04802 22.50 27.63 31.18 45.74 57.35 81.98 89.09 117.36 149.72 160.50 171.68 192.86 226.72 246.94 254.16 275.18 299.90 312.82 313.78 361.62 376.60 395.46 419.12 448.61 485.66 499.16 506.21 511.55 522.89 554.18 571.43 591.77 640.60 642.68 668.26 701.59 715.24 737.45 741.41 755.88 808.22 818.24 883.56 909.33 932.86 985.54 1005.47 1044.29 1047.66 1067.52 1088.22 1140.13 1169.98 1194.46 1205.77 1228.61 1250.13 1285.16 1304.14 1347.17 1351.91 1367.27 1383.96 1415.48 1430.18 1450.54 1476.58 1480.45 1494.06 1506.35 1510.31 1541.62 1549.26 1574.94 1584.54 1606.43 1627.60 1659.61 1660.07 1683.24 1694.28 1703.18 1706.55 1729.41 1732.21 1753.93 1785.57 1786.12 1793.27 1830.11 1832.24 1845.57 1863.76 1898.36 1912.67 1933.31 1938.03 1965.93 2003.65 2006.80 2024.53 2037.36 2046.21 2081.54 2095.06 2098.83 2117.30 2132.29 2148.48 2157.07 2167.06 2189.51 2212.71 2220.76 2235.16 2242.85 2252.66 2257.12 2261.76 2266.84 2272.89 2274.80 2287.09 2309.19 2335.44 2335.94 2339.85 2349.31 2352.76 2358.16 2360.98 2363.96 2372.10 2380.37 2383.26 2385.62 2385.98 2405.68 2421.48 2440.13 2474.63 2560.20 2573.61 2615.24 2712.17 4625.26 4627.31 4632.90 4635.04 4635.44 4648.92 4652.43 4658.94 4694.17 4705.59 4706.56 4709.31 4730.16 4735.37 4736.25 4744.25 4749.21 4752.88 4768.05 4777.13 4777.79 4779.07 4815.54 4835.13 4846.97 4853.31 4868.45 4887.18 4896.32 4909.21 5336.15 5609.47 0.570574 0.596960 0.597905 0.510920 -1276.789270 -1276.762884 -1276.761940 -1276.848924 2.917458D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE Cc1cc(c(n1c2ccc3c(c2)OCCO3)C)C(=O)NC[C@H]4CC[NH+](C4)C(C)C C67633689 RHF 6-31G(d) (6D,10F) C1 398.244367 |X|Y|Z| 41.534717 27.963727 138.578688 54.396078 23 6 7 8 18 3 2 |36.858105| |12.729912|36.858105| |7.384698|14.131288|36.858105| |5.111714|8.460959|13.245203|36.858105| |5.183116|8.460692|8.426723|13.869754|36.858105| |7.544782|13.758823|8.641749|8.639884|13.998940|53.358707| |6.351340|7.643545|5.316313|5.305394|7.687343|18.130109|36.858105| |5.218123|5.666869|4.290854|4.295171|5.731160|10.627445|13.746971|36.858105| |4.101297|4.136944|3.306721|3.304182|4.155837|7.001357|7.959071|13.778864|36.858105| |3.767945|3.729716|3.016898|3.008356|3.727060|6.175719|6.881126|7.936188|13.764600|36.858105| |4.129529|4.156852|3.317358|3.303523|4.141832|7.005226|7.949920|6.866828|7.934203|13.689416|36.858105| |5.287597|5.727971|4.317961|4.295437|5.696677|10.660053|13.767358|7.931142|6.881803|7.931792|13.771294|36.858105| |3.446234|3.416090|2.848184|2.834496|3.396767|5.419335|5.262688|4.616982|5.223626|7.957855|14.088800|8.098094|73.516695| |2.813536|2.777673|2.382701|2.392289|2.813945|4.327852|4.043265|3.881770|4.676574|7.059518|8.180419|5.303677|24.023615|36.858105| |2.800384|2.688609|2.287309|2.262917|2.638760|4.120204|3.887275|4.040366|5.301277|8.181336|7.064888|4.679924|14.168467|12.589152|36.858105| |3.042349|2.962525|2.488037|2.481499|2.959435|4.672653|4.624893|5.258031|8.089182|14.102745|7.967622|5.226689|12.093201|7.972056|13.517095|73.516695| |3.807953|5.184110|5.091578|7.281622|12.713933|10.401771|6.424494|5.326399|4.143145|3.769694|4.113913|5.262603|6.075880|2.909632|2.686083|5.404577|36.858105| |3.730733|5.188928|7.328150|13.017539|7.543953|7.154743|3.846470|3.320761|2.700742|2.495181|2.699482|3.318743|4.257979|2.077100|1.960962|3.778836|5.922377|36.858105| |3.125665|4.127881|5.149270|8.020885|6.412150|6.076867|3.504615|3.120583|2.590037|2.394950|2.559209|3.066725|4.062644|2.014216|1.897345|3.667575|6.179506|15.695911|73.516695| |3.461229|4.492718|6.473999|7.931188|5.155979|5.669532|3.186952|2.794772|2.334492|2.184124|2.358597|2.836937|3.797465|1.867068|1.770901|3.364297|4.183682|13.897233|15.169938|53.358707| |2.748569|3.359018|4.350162|5.094910|3.865101|4.372944|2.608261|2.340354|2.011841|1.902618|2.040130|2.385387|3.345598|1.672471|1.584223|2.984955|3.443025|7.817842|12.515747|18.005254|36.858105| |2.448488|2.899597|3.620541|4.065151|3.242131|3.773297|2.309350|2.139327|1.856634|1.738330|1.827228|2.094765|2.992433|1.517243|1.456400|2.755981|2.956721|5.620464|9.798135|10.345288|12.346031|36.858105| |2.463370|2.856430|3.568706|3.774474|3.008315|3.614619|2.219345|2.063917|1.796033|1.681310|1.763196|2.014733|2.891944|1.466831|1.416074|2.672617|2.686732|4.837322|7.949221|9.120808|8.859260|17.590857|0.500000| |2.454659|2.928785|3.584484|4.151955|3.403260|3.905157|2.401747|2.274938|1.962648|1.807015|1.870015|2.133998|3.025220|1.542628|1.493101|2.861156|3.170896|5.651753|10.715220|8.577283|7.355862|12.428588|0.244744|36.858105| |2.184692|2.591785|3.054877|3.640463|3.161965|3.584880|2.260597|2.149428|1.881112|1.745807|1.805424|2.038267|2.942634|1.513169|1.455531|2.784161|3.136940|4.889828|10.540454|6.741672|6.025255|7.960708|0.159425|12.573643|36.858105| |1.946798|2.256536|2.633002|3.015301|2.637483|3.076852|1.968668|1.864382|1.656842|1.559143|1.619948|1.812083|2.678658|1.383953|1.327812|2.510918|2.603651|3.893873|7.840812|5.748288|5.604876|7.758387|0.161091|8.034736|12.586315|53.358707| |1.830333|2.091880|2.412311|2.702919|2.391219|2.838099|1.834288|1.756774|1.570630|1.474335|1.520390|1.687135|2.515663|1.307063|1.262000|2.387454|2.356151|3.361196|6.601614|4.937699|4.541801|6.362869|0.147014|7.029677|9.339780|25.744754|0.500000| |2.059166|2.381578|2.842498|3.173345|2.681511|3.162220|1.996028|1.864372|1.649727|1.560404|1.636397|1.845150|2.714272|1.391544|1.332353|2.504501|2.551633|4.139255|7.723760|6.780530|7.544163|12.360436|0.244565|7.905300|7.837389|17.013586|0.257414|36.858105| |1.772542|2.039261|2.327416|2.672290|2.413384|2.825190|1.840004|1.740043|1.565889|1.489615|1.552304|1.721187|2.592841|1.347967|1.284807|2.415534|2.454886|3.353474|6.878741|4.766701|4.480314|5.133053|0.114954|5.069571|7.430116|17.112405|0.259228|7.439193|36.858105| |1.597430|1.803416|2.038259|2.270027|2.059790|2.468990|1.625054|1.540105|1.399913|1.340805|1.396873|1.535866|2.354002|1.229790|1.174181|2.191319|2.072198|2.749354|5.380151|4.003916|3.706611|4.233197|0.102109|3.943563|4.913726|10.430650|0.202957|6.278874|12.480688|36.858105| |1.676847|1.921047|2.148512|2.477313|2.307290|2.706482|1.791036|1.717972|1.557533|1.476578|1.523632|1.672436|2.540795|1.332546|1.274459|2.407185|2.414457|3.015111|6.317237|4.077117|3.546399|3.956648|0.092113|4.317178|6.438487|10.381547|0.195572|4.898586|12.486024|7.556809|36.858105| |17.561629|8.863466|5.808787|4.422085|4.656110|9.045064|6.322853|4.975339|4.139064|4.042441|4.663917|5.992943|7.050023|3.136333|3.078524|5.788391|3.598880|3.341930|5.083268|4.235076|2.533498|2.239252|0.062260|2.220408|2.013011|2.471200|0.047361|1.918092|1.676328|1.519928|1.588155|0.500000| |17.560879|8.865224|5.805286|4.431442|4.675454|9.085273|6.350637|5.912440|4.629665|4.047846|4.173470|5.049757|6.044447|2.839135|2.926964|5.801595|3.610380|3.345507|5.137401|4.184657|2.495166|2.279628|0.063680|2.334020|2.088302|2.521856|0.048777|1.933797|1.687931|1.522171|1.614839|0.302360|0.500000| |17.595714|8.994918|6.995265|4.658854|4.365505|7.632259|4.696812|4.068878|3.348927|3.114746|3.367616|4.108694|5.209389|2.454444|2.445381|4.643406|3.290257|3.581265|5.280650|4.756951|2.786848|2.502180|0.071308|2.469649|2.162958|2.652515|0.051100|2.092115|1.760887|1.599883|1.650833|0.301497|0.301410|0.500000| |6.500108|8.878676|17.772012|8.433968|5.770906|8.008346|4.170407|3.544758|2.850508|2.628837|2.856324|3.558698|4.472876|2.139697|2.068407|3.949886|4.005555|6.358127|8.093215|9.128605|4.531719|3.826845|0.109158|3.657686|3.017674|3.614825|0.068040|2.950277|2.315579|2.054997|2.107111|0.143883|0.144159|0.199500|0.500000| |5.030200|5.584490|4.410712|4.429431|5.683287|9.760378|8.920743|17.732897|8.913112|5.644101|4.950022|5.646568|6.512488|3.199085|3.357930|7.542935|5.174647|3.452590|5.780740|3.942644|2.415507|2.245774|0.060296|2.436073|2.278191|2.655611|0.051306|1.940311|1.800036|1.586075|1.783404|0.124824|0.163784|0.112563|0.102009|0.500000| |3.528721|3.512438|2.910141|2.909895|3.529937|5.659168|5.643213|8.878799|17.741218|8.998079|5.662229|4.958744|7.514563|4.064482|4.849519|13.237816|3.565577|2.445368|4.215337|2.910176|1.866107|1.749086|0.047129|1.864065|1.791620|2.151357|0.041910|1.564016|1.494192|1.340216|1.496921|0.097160|0.112289|0.082809|0.071196|0.213156|0.500000| |5.114426|5.651009|4.439331|4.408571|5.594000|9.730752|8.880129|5.634017|4.958306|5.655109|8.975908|17.737940|13.216193|4.842923|4.061839|7.510868|5.057426|3.436551|5.577746|4.045326|2.499300|2.152134|0.057439|2.150629|2.056055|2.512183|0.047456|1.898894|1.761076|1.575872|1.694128|0.167319|0.126822|0.114018|0.102315|0.123955|0.107654|0.500000| |2.576980|2.519599|2.194007|2.188071|2.515027|3.820456|3.413984|3.233873|3.736381|5.127036|5.942761|4.374400|16.881180|17.640474|8.831944|10.158747|2.574988|1.924022|3.312582|2.385343|1.582943|1.436202|0.038680|1.448817|1.422321|1.786404|0.034468|1.324853|1.283172|1.178408|1.264841|0.080317|0.071456|0.063567|0.055442|0.076135|0.092657|0.117697|0.500000| |2.600542|2.641486|2.304958|2.368270|2.810006|4.191999|3.866460|3.757465|4.494118|6.400013|6.989649|4.891722|16.542046|17.555162|8.881880|12.766195|3.015081|2.081346|3.641517|2.525894|1.673355|1.519928|0.040561|1.553132|1.538877|1.911797|0.036807|1.401372|1.376355|1.251657|1.369618|0.078741|0.072764|0.063345|0.057313|0.087070|0.110324|0.124463|0.299833|0.500000| |2.933111|2.722176|2.297204|2.224062|2.551673|4.051485|3.764350|3.866068|4.892521|6.993260|6.405870|4.498856|12.760817|8.880782|17.556221|16.544349|2.523861|1.918987|3.264859|2.383832|1.562550|1.437566|0.039073|1.466269|1.417936|1.766924|0.034329|1.311331|1.250756|1.147603|1.234000|0.091143|0.085603|0.071423|0.058203|0.090204|0.124682|0.110295|0.213198|0.173835|0.500000| |2.426464|2.344041|2.034373|2.025535|2.331718|3.555081|3.237417|3.411814|4.372121|5.943404|5.129513|3.738156|10.157190|8.832569|17.641217|16.883049|2.401143|1.784634|3.095956|2.205995|1.464912|1.356432|0.036637|1.393107|1.365467|1.702478|0.033131|1.250017|1.215471|1.114834|1.211393|0.072954|0.070477|0.059875|0.051580|0.081574|0.117828|0.092598|0.208545|0.213240|0.299869|0.500000| |3.602965|4.669783|4.432142|5.791213|8.909752|9.138237|6.347632|6.015624|4.643376|4.004019|4.105874|4.962109|5.931211|2.917259|2.765593|5.741796|17.554723|4.858681|9.159683|4.915746|3.042064|2.724847|0.069383|3.004969|2.983514|3.350424|0.062814|2.373171|2.316333|1.962942|2.325134|0.093689|0.099063|0.086301|0.099595|0.169914|0.112999|0.124286|0.070815|0.084713|0.071486|0.069087|0.500000| |3.637827|4.711929|4.429999|5.734341|8.909793|9.330244|6.591866|5.204597|4.275826|4.126406|4.737190|6.106818|7.069955|3.322266|2.956257|5.873512|17.566602|4.775005|8.700224|4.933132|3.069700|2.624739|0.066852|2.741202|2.740375|3.195651|0.059230|2.316656|2.259209|1.937199|2.222395|0.099719|0.095201|0.086764|0.099191|0.130522|0.099988|0.167561|0.081018|0.097079|0.076078|0.072809|0.302729|0.500000| |3.287785|4.359383|4.620756|6.871210|8.972189|7.698253|4.740121|4.123249|3.374502|3.121407|3.371568|4.116107|5.198299|2.548722|2.353431|4.647503|17.690814|6.707905|14.416108|6.205142|3.864299|3.282302|0.080588|3.551627|3.640972|4.031788|0.073223|2.851914|2.814108|2.319824|2.774527|0.086207|0.086171|0.081747|0.105209|0.114511|0.083409|0.113892|0.063829|0.073739|0.061663|0.059384|0.301273|0.300095|0.500000| |3.816755|4.895401|7.407371|7.549727|4.927134|5.779528|3.226430|2.792580|2.335166|2.199792|2.395550|2.898596|3.871643|1.889216|1.793114|3.383690|3.847926|9.373599|10.933714|26.098730|9.100159|6.059261|0.166275|4.984060|3.984944|4.846848|0.087432|4.253715|3.024373|2.635001|2.610708|0.094949|0.091631|0.110228|0.239727|0.079665|0.059145|0.085326|0.049470|0.051643|0.049690|0.045409|0.092701|0.095132|0.111347|0.500000| |2.580865|3.162186|3.943736|4.859531|3.883252|4.286244|2.594930|2.323995|2.010728|1.913372|2.058356|2.398360|3.391155|1.700321|1.597597|3.007455|3.642687|7.555342|14.321023|12.614726|17.609235|8.780863|0.174164|6.519255|6.442799|8.144612|0.128367|7.175059|5.156816|4.048921|4.020552|0.067033|0.065477|0.071295|0.108793|0.066096|0.051739|0.070039|0.044682|0.047652|0.043456|0.041122|0.088282|0.090776|0.118216|0.186992|0.500000| |2.635088|3.131669|3.980473|4.362779|3.405626|4.001509|2.423027|2.164717|1.882516|1.801267|1.943556|2.259297|3.226622|1.613462|1.524257|2.843013|3.027643|5.882915|9.255799|12.587058|17.563898|8.890344|0.221872|5.453933|4.669617|6.475455|0.111098|6.752164|4.019461|3.551754|3.162648|0.068363|0.065913|0.075319|0.118775|0.061404|0.048497|0.066502|0.042752|0.044633|0.041973|0.039193|0.074507|0.077135|0.092141|0.234115|0.303489|0.500000| |2.291972|2.662951|3.183816|3.520592|2.964620|3.514455|2.200502|2.118191|1.844967|1.694154|1.736456|1.958360|2.815107|1.445834|1.411035|2.703288|2.765731|4.411039|8.100133|6.652370|5.454934|8.809002|0.223304|17.531691|8.857405|9.482706|0.198356|6.770909|4.513188|3.729609|3.977080|0.057521|0.061276|0.064631|0.091679|0.063402|0.049152|0.054460|0.037798|0.040347|0.038609|0.036718|0.074319|0.067218|0.084001|0.115695|0.134334|0.124146|0.500000| |2.787409|3.417778|4.273008|5.112228|4.069033|4.568156|2.743426|2.598315|2.198206|1.997491|2.062747|2.382348|3.291526|1.666900|1.617558|3.127819|3.692491|7.084084|13.055824|9.838004|6.930874|8.676074|0.196046|17.680902|8.838827|7.787761|0.142045|5.659628|4.148425|3.291919|3.733328|0.068917|0.073737|0.077217|0.118721|0.078351|0.057743|0.066150|0.043184|0.046554|0.044093|0.041699|0.097451|0.086074|0.114246|0.154567|0.170235|0.141380|0.302174|0.500000| |2.053127|2.405939|2.764264|3.251801|2.927416|3.363543|2.161108|2.093042|1.846211|1.703981|1.741615|1.943851|2.834443|1.470126|1.422973|2.733946|2.968696|4.110571|8.795152|5.449400|4.524313|5.657504|0.126454|8.662550|17.662921|12.203203|0.235325|5.720961|6.460147|4.493290|6.780427|0.052598|0.055259|0.056190|0.075270|0.062078|0.049315|0.053896|0.038317|0.041678|0.038400|0.037250|0.080637|0.072153|0.094779|0.092909|0.132590|0.102771|0.215249|0.198347|0.500000| |2.280784|2.753737|3.247730|4.046099|3.541551|3.892318|2.439976|2.289884|1.995228|1.859898|1.939695|2.206638|3.159515|1.616994|1.541559|2.949422|3.607770|5.687315|13.782397|7.322701|6.458981|6.950190|0.139814|8.851328|17.662008|12.235509|0.182573|6.626608|7.136097|4.611772|6.324923|0.058729|0.060146|0.061981|0.086978|0.066812|0.052353|0.062175|0.042121|0.045890|0.041517|0.040060|0.093291|0.086967|0.121290|0.116917|0.217438|0.135343|0.173872|0.217177|0.299518|0.500000| |2.011743|2.323263|2.755400|3.083357|2.627979|3.099629|1.964991|1.817439|1.616128|1.543919|1.632651|1.840972|2.729855|1.397920|1.328530|2.481476|2.520217|3.998591|7.462942|6.529309|7.498619|8.674559|0.187195|5.823882|6.154849|12.218367|0.187690|17.653934|7.506455|6.728953|4.735662|0.052637|0.052112|0.056630|0.078973|0.051958|0.042378|0.053150|0.037113|0.039145|0.036296|0.034624|0.064313|0.064511|0.078540|0.115768|0.218300|0.206313|0.137970|0.128977|0.130882|0.164587|0.500000| |1.917162|2.174808|2.561085|2.773242|2.373359|2.860829|1.826083|1.719524|1.533070|1.451461|1.514835|1.693906|2.521817|1.299387|1.250408|2.344203|2.250943|3.450485|6.283353|5.604065|5.636933|8.642273|0.224480|6.314689|5.953759|12.243618|0.244787|17.649970|6.115820|6.071083|4.319688|0.049671|0.050286|0.054557|0.074786|0.049768|0.040593|0.048285|0.034475|0.036255|0.034298|0.032687|0.058822|0.057235|0.068654|0.102487|0.144137|0.151839|0.173339|0.131198|0.134767|0.138015|0.302211|0.500000| |1.858154|2.157883|2.473595|2.885662|2.601134|3.008251|1.949022|1.820397|1.633677|1.563025|1.643830|1.834165|2.752346|1.423595|1.346127|2.524337|2.662018|3.688681|7.694946|5.209863|5.010289|5.187501|0.113944|4.856104|6.797656|12.492736|0.183121|7.027910|17.599654|8.828248|8.859061|0.049048|0.048766|0.051059|0.067828|0.051899|0.042996|0.052564|0.037657|0.040433|0.036343|0.035275|0.068535|0.068415|0.086019|0.090915|0.173769|0.124770|0.114694|0.114665|0.155619|0.211090|0.225335|0.151497|0.500000| |1.625070|1.829277|2.081545|2.291797|2.054588|2.476544|1.621966|1.527058|1.385961|1.331649|1.394261|1.538045|2.355639|1.226074|1.169002|2.173524|2.035294|2.777105|5.298985|4.168856|3.962240|4.497352|0.110607|3.891308|4.513395|9.395327|0.178311|7.013930|8.701050|17.600670|5.472259|0.043000|0.042758|0.045514|0.058934|0.043553|0.036744|0.044085|0.032723|0.034519|0.031853|0.030772|0.053146|0.053042|0.062818|0.077086|0.117813|0.109685|0.101997|0.090129|0.110594|0.118357|0.230255|0.197536|0.210706|0.500000| |1.525581|1.708764|1.920537|2.115378|1.927194|2.331358|1.542156|1.474598|1.344356|1.282971|1.327714|1.452546|2.234214|1.171856|1.125590|2.104016|1.932981|2.522015|4.887635|3.662301|3.295768|3.896877|0.096989|3.773480|4.585659|9.378730|0.214635|5.545752|8.785397|17.539149|6.868010|0.040214|0.040635|0.042551|0.053997|0.042390|0.035944|0.041158|0.031186|0.033095|0.030597|0.029754|0.051435|0.050089|0.059522|0.067544|0.096695|0.087511|0.103758|0.087339|0.122503|0.114257|0.150682|0.161885|0.172793|0.300534|0.500000| |1.507004|1.693568|1.891973|2.106113|1.940791|2.335580|1.552439|1.471740|1.347282|1.297874|1.353346|1.479433|2.293989|1.203548|1.145645|2.130579|1.976781|2.509652|4.924127|3.588596|3.229897|3.502790|0.085749|3.303995|4.066044|7.578494|0.146817|4.752202|8.904554|17.597290|6.959750|0.040104|0.039935|0.041756|0.052626|0.041870|0.035850|0.042232|0.032116|0.034131|0.031038|0.030300|0.052059|0.051891|0.061414|0.066253|0.099381|0.086943|0.086571|0.079382|0.106112|0.110923|0.145641|0.126672|0.211773|0.303187|0.302531|0.500000| 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