Version2.0 2020-01-30T23:33:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)CC[NH+](C2)C[C@H](COc3ccc(cc3)OC[C@@H](C[NH+]4CCc5ccccc5C4)O)O C08833894 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)CC[NH+](C2)C[C@H](COc3ccc(cc3)OC[C@@H](C[NH+]4CCc5ccccc5C4)O)O C01[X(C30H38N2O4)] 216 C1 616 O[C@H](C[NH+]1CCc2c(C1)cccc2)COc1ccc(cc1)OC[C@@H](C[NH+]1CCc2c(C1)cccc2)O O[C@H](C[NH+]1CCc2c(C1)cccc2)COc1ccc(cc1)OC[C@@H](C[NH+]1CCc2c(C1)cccc2)O O[C@@H](COc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1)C[NH+]4CCc5ccccc5C4 InChIKey=SXQYYQFUIJJVEI-VSGBNLITSA-P InChI=1S/C30H36N2O4/c33-27(19-31-15-13-23-5-1-3-7-25(23)17-31)21-35-29-9-11-30(12-10-29)36-22-28(34)20-32-16-14-24-6-2-4-8-26(24)18-32/h1-12,27-28,33-34H,13-22H2/p+2/t27-,28-/m1/s1 InChI=1/C30H36N2O4/c33-27(19-31-15-13-23-5-1-3-7-25(23)17-31)21-35-29-9-11-30(12-10-29)36-22-28(34)20-32-16-14-24-6-2-4-8-26(24)18-32/h1-12,27-28,33-34H,13-22H2/p+2/t27-,28-/m1/s1/fC30H38N2O4/h31-32H/q+2 c1ccc2c(c1)CC[NH+](C2)C[C@H](COc3ccc(cc3)OC[C@@H](C[NH+]4CCc5ccccc5C4)O)O C01[X(C30H38N2O4)] 216 C01 616 O[C@H](C[NH+]1CCc2c(C1)cccc2)COc1ccc(cc1)OC[C@@H](C[NH+]1CCc2c(C1)cccc2)O O[C@H](C[NH]1CCc2c(C1)cccc2)COc1ccc(cc1)OC[C@@H](C[NH]1CCc2c(C1)cccc2)O O[C@@H](COc1ccc(OC[C@H](O)C[NH]2CCc3ccccc3C2)cc1)C[NH]4CCc5ccccc5C4 InChIKey=HDNYYAPJFNBNSU-VSGBNLITSA-N InChI=1S/C30H38N2O4/c33-27(19-31-15-13-23-5-1-3-7-25(23)17-31)21-35-29-9-11-30(12-10-29)36-22-28(34)20-32-16-14-24-6-2-4-8-26(24)18-32/h1-12,27-28,31-34H,13-22H2/t27-,28-/m1/s1 InChI=1/C30H38N2O4/c33-27(19-31-15-13-23-5-1-3-7-25(23)17-31)21-35-29-9-11-30(12-10-29)36-22-28(34)20-32-16-14-24-6-2-4-8-26(24)18-32/h1-12,27-28,31-34H,13-22H2/t27-,28-/m1/s1 3387.7060807782 -1566.0810398 1-A 57085.8730 131 485 616 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206.95 224.33 238.58 243.85 286.46 328.46 336.17 354.89 356.11 398.13 404.40 412.24 449.12 473.60 573.40 584.54 587.28 593.24 640.28 658.30 659.13 672.05 683.68 687.41 697.85 717.80 718.16 737.47 738.40 756.62 785.12 786.54 788.01 813.01 828.04 842.40 881.71 916.40 919.03 984.71 995.42 997.79 1011.50 1120.80 1120.81 1124.39 1154.44 1154.91 1223.35 1223.72 1233.19 1282.80 1282.99 1312.71 1318.60 1319.64 1330.43 1365.26 1390.38 1392.03 1428.01 1428.92 1438.52 1438.59 1471.35 1474.47 1501.98 1518.75 1519.54 1531.12 1531.28 1574.12 1582.47 1582.47 1593.84 1610.97 1611.65 1621.85 1626.00 1645.66 1645.66 1661.56 1662.58 1665.36 1665.61 1709.21 1711.56 1712.71 1734.65 1744.98 1745.02 1748.96 1785.41 1785.52 1798.35 1798.84 1835.22 1836.67 1854.67 1875.17 1875.29 1877.62 1882.60 1882.74 1891.58 1891.80 1910.86 1911.88 1966.18 1966.20 1988.05 1991.14 1992.84 2007.17 2012.59 2036.38 2036.70 2048.69 2048.74 2069.23 2095.17 2100.13 2105.30 2137.17 2137.60 2172.81 2173.64 2197.61 2197.66 2213.45 2213.50 2238.39 2238.42 2265.22 2265.53 2287.52 2295.14 2297.95 2315.54 2315.93 2329.69 2331.44 2340.56 2340.57 2346.70 2346.74 2355.75 2355.80 2362.10 2362.12 2389.56 2390.02 2394.02 2399.19 2405.86 2405.87 2436.84 2572.60 2572.60 2583.35 2604.86 2604.86 2631.72 4616.60 4616.60 4617.24 4618.01 4655.72 4655.72 4682.22 4682.22 4694.83 4694.99 4699.49 4699.49 4708.85 4708.86 4718.39 4718.40 4791.56 4791.56 4801.10 4801.10 4802.76 4802.76 4831.94 4831.94 4847.38 4847.38 4878.06 4878.42 4878.42 4881.94 4899.52 4899.52 4901.01 4904.79 5266.84 5266.85 5865.16 5865.38 0.695170 0.725800 0.726744 0.626898 -1565.385870 -1565.355240 -1565.354296 -1565.454142 3.348851D-04 MUNgauss RevisionA2.0 retrievium 30-Jan-2020 DUDE c1ccc2c(c1)CC[NH+](C2)C[C@H](COc3ccc(cc3)OC[C@@H](C[NH+]4CCc5ccccc5C4)O)O C08833894 RHF 6-31G(d) (6D,10F) C1 490.283158 |X|Y|Z| 234.484289 38.252409 25.292526 60.989478 34 6 7 8 30 2 2 |36.858105| |13.710866|36.858105| |7.958769|13.816020|36.858105| |6.873746|7.922152|13.682215|36.858105| |7.905714|6.837784|7.910043|13.736312|36.858105| |13.808359|7.945200|6.898496|7.954389|13.685047|36.858105| |5.023149|4.430678|5.009161|7.546392|12.583031|7.566840|36.858105| |3.872472|3.741069|4.505237|6.698806|7.552586|5.006672|12.536592|36.858105| |3.754621|3.899923|5.069958|7.633309|6.688119|4.502819|7.705416|12.689205|53.358707| |3.751740|3.851934|4.873245|6.993231|6.438621|4.495825|7.363209|9.252008|25.629321|0.500000| |4.447915|5.053667|7.650719|12.593918|7.512803|5.011994|6.424025|7.749846|17.295919|0.259444|36.858105| |2.920690|3.066607|3.830519|4.959359|4.406206|3.334747|5.005472|7.657511|17.339286|0.262440|7.615997|36.858105| |2.670077|2.877752|3.581434|4.285258|3.677914|2.924963|3.876454|4.984842|10.426301|0.208260|6.213303|12.482355|36.858105| |2.725583|3.032528|3.864074|4.436375|3.612273|2.904741|3.595452|4.444757|9.051792|0.173896|6.603192|8.807614|17.557746|0.500000| |2.203608|2.341782|2.792701|3.205134|2.876696|2.388716|3.078064|3.840087|6.776885|0.136103|4.207290|7.549498|12.515250|0.249493|36.858105| |2.062133|2.213387|2.607867|2.878890|2.568217|2.187893|2.662478|3.137098|5.421562|0.113443|3.615644|5.160704|8.236796|0.209416|13.646064|73.516695| |1.796952|1.912607|2.200950|2.387747|2.173915|1.893837|2.258586|2.608163|4.262770|0.088689|2.880473|3.891448|5.253960|0.138127|7.943258|24.823426|36.858105| |1.694054|1.811510|2.059713|2.182235|1.985761|1.760053|2.025841|2.271864|3.668151|0.077207|2.558809|3.162138|4.126240|0.114014|5.241265|14.515966|13.660816|36.858105| |1.509993|1.603085|1.794774|1.887424|1.740708|1.563719|1.779597|1.974250|3.095898|0.064777|2.167075|2.622342|3.221203|0.088736|3.975351|9.400705|7.943608|13.892183|36.858105| |1.425462|1.500423|1.672032|1.771758|1.652222|1.485403|1.709970|1.909790|2.938722|0.060859|2.031134|2.516088|2.982444|0.080646|3.772839|8.186187|6.862646|7.943610|13.660819|36.858105| |1.483968|1.555226|1.743523|1.874591|1.754017|1.561739|1.840731|2.093567|3.213986|0.065934|2.178448|2.834235|3.328691|0.087833|4.473363|9.190803|7.928887|6.885793|7.953581|13.851028|36.858105| |1.661579|1.747661|1.988970|2.169482|2.011663|1.761840|2.124219|2.468556|3.886450|0.079537|2.587682|3.576217|4.390579|0.112807|6.656005|13.948063|13.851022|7.953581|6.885794|7.928891|13.625810|36.858105| |1.294950|1.357967|1.496606|1.573183|1.477790|1.343320|1.524932|1.682245|2.545720|0.052667|1.774036|2.134334|2.457539|0.066903|2.973945|6.163052|4.604728|5.287895|8.165227|13.963158|7.845784|5.169826|73.516695| |1.218677|1.269778|1.392067|1.467689|1.390664|1.268109|1.444678|1.594270|2.374263|0.048820|1.646367|1.987834|2.227081|0.060187|2.678356|5.287014|3.772838|3.975351|5.241263|7.943255|6.656010|4.473364|24.259662|36.858105| |1.121566|1.167355|1.269125|1.326597|1.260793|1.160390|1.301654|1.419146|2.097850|0.043211|1.469150|1.724412|1.912371|0.052129|2.227081|4.368957|2.982443|3.221202|4.126238|5.253957|4.390579|3.328691|14.643190|12.515235|36.858105| |1.115598|1.159229|1.256800|1.312323|1.250248|1.153667|1.290128|1.398200|2.067844|0.042888|1.446195|1.687319|1.876640|0.050992|2.166729|4.281788|2.903237|3.194473|4.104448|4.972537|4.061059|3.161996|13.402494|8.981747|17.557738|0.500000| |1.049916|1.087373|1.176223|1.230549|1.177292|1.087732|1.219741|1.327123|1.937372|0.039736|1.354925|1.585159|1.724412|0.046870|1.987834|3.794373|2.516089|2.622343|3.162139|3.891449|3.576219|2.834236|9.174591|7.549501|12.482368|0.244656|36.858105| |0.980794|1.016100|1.093200|1.135947|1.087469|1.011096|1.120156|1.209369|1.759362|0.036086|1.240879|1.423377|1.541280|0.042201|1.744359|3.325029|2.159065|2.274544|2.694978|3.131840|2.855354|2.361299|7.081252|4.978946|7.660181|0.184732|12.739078|53.358707| |0.988997|1.028353|1.107707|1.147004|1.093365|1.016471|1.121198|1.210854|1.768203|0.036206|1.254475|1.430495|1.555605|0.042888|1.757520|3.370682|2.190923|2.331975|2.779471|3.192805|2.863343|2.373634|7.260369|4.899726|7.497380|0.173897|9.447826|25.629312|0.500000| |0.927674|0.958171|1.027328|1.067519|1.026035|0.956720|1.058468|1.141102|1.646086|0.033635|1.161572|1.327124|1.419148|0.038839|1.594271|2.990662|1.909792|1.974255|2.271872|2.608168|2.468555|2.093567|5.577076|3.840087|4.984854|0.123466|7.657520|17.271432|0.257000|36.858105| |0.877476|0.907174|0.968963|1.001246|0.961926|0.901054|0.987178|1.058470|1.524658|0.031144|1.083530|1.219743|1.301656|0.035837|1.444680|2.710998|1.709974|1.779605|2.025853|2.258593|2.124219|1.840732|4.733311|3.078065|3.876462|0.099874|5.005474|10.487917|0.204534|12.536581|36.858105| |0.861365|0.890399|0.948624|0.977532|0.939660|0.882690|0.961926|1.026037|1.480169|0.030371|1.053572|1.177295|1.260798|0.034729|1.390668|2.627193|1.652230|1.740720|1.985776|2.173928|2.011670|1.754023|4.565751|2.876708|3.677939|0.100342|4.406213|9.103308|0.178853|7.552571|12.583022|36.858105| |0.814555|0.841508|0.893129|0.917123|0.882691|0.832517|0.901055|0.956723|1.376219|0.028235|0.983448|1.087736|1.160395|0.032047|1.268115|2.388139|1.485413|1.563733|1.760070|1.893851|1.761847|1.561746|3.889620|2.388728|2.924985|0.080688|3.334753|6.128858|0.124886|5.006659|7.566843|13.685039|36.858105| |0.798397|0.824516|0.872919|0.894286|0.861366|0.814556|0.877477|0.927677|1.334974|0.027472|0.955410|1.049921|1.121573|0.030989|1.218683|2.302150|1.425472|1.510007|1.694071|1.796967|1.661589|1.483976|3.666049|2.203621|2.670099|0.075711|2.920694|5.110474|0.104216|3.872463|5.023150|7.905712|13.808364|36.858105| |0.824515|0.851619|0.902167|0.924673|0.890400|0.841507|0.907175|0.958173|1.383029|0.028565|0.988119|1.087378|1.167361|0.032201|1.269784|2.414180|1.500434|1.603099|1.811527|1.912623|1.747673|1.555236|3.934950|2.341798|2.877778|0.084238|3.066611|5.308245|0.107000|3.741062|4.430676|6.837782|7.945199|13.710860|36.858105| |0.872916|0.902165|0.959197|0.986344|0.948623|0.893126|0.968963|1.027329|1.487969|0.030770|1.058907|1.176226|1.269131|0.034911|1.392072|2.660647|1.672041|1.794785|2.059727|2.200965|1.988982|1.743532|4.636249|2.792720|3.581469|0.107337|3.830522|6.900798|0.135370|4.505230|5.009156|7.910041|6.898497|7.958769|13.816027|36.858105| |0.894283|0.924671|0.986344|1.017433|0.977531|0.917121|1.001245|1.067520|1.546151|0.031861|1.097713|1.230551|1.326601|0.036454|1.467693|2.796780|1.771765|1.887433|2.182247|2.387759|2.169491|1.874597|5.118062|3.205150|4.285293|0.123234|4.959363|10.389820|0.194259|6.698799|7.546382|13.736318|7.954390|6.873746|7.922151|13.682207|36.858105| |0.955405|0.988114|1.058903|1.097710|1.053569|0.983443|1.083528|1.161571|1.688972|0.034846|1.191726|1.354924|1.469150|0.040172|1.646367|3.153842|2.031134|2.167073|2.558806|2.880474|2.587686|2.178450|6.427818|4.207297|6.213322|0.183423|7.615976|17.295876|0.259443|7.749874|6.424024|7.512814|5.011998|4.447917|5.053666|7.650714|12.593928|36.858105| |1.105365|1.156660|1.257136|1.303927|1.231987|1.136574|1.261009|1.371523|2.033712|0.041740|1.442200|1.663938|1.850202|0.051174|2.129667|4.203829|2.836182|3.125583|3.987807|4.746613|3.896674|3.069760|12.387082|7.904812|13.622632|0.258496|8.196954|9.840897|0.248456|4.806370|4.041774|3.841476|3.081119|2.798532|2.981571|3.651689|4.361245|5.754495|73.516695| |2.798486|2.981518|3.651622|4.361177|3.841423|3.081072|4.041754|4.806349|9.840814|0.248453|5.754465|8.196930|13.622617|0.258496|7.904837|12.386978|4.746588|3.987760|3.125558|2.836173|3.069762|3.896683|4.203818|2.129663|1.850198|0.051174|1.663935|2.033711|0.041740|1.371522|1.261009|1.231989|1.136578|1.105369|1.156664|1.257139|1.303928|1.442197|3.165347|73.516695| |17.735162|8.899977|5.656438|4.953789|5.635051|8.945127|4.099874|3.241021|4.238509|0.086974|3.556120|2.513786|2.325551|0.065747|1.963437|3.295861|1.637036|1.554989|1.398606|1.323555|1.372057|1.522106|2.152235|1.142748|1.057459|0.029259|0.992961|1.267301|0.026068|0.882612|0.837130|0.823095|0.780393|0.766134|0.790743|0.835042|0.853707|0.909117|1.854301|4.334996|0.500000| |8.892971|17.737676|8.943688|5.639991|4.935268|5.649452|3.545163|3.106264|4.442731|0.089902|4.123856|2.683778|2.580685|0.076323|2.144755|3.661988|1.800472|1.725849|1.537234|1.435212|1.476357|1.644765|2.322262|1.220589|1.128363|0.031142|1.051261|1.343007|0.027794|0.930851|0.884551|0.869690|0.823976|0.808568|0.834710|0.882141|0.902342|0.960954|1.996594|4.732829|0.214255|0.500000| |5.655132|8.951958|17.698151|8.888364|5.632117|4.963718|4.082962|3.942192|6.328935|0.123459|7.136802|3.750582|3.671318|0.115059|2.871310|4.850895|2.296521|2.166087|1.878434|1.735932|1.799589|2.053476|2.756778|1.434152|1.307698|0.035910|1.206913|1.528424|0.031722|1.052682|0.994259|0.973344|0.916203|0.895219|0.925113|0.983787|1.011966|1.086043|2.316336|6.511657|0.124313|0.216081|0.500000| |8.946760|5.649988|4.964682|5.654891|8.913753|17.710398|7.043794|4.579721|5.346950|0.110021|4.080032|3.017217|2.640095|0.071718|2.208530|3.595886|1.772100|1.648130|1.476428|1.411570|1.485720|1.665192|2.280767|1.217575|1.116933|0.030886|1.051546|1.331642|0.027253|0.928262|0.874338|0.856850|0.808977|0.791931|0.817837|0.867097|0.889779|0.953126|1.938975|4.958306|0.216038|0.124217|0.107697|0.500000| |4.557971|3.996425|4.385116|6.076264|8.878159|6.547066|17.519871|8.895437|9.173918|0.207710|5.369841|4.654733|3.788183|0.095489|3.047877|4.750442|2.274509|2.049795|1.801377|1.726776|1.852494|2.132795|2.738865|1.457125|1.313864|0.036356|1.229270|1.535283|0.031285|1.063569|0.990760|0.968371|0.906697|0.884815|0.917345|0.980952|1.011265|1.095905|2.252550|7.445449|0.106845|0.090947|0.101724|0.180992|0.500000| |4.684276|3.973411|4.237095|5.733100|8.864432|6.989484|17.578221|8.989552|7.645164|0.146359|4.940886|4.146680|3.263569|0.084813|2.708147|4.189152|2.040855|1.838599|1.636299|1.586435|1.708739|1.948859|2.536108|1.362332|1.232770|0.033900|1.163080|1.457600|0.029734|1.017002|0.949901|0.924517|0.867689|0.844583|0.871169|0.928317|0.959517|1.035500|2.122631|5.917140|0.110912|0.090464|0.097690|0.206074|0.304493|0.500000| |3.254648|3.116672|3.616191|4.913832|5.515741|4.095934|8.812589|17.636153|12.341053|0.216693|5.638689|7.347930|4.813972|0.113969|3.932334|5.611200|2.658838|2.289559|2.001391|1.958595|2.171292|2.564441|3.065084|1.644528|1.457303|0.039900|1.367180|1.687707|0.034341|1.171174|1.081624|1.047000|0.974094|0.943361|0.974873|1.047411|1.090327|1.190374|2.483961|8.326474|0.078186|0.073880|0.090374|0.109389|0.220305|0.208842|0.500000| |3.728249|3.656491|4.397027|6.237745|6.616259|4.655286|8.775176|17.611465|12.429542|0.181424|7.301589|6.852666|4.522188|0.117038|3.607692|5.241255|2.484673|2.166512|1.897480|1.847598|2.030059|2.378988|2.905802|1.557122|1.388237|0.037791|1.303833|1.620406|0.033174|1.127788|1.047898|1.012267|0.944865|0.914127|0.940894|1.006896|1.048752|1.138407|2.396049|7.283288|0.087330|0.085230|0.108666|0.117988|0.173636|0.218116|0.300818|0.500000| |3.990882|4.531178|6.474861|8.804447|6.088446|4.388889|5.457064|6.945998|12.460050|0.182499|17.584272|7.175739|5.633663|0.172225|4.071433|6.131796|2.798002|2.471241|2.113048|2.001531|2.160786|2.558272|3.116867|1.637236|1.460131|0.039671|1.352393|1.686666|0.034862|1.164339|1.086794|1.052144|0.982290|0.951415|0.980420|1.049418|1.091566|1.183454|2.557955|8.473103|0.090841|0.106166|0.178031|0.101921|0.124100|0.126462|0.145103|0.215885|0.500000| |4.000061|4.736007|7.118861|8.883080|5.715915|4.247497|4.932829|5.647686|12.395992|0.229445|17.660876|6.997466|7.055926|0.233892|4.562644|7.268773|3.170623|2.845404|2.365069|2.175264|2.308081|2.758940|3.352187|1.728078|1.540128|0.042182|1.407830|1.754688|0.036317|1.199618|1.119519|1.091136|1.017420|0.989635|1.025993|1.101338|1.140240|1.239618|2.698857|11.837684|0.090979|0.112154|0.211738|0.097764|0.124293|0.109598|0.126860|0.146199|0.301274|0.500000| |2.683110|2.736690|3.281145|4.171947|3.990738|3.104903|4.851033|7.388051|12.484150|0.222776|5.611086|17.623179|8.871536|0.173899|7.134242|8.587449|3.810493|3.062963|2.582415|2.526537|2.893038|3.645058|3.819497|2.022983|1.747000|0.047557|1.614932|1.963187|0.040022|1.347689|1.232532|1.188199|1.095627|1.056522|1.094827|1.186493|1.243161|1.373523|2.963047|12.675514|0.065149|0.066948|0.087804|0.080387|0.130543|0.115006|0.238556|0.176501|0.147418|0.142764|0.500000| |2.808986|2.973751|3.705485|4.664767|4.097985|3.160930|4.522103|6.828449|12.334151|0.182425|7.082911|17.622193|8.734428|0.215630|6.546306|8.198842|3.631405|2.968535|2.503556|2.431992|2.752724|3.429771|3.694184|1.951795|1.695644|0.045718|1.568079|1.920296|0.039493|1.322097|1.217061|1.168842|1.080823|1.039897|1.072231|1.157379|1.215046|1.334198|2.927381|10.332528|0.067492|0.072929|0.102355|0.079474|0.112093|0.108908|0.176889|0.199855|0.221721|0.175207|0.300483|0.500000| |2.117497|2.205600|2.581436|2.991627|2.783099|2.325303|3.077391|3.836430|6.414775|0.132150|3.784316|6.907791|8.849457|0.174755|17.548301|16.522173|7.010610|4.749979|3.783650|3.725786|4.546609|6.690592|5.267337|2.717097|2.246275|0.061011|2.020601|2.395709|0.048805|1.612427|1.451903|1.397333|1.271475|1.221613|1.274701|1.400721|1.477995|1.665611|3.748432|12.699692|0.052731|0.055963|0.072235|0.060619|0.086323|0.075880|0.114543|0.098258|0.100669|0.109616|0.215066|0.161169|0.500000| |2.103133|2.240384|2.662731|3.024941|2.711423|2.267075|2.886178|3.630757|6.134383|0.117074|3.962191|6.813839|8.814520|0.215240|17.539647|16.482573|7.002962|4.759355|3.788713|3.725854|4.536930|6.655945|5.268529|2.713288|2.245690|0.059782|2.020608|2.409951|0.049727|1.627610|1.473616|1.406608|1.281447|1.224714|1.268759|1.389034|1.474125|1.651379|3.846359|10.120036|0.052242|0.057311|0.076569|0.058317|0.077685|0.071854|0.102689|0.098874|0.112340|0.116620|0.176483|0.191313|0.298976|0.500000| |1.772776|1.912724|2.180252|2.282813|2.055552|1.826603|2.065096|2.286734|3.740069|0.079606|2.661893|3.139036|4.167646|0.118824|4.864033|13.433835|8.926440|17.741065|8.945746|5.642070|4.960552|5.667032|7.590441|3.322246|2.825404|0.078835|2.336645|2.823211|0.059270|1.813128|1.657227|1.634957|1.483113|1.442976|1.533725|1.703054|1.770294|2.002304|4.965678|7.433205|0.045144|0.050820|0.064254|0.047230|0.058159|0.051721|0.063174|0.060279|0.070545|0.083920|0.082793|0.081123|0.119667|0.120051|0.500000| |1.442961|1.533712|1.703044|1.770286|1.634945|1.483099|1.657218|1.813122|2.823202|0.059270|2.002307|2.336644|2.825405|0.078835|3.322247|7.590444|5.642069|8.945747|17.741066|8.926438|5.667031|4.960552|13.433828|4.864029|4.167644|0.118822|3.139037|3.740088|0.079607|2.286745|2.065112|2.055571|1.826625|1.772798|1.912745|2.180269|2.282828|2.661887|7.433340|4.965633|0.037312|0.041133|0.049626|0.038942|0.046670|0.042455|0.050782|0.048449|0.054125|0.060765|0.063638|0.062095|0.087939|0.088083|0.214571|0.500000| |1.407658|1.465886|1.632871|1.758420|1.660940|1.485117|1.754582|1.994552|3.001656|0.061156|2.027332|2.632866|2.974724|0.078146|3.894182|7.443736|5.667897|4.962078|5.635728|8.891668|17.755646|8.951645|12.429732|7.333651|4.627894|0.115050|3.945042|4.148486|0.083612|2.666087|2.248536|2.095073|1.820889|1.700365|1.776971|2.026902|2.242745|2.699388|7.034031|4.866588|0.036278|0.038659|0.046559|0.039466|0.048959|0.045658|0.057885|0.054071|0.056260|0.058838|0.075676|0.071875|0.112812|0.112482|0.107713|0.124117|0.500000| |1.700358|1.776961|2.026890|2.242737|2.095071|1.820885|2.248543|2.666095|4.148488|0.083612|2.699380|3.945039|4.627893|0.115049|7.333641|12.429732|8.891668|5.635728|4.962079|5.667899|8.951646|17.755646|7.443735|3.894184|2.974724|0.078146|2.632867|3.001657|0.061156|1.994550|1.754580|1.660944|1.485121|1.407664|1.465894|1.632879|1.758425|2.027335|4.866573|7.034092|0.043160|0.046152|0.057651|0.047939|0.062387|0.057511|0.078096|0.071737|0.074855|0.078403|0.115013|0.106359|0.222120|0.219336|0.124117|0.107713|0.219030|0.500000| |1.224705|1.268750|1.389026|1.474118|1.406601|1.281439|1.473611|1.627606|2.409943|0.049727|1.651376|2.020602|2.245686|0.059782|2.713282|5.268518|3.725843|3.788693|4.759320|7.002929|6.655966|4.536931|16.482561|17.539659|8.814543|0.215243|6.813795|6.134377|0.117074|3.630741|2.886170|2.711427|2.267079|2.103140|2.240395|2.662745|3.024952|3.962202|10.120035|3.846349|0.031903|0.033757|0.039507|0.034302|0.041476|0.038653|0.047028|0.043968|0.045452|0.047876|0.057870|0.054757|0.078334|0.075613|0.088083|0.120050|0.219340|0.112482|0.500000| |1.221610|1.274697|1.400718|1.477995|1.397332|1.271473|1.451904|1.612431|2.395713|0.048805|1.665614|2.020607|2.246281|0.061011|2.717104|5.267352|3.725798|3.783671|4.750011|7.010640|6.690584|4.546614|16.522177|17.548290|8.849413|0.174755|6.907833|6.414783|0.132150|3.836433|3.077390|2.783107|2.325313|2.117507|2.205612|2.581448|2.991638|3.784318|12.699476|3.748435|0.031784|0.034025|0.040150|0.033873|0.040416|0.038118|0.046153|0.044075|0.046413|0.048404|0.056979|0.055783|0.075944|0.078334|0.087940|0.119668|0.222118|0.112812|0.298976|0.500000| |1.039890|1.072224|1.157373|1.215042|1.168836|1.080817|1.217057|1.322094|1.920290|0.039493|1.334196|1.568075|1.695641|0.045718|1.951792|3.694175|2.431985|2.503542|2.968513|3.631388|3.429773|2.752724|8.198799|6.546302|8.734396|0.215628|17.622188|12.334137|0.182425|6.828479|4.522107|4.097972|3.160918|2.808972|2.973732|3.705457|4.664737|7.082864|10.332525|2.927370|0.027344|0.028740|0.032845|0.029116|0.034190|0.032293|0.038021|0.035977|0.036888|0.038363|0.044707|0.042910|0.055783|0.054757|0.062094|0.081123|0.106359|0.071875|0.191312|0.161171|0.500000| |1.056520|1.094825|1.186492|1.243161|1.188197|1.095625|1.232531|1.347689|1.963187|0.040022|1.373525|1.614934|1.747003|0.047557|2.022985|3.819505|2.526542|2.582427|3.062981|3.810505|3.645054|2.893037|8.587487|7.134232|8.871559|0.173899|17.623182|12.484178|0.222777|7.388034|4.851038|3.990749|3.104913|2.683118|2.736697|3.281152|4.171955|5.611079|12.675615|2.963045|0.027727|0.029378|0.033836|0.029405|0.034357|0.032703|0.038575|0.036961|0.038301|0.039532|0.045691|0.044708|0.056978|0.057870|0.063638|0.082793|0.115012|0.075676|0.176480|0.215068|0.300482|0.500000| |0.914123|0.940891|1.006893|1.048749|1.012264|0.944861|1.047896|1.127786|1.620402|0.033174|1.138407|1.303831|1.388236|0.037791|1.557120|2.905800|1.847596|1.897479|2.166512|2.484671|2.378986|2.030057|5.241257|3.607689|4.522198|0.117039|6.852662|12.429561|0.181424|17.611466|8.775175|6.616211|4.655242|3.728218|3.656465|4.397002|6.237721|7.301654|7.283315|2.396043|0.024182|0.025357|0.028565|0.025531|0.029322|0.028013|0.032262|0.030901|0.031632|0.032568|0.036961|0.035977|0.044075|0.043968|0.048449|0.060279|0.071737|0.054070|0.098874|0.098258|0.199856|0.176499|0.500000| |0.943359|0.974872|1.047410|1.090327|1.046999|0.974093|1.081624|1.171175|1.687707|0.034341|1.190376|1.367181|1.457304|0.039901|1.644529|3.065088|1.958597|2.001398|2.289569|2.658842|2.564435|2.171289|5.611209|3.932327|4.813973|0.113969|7.347947|12.341043|0.216691|17.636152|8.812582|5.515738|4.095930|3.254646|3.116671|3.616189|4.913831|5.638697|8.326473|2.483959|0.024899|0.026279|0.029824|0.026237|0.030099|0.028894|0.033409|0.032262|0.033279|0.034086|0.038575|0.038022|0.046153|0.047028|0.050782|0.063175|0.078096|0.057885|0.102688|0.114543|0.176891|0.238556|0.300819|0.500000| |0.844582|0.871168|0.928317|0.959517|0.924516|0.867687|0.949901|1.017002|1.457600|0.029734|1.035501|1.163081|1.232771|0.033901|1.362332|2.536111|1.586437|1.636305|1.838607|2.040858|1.948857|1.708738|4.189161|2.708146|3.263575|0.084813|4.146684|7.645172|0.146359|8.989561|17.578222|8.864432|6.989446|4.684266|3.973410|4.237102|5.733119|4.940916|5.917156|2.122629|0.022415|0.023597|0.026408|0.023433|0.026466|0.025464|0.028894|0.028013|0.028889|0.029616|0.032703|0.032293|0.038118|0.038653|0.042455|0.051722|0.057511|0.045658|0.071854|0.075880|0.108909|0.115005|0.218117|0.208841|0.500000| |0.884815|0.917344|0.980952|1.011266|0.968371|0.906696|0.990761|1.063571|1.535285|0.031285|1.095909|1.229273|1.313867|0.036356|1.457128|2.738872|1.726780|1.801387|2.049807|2.274513|2.132791|1.852492|4.750448|3.047870|3.788172|0.095489|4.654720|9.173837|0.207708|8.895424|17.519877|8.878165|6.547129|4.557994|3.996427|4.385101|6.076223|5.369785|7.445433|2.252551|0.023436|0.024880|0.028037|0.024391|0.027546|0.026466|0.030099|0.029322|0.030614|0.031501|0.034357|0.034190|0.040416|0.041476|0.046671|0.058160|0.062387|0.048959|0.077684|0.086322|0.112093|0.130543|0.173636|0.220306|0.304492|0.500000| 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