Version2.0 2020-02-05T07:53:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc2cc(c(=O)[nH]c2cc1C)[C@H](c3nnnn3C(C)(C)C)[NH+](Cc4ccco4)C[C@@H]5CCCO5 C19126111 RHF 6-31G(d) (6D,7F) Cc1cc2cc(c(=O)[nH]c2cc1C)[C@H](c3nnnn3C(C)(C)C)[NH+](Cc4ccco4)C[C@@H]5CCCO5 C01[X(C27H35N6O3)] 207 C1 610 Cc1cc2[nH]c(=O)c(cc2cc1C)[C@H](c1nnnn1C(C)(C)C)[NH+](Cc1ccco1)C[C@@H]1CCCO1 Cc1cc2[nH]c(=O)c(cc2cc1C)[C@H](c1nnnn1C(C)(C)C)[NH+](Cc1ccco1)C[C@@H]1CCCO1 Cc1cc2NC(=O)C(=Cc2cc1C)[C@@H]([NH+](C[C@@H]3CCCO3)Cc4occc4)c5nnnn5C(C)(C)C InChIKey=MCVAKWGRUPQAOJ-XUZZJYLKSA-O InChI=1S/C27H34N6O3/c1-17-12-19-14-22(26(34)28-23(19)13-18(17)2)24(25-29-30-31-33(25)27(3,4)5)32(15-20-8-6-10-35-20)16-21-9-7-11-36-21/h6,8,10,12-14,21,24H,7,9,11,15-16H2,1-5H3,(H,28,34)/p+1/t21-,24+/m0/s1 InChI=1/C27H34N6O3/c1-17-12-19-14-22(26(34)28-23(19)13-18(17)2)24(25-29-30-31-33(25)27(3,4)5)32(15-20-8-6-10-35-20)16-21-9-7-11-36-21/h6,8,10,12-14,21,24H,7,9,11,15-16H2,1-5H3,(H,28,34)/p+1/t21-,24+/m0/s1/fC27H35N6O3/h28,32H/q+1 Cc1cc2cc(c(=O)[nH]c2cc1C)[C@H](c3nnnn3C(C)(C)C)[NH+](Cc4ccco4)C[C@@H]5CCCO5 C01[X(C27H35N6O3)] 207 C01 610 Cc1cc2[nH]c(=O)c(cc2cc1C)[C@H](c1nnnn1C(C)(C)C)[NH+](Cc1ccco1)C[C@@H]1CCCO1 O[C@H]1Nc2cc(C)c(cc2C=C1[C@H]([C@H]1NNNN1C(C)(C)C)[NH](Cc1ccco1)C[C@@H]1CCCO1)C Cc1cc2N[C@H](O)C(=Cc2cc1C)[C@H]([C@H]3NNNN3C(C)(C)C)[NH](C[C@@H]4CCCO4)Cc5occc5 InChIKey=AVEJXPXUFZFQLX-XDWXJERXSA-N InChI=1S/C27H41N6O3/c1-17-12-19-14-22(26(34)28-23(19)13-18(17)2)24(25-29-30-31-33(25)27(3,4)5)32(15-20-8-6-10-35-20)16-21-9-7-11-36-21/h6,8,10,12-14,21,24-26,28-32,34H,7,9,11,15-16H2,1-5H3/t21-,24+,25-,26+/m0/s1 InChI=1/C27H41N6O3/c1-17-12-19-14-22(26(34)28-23(19)13-18(17)2)24(25-29-30-31-33(25)27(3,4)5)32(15-20-8-6-10-35-20)16-21-9-7-11-36-21/h6,8,10,12-14,21,24-26,28-32,34H,7,9,11,15-16H2,1-5H3/t21-,24+,25-,26+/m0/s1 4132.1835441472 -1593.8571115 1-A 18084.8155 131 479 610 |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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.73961 -20.68569 -20.64141 -15.80747 -15.77267 -15.74077 -15.72548 -15.72387 -15.68813 -11.47523 -11.44443 -11.43065 -11.41797 -11.40754 -11.40690 -11.40598 -11.40054 -11.39982 -11.39082 -11.38939 -11.38334 -11.37403 -11.35243 -11.34844 -11.34290 -11.34073 -11.33840 -11.33464 -11.33323 -11.33214 -11.33088 -11.33032 -11.32562 -11.31287 -11.30952 -11.30714 -1.60849 -1.58101 -1.51629 -1.51345 -1.44829 -1.39027 -1.37095 -1.30789 -1.26648 -1.24001 -1.20521 -1.20138 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1434.89 1445.88 1464.96 1467.57 1483.47 1491.00 1493.38 1530.42 1537.25 1553.94 1571.13 1587.50 1595.90 1602.61 1615.59 1627.37 1645.80 1655.68 1664.77 1666.93 1668.17 1700.89 1713.69 1731.11 1750.81 1781.41 1797.16 1811.85 1816.65 1837.14 1843.43 1857.89 1871.35 1911.86 1914.13 1930.74 1947.04 1959.85 1963.50 1980.60 1988.56 1997.26 2000.95 2033.02 2038.31 2050.48 2073.40 2081.35 2091.91 2103.94 2114.14 2116.09 2158.56 2162.65 2173.25 2215.19 2231.90 2243.70 2247.69 2251.33 2254.33 2258.38 2270.70 2272.48 2286.16 2296.46 2322.89 2329.87 2333.26 2337.56 2340.83 2343.92 2348.00 2353.11 2354.10 2355.75 2356.41 2365.93 2369.92 2376.22 2380.97 2383.79 2396.42 2401.84 2407.20 2415.97 2430.79 2474.49 2541.44 2606.98 2610.22 2641.43 2723.76 4619.17 4627.17 4633.96 4637.78 4646.09 4659.68 4662.98 4674.12 4698.71 4707.18 4708.31 4730.17 4735.37 4740.97 4742.30 4748.52 4751.54 4751.63 4752.61 4760.45 4767.32 4768.18 4778.57 4794.97 4835.91 4843.17 4847.70 4871.05 4881.70 4905.41 4950.53 4975.87 4984.62 5021.18 5515.30 0.649582 0.681267 0.682211 0.583291 -1593.207530 -1593.175844 -1593.174900 -1593.273820 3.317793D-04 MUNgauss RevisionA2.0 retrievium 05-Feb-2020 DUDE Cc1cc2cc(c(=O)[nH]c2cc1C)[C@H](c3nnnn3C(C)(C)C)[NH+](Cc4ccco4)C[C@@H]5CCCO5 C19126111 RHF 6-31G(d) (6D,10F) C1 491.277064 |X|Y|Z| 66.423844 55.710494 102.805700 72.459067 29 6 7 8 21 6 2 |36.858105| |12.607636|36.858105| |7.607843|13.902597|36.858105| |4.998796|7.851266|13.562823|36.858105| |3.806119|5.071454|7.614237|13.256201|36.858105| |3.063364|3.915601|5.106176|7.809929|14.171791|36.858105| |2.905861|3.752937|4.490792|6.711983|7.842141|12.956350|36.858105| |2.462372|3.050568|3.494778|4.705136|5.370204|8.039991|15.667716|73.516695| |3.348907|4.560124|5.207408|8.008659|7.007628|7.962824|14.071007|15.158783|53.358707| |3.045449|4.001313|4.270915|5.801784|5.125720|5.800883|9.576530|14.140443|25.954549|0.500000| |4.421599|6.809860|7.927899|13.724083|7.871710|6.778573|7.822764|9.611259|18.782811|0.256396|36.858105| |5.000783|7.863745|6.893156|7.900105|5.137842|4.531079|5.157468|7.282759|10.715644|0.202128|13.663175|36.858105| |7.473775|13.422874|7.945223|6.823911|4.506191|3.772415|3.935302|5.746517|7.056042|0.132761|7.915490|13.836599|36.858105| |6.444250|7.498841|5.033908|4.429762|3.321172|2.921744|3.084460|4.741967|5.276521|0.105791|5.032865|7.636087|12.625308|36.858105| |2.540041|3.054415|3.809954|4.957726|7.612392|12.486269|7.362914|11.606256|6.846907|0.115908|4.399080|3.328858|2.913200|2.375068|36.858105| |2.552168|3.006532|3.800213|4.690180|7.247181|8.915512|5.539480|8.717247|5.737196|0.098421|3.947698|3.071723|2.782285|2.280541|17.767850|0.500000| |2.357431|2.783176|3.365413|4.180432|5.691860|7.657822|5.816107|9.738431|5.905274|0.104083|3.836549|3.028663|2.678429|2.227726|12.601657|0.246657|36.858105| |2.225803|2.630546|3.069697|3.802606|4.713517|6.279952|5.852801|10.643962|6.035349|0.110673|3.743298|3.017033|2.616493|2.207464|7.767740|0.159181|14.728841|53.358707| |2.066057|2.382993|2.726312|3.215694|3.805625|4.545575|4.245706|7.606189|4.808441|0.090433|3.141005|2.643713|2.356382|2.029715|5.362342|0.124910|9.075588|19.516709|53.358707| |2.071987|2.354314|2.724449|3.131774|3.775281|4.285438|3.736421|6.455597|4.308230|0.079889|2.935024|2.483528|2.269774|1.955245|5.260799|0.132115|8.926851|12.222562|20.718737|53.358707| |2.240763|2.569291|3.071454|3.587690|4.640265|5.327900|4.212890|7.045561|4.694016|0.084542|3.225515|2.653375|2.427999|2.053782|7.372125|0.191951|14.197389|12.118186|12.377864|19.499636|53.358707| |2.200944|2.455118|2.939517|3.264397|4.153503|4.341673|3.406020|5.631456|3.963792|0.071724|2.843304|2.393624|2.260238|1.929103|5.662656|0.174997|7.259479|7.149824|7.396882|10.605169|17.269416|36.858105| |1.992519|2.172762|2.518141|2.710400|3.228423|3.312049|2.776154|4.670370|3.349871|0.061997|2.422246|2.106675|2.015499|1.758053|3.969649|0.116295|5.025890|5.783726|6.648708|9.780961|10.542247|12.428216|36.858105| |2.582939|2.872967|3.558128|3.831012|4.942952|4.632217|3.481928|5.489609|4.183707|0.074249|3.149498|2.638647|2.547850|2.139403|5.416951|0.177656|5.921538|5.997688|5.868674|7.409658|10.470135|12.441213|7.633291|36.858105| |1.992787|2.202968|2.607793|2.885135|3.647595|3.900805|3.119516|5.319301|3.596024|0.065851|2.547154|2.161842|2.041083|1.760230|5.333442|0.176351|5.903515|6.020527|5.918963|7.481969|10.483858|12.434099|7.619896|7.529289|36.858105| |2.207392|2.609281|3.103888|3.898225|5.178488|7.619233|6.505689|12.703336|6.087558|0.109789|3.730414|2.946501|2.561806|2.147601|12.506354|0.252477|7.678145|8.682993|6.215385|5.808908|7.187515|4.289789|3.269477|3.919543|4.499628|53.358707| |2.200962|2.629402|3.073306|3.927006|4.959750|7.550424|7.901316|18.710700|6.936433|0.127944|3.974680|3.129006|2.650270|2.225828|9.443897|0.183930|7.057058|9.388124|6.428202|5.635825|6.522992|3.773525|2.999755|3.476489|3.780522|25.395099|0.500000| |1.903947|2.187693|2.539169|3.029505|3.806096|4.925373|4.427940|8.799714|4.585111|0.086027|2.911120|2.409627|2.145060|1.845799|7.431758|0.182760|6.633274|7.923048|6.254213|5.977988|7.115585|4.343466|3.408577|3.653673|4.953001|17.155022|0.257469|36.858105| |1.715403|1.953645|2.210192|2.595199|3.089102|3.851444|3.783303|7.920993|4.084877|0.079491|2.574418|2.190054|1.948054|1.707010|4.930051|0.123933|4.533478|6.033343|5.032556|4.681449|5.155317|3.267282|2.741365|2.842964|3.660252|10.409781|0.201442|12.811850|36.858105| |1.605017|1.822169|2.025306|2.362695|2.721349|3.343606|3.466942|7.483147|3.849315|0.077011|2.403598|2.082211|1.844384|1.636497|3.997604|0.098853|3.919324|5.639164|4.857872|4.363954|4.543131|2.846060|2.482792|2.486684|3.066061|7.521065|0.164642|7.383375|14.201613|36.858105| |1.477257|1.659189|1.821433|2.088104|2.353015|2.793687|2.907492|6.118732|3.351409|0.067862|2.129992|1.881699|1.683082|1.512443|3.203239|0.082138|3.064096|4.311434|3.827386|3.524569|3.668045|2.392913|2.124935|2.141188|2.601098|5.752264|0.122553|5.157250|8.579296|13.252641|36.858105| |1.497985|1.676552|1.851408|2.111468|2.400029|2.819427|2.852973|5.841678|3.288542|0.065713|2.120638|1.867563|1.683785|1.508343|3.265635|0.086281|2.999891|4.042730|3.568450|3.374138|3.612040|2.419270|2.120545|2.188468|2.700880|5.960542|0.120008|5.337561|8.780529|8.606660|14.226884|36.858105| |1.634618|1.841722|2.069464|2.385729|2.794808|3.344276|3.261871|6.603460|3.648819|0.071316|2.352396|2.030964|1.828898|1.615586|4.081506|0.108896|3.612420|4.682068|4.030760|3.859348|4.273923|2.859226|2.429026|2.564521|3.277007|8.008030|0.149846|7.822384|14.091744|8.617000|8.615565|14.155017|73.516695| |2.223116|2.613092|3.087323|3.800273|4.842448|6.318786|5.639647|10.581701|5.738054|0.104680|3.626862|2.913417|2.558677|2.153722|7.556349|0.197929|4.962116|5.848327|4.586221|4.401434|5.284577|3.467485|2.733367|3.371259|3.739014|17.176170|0.261712|7.547140|6.319424|4.677785|4.020823|4.498706|10.774796|36.858105| |2.106487|2.404558|2.833966|3.299696|4.140651|4.774808|4.055878|7.234620|4.488046|0.082527|3.030311|2.517064|2.295767|1.959425|5.828115|0.182915|4.175058|4.785070|3.988480|4.004139|4.857126|3.445890|2.720499|3.388787|3.973243|10.094125|0.156638|6.254473|5.310007|3.929066|3.569870|4.221780|10.262589|12.526118|36.858105| |1.895958|2.136060|2.477412|2.839990|3.487467|4.022066|3.520233|6.475755|3.933932|0.073654|2.646073|2.238001|2.051298|1.776467|5.084110|0.155921|3.962948|4.617951|3.934249|3.970598|4.744430|3.393315|2.723825|3.199520|4.092546|9.109707|0.143761|6.928530|6.168873|4.338132|3.995227|4.963337|13.067208|8.861468|17.616353|0.500000| |2.064576|2.323312|2.677260|3.018567|3.549870|3.837642|3.446949|6.097646|4.054758|0.075970|2.806983|2.403162|2.223699|1.924186|4.150059|0.126126|3.179891|3.802674|3.257026|3.255115|3.811998|2.751425|2.264500|2.793596|3.079596|6.610402|0.116060|4.226971|3.988943|3.208178|3.098525|3.691006|8.102506|7.503905|12.296899|0.244421|36.858105| |2.226626|2.465444|2.871246|3.119660|3.643655|3.659548|3.160554|5.341228|3.843315|0.071064|2.787895|2.407777|2.290925|1.976405|3.841357|0.122817|2.991743|3.518194|3.071039|3.134770|3.702105|2.777622|2.288136|2.947576|3.086180|5.468228|0.096626|3.508752|3.178181|2.634853|2.516007|2.886502|6.134457|5.387479|7.849200|0.168880|12.388034|36.858105| |2.233033|2.466109|2.936054|3.189910|3.913704|3.913098|3.193588|5.339404|3.802136|0.069364|2.768406|2.359283|2.254041|1.931177|4.412940|0.153564|3.434020|3.878145|3.409291|3.576272|4.360107|3.411811|2.725033|3.646308|3.962381|5.953281|0.100644|3.930053|3.349738|2.720075|2.528086|2.871798|6.275530|5.349082|8.294364|0.187991|7.983968|12.513391|36.858105| |2.292838|2.604408|3.159546|3.619112|4.755822|5.119172|3.965813|6.646995|4.464136|0.080155|3.144323|2.590561|2.409853|2.033092|6.399651|0.241519|4.512769|4.880097|4.133751|4.309893|5.458250|4.106487|3.112755|4.236126|4.814304|8.747306|0.135755|5.424052|4.255891|3.299868|2.948603|3.330157|7.656434|7.941522|13.513996|0.259557|8.032733|8.224388|13.449824|73.516695| |17.554474|8.820623|5.910672|4.282465|3.363003|2.786713|2.680462|4.091559|4.198369|0.079274|3.956999|4.572175|6.639909|6.510403|2.346932|0.064978|2.232039|2.907793|2.739404|2.743686|2.918529|2.100372|1.935112|2.439707|1.886678|2.786385|0.057037|1.788422|1.617940|1.526779|1.404954|1.415272|2.729447|2.032582|1.921256|0.048569|1.869854|1.993646|2.013744|3.694456|0.500000| |17.553530|8.819071|5.905046|4.279309|3.354783|2.778563|2.682318|4.108028|4.201013|0.079489|3.955749|4.571788|6.640429|6.512343|2.329760|0.065095|2.144412|2.768692|2.565194|2.561229|2.762878|1.995505|1.810921|2.304425|1.838343|2.818890|0.057455|1.794014|1.635814|1.534441|1.425558|1.450233|2.796929|2.120854|2.020432|0.050549|2.017505|2.179519|2.144323|3.863504|0.302577|0.500000| |17.592291|8.865590|7.330617|4.759532|3.835440|3.038694|2.786296|4.210589|4.217142|0.077435|3.969949|4.167729|5.532244|4.730557|2.572255|0.073249|2.384119|3.012385|2.811168|2.863973|3.130032|2.308215|2.087547|2.769952|2.090305|3.012741|0.060435|1.920638|1.717046|1.594260|1.466723|1.495682|2.918037|2.231019|2.153028|0.053842|2.107002|2.314956|2.355011|4.245444|0.302284|0.302246|0.500000| |7.067714|8.990020|17.701188|8.907543|7.001210|4.692368|3.911731|5.578009|5.744111|0.098203|5.651415|4.961280|5.638253|4.091527|3.738178|0.108175|3.312378|4.004056|3.611389|3.706027|4.243991|3.104882|2.651682|3.927199|2.754225|4.098640|0.080779|2.506028|2.161837|1.962735|1.769298|1.812618|3.623247|3.003313|2.857147|0.069551|2.697323|2.981693|3.126868|5.855885|0.153482|0.153220|0.226745|0.500000| |3.741054|4.670252|7.019087|8.839669|17.719644|9.072453|5.578649|7.610990|6.835651|0.110440|5.637231|4.177469|3.933807|3.007016|7.050598|0.219911|5.439252|5.831430|4.920959|5.134925|6.539565|4.662679|3.527016|6.114026|4.077782|6.480452|0.120281|3.686827|2.954123|2.570400|2.239820|2.312485|4.821501|4.515184|4.193750|0.098571|3.581979|3.860545|4.382308|9.286704|0.091528|0.091206|0.109734|0.212578|0.500000| |4.074157|5.603479|4.962227|5.634694|4.179647|3.951413|4.754362|7.127648|9.773258|0.218003|8.907150|17.714405|8.948181|7.090968|3.017381|0.076581|2.791320|3.887832|3.428215|3.172867|3.327599|2.189098|1.950424|2.356601|1.994993|3.762246|0.083018|2.293345|2.126231|2.055197|1.869102|1.838087|3.505776|2.730513|2.343394|0.058532|2.249830|2.215416|2.152952|4.198283|0.107528|0.107522|0.095757|0.107661|0.096399|0.500000| |6.544841|6.688717|4.606932|3.966156|3.060604|2.690762|2.800386|4.356907|4.648870|0.092995|4.307894|5.925420|8.852668|17.556904|2.221605|0.060004|2.061881|2.754642|2.535040|2.460153|2.599436|1.816484|1.655809|2.017874|1.678176|2.763901|0.057979|1.753772|1.630617|1.558221|1.452614|1.458819|2.772968|2.071242|1.910106|0.048059|1.906453|1.977195|1.910716|3.521796|0.174263|0.213206|0.133755|0.108105|0.078454|0.153682|0.500000| |6.542427|6.688910|4.609368|3.968927|3.066943|2.698353|2.798665|4.337894|4.646265|0.092676|4.310438|5.928870|8.855638|17.557713|2.236577|0.059914|2.139486|2.891702|2.702879|2.620525|2.727811|1.894465|1.749073|2.106736|1.714674|2.733418|0.057555|1.748636|1.613014|1.550316|1.430942|1.423345|2.707329|1.988921|1.825726|0.046350|1.780493|1.835327|1.816587|3.392378|0.213037|0.174233|0.133715|0.108184|0.078657|0.153786|0.302675|0.500000| |4.729494|5.536712|4.187997|3.975223|3.076976|2.806036|3.066332|4.805715|5.314306|0.111446|4.786605|7.363721|8.854398|17.605608|2.293611|0.060455|2.163303|2.966011|2.724055|2.591541|2.695297|1.839400|1.681862|2.004155|1.686173|2.871186|0.061498|1.818880|1.700520|1.646496|1.525833|1.511911|2.856508|2.111147|1.900583|0.048098|1.866643|1.887530|1.834029|3.453375|0.133266|0.133301|0.103947|0.096069|0.076492|0.227949|0.301735|0.301809|0.500000| |2.072372|2.256524|2.597008|2.771903|3.225119|3.253574|2.768193|4.608630|3.404227|0.063097|2.486826|2.179712|2.094387|1.829603|3.711122|0.105566|4.748376|5.726971|6.825548|9.940567|9.512146|8.741266|17.619363|6.954085|5.508471|4.121032|0.079061|3.064921|2.513109|2.318202|1.990718|1.967785|3.954770|2.544791|2.483506|0.068169|2.101437|2.127056|2.479823|4.993357|0.056504|0.051888|0.060152|0.075620|0.096644|0.056014|0.047529|0.050998|0.048553|0.500000| |1.933999|2.074028|2.390524|2.515282|2.954382|2.957230|2.487500|4.176517|3.045045|0.056540|2.232635|1.964829|1.906046|1.674619|3.470029|0.104641|4.077286|4.726895|5.212743|6.953920|7.649673|8.944820|17.581167|7.055108|7.036417|3.975593|0.074048|3.038804|2.494452|2.253476|1.966994|1.986188|4.027350|2.529948|2.586860|0.072131|2.190243|2.252458|2.706436|5.327112|0.052130|0.049014|0.056857|0.070987|0.091267|0.050466|0.044156|0.046391|0.044310|0.301108|0.500000| |1.814965|1.978899|2.261353|2.451925|2.886773|3.044598|2.628190|4.533342|3.155746|0.059169|2.242530|1.963280|1.864200|1.641346|3.688577|0.105287|4.735807|5.733472|6.871244|10.046944|9.505476|8.737230|17.626736|5.513474|6.942078|4.339017|0.081978|3.471614|2.833451|2.599399|2.214440|2.188114|4.423846|2.642236|2.618206|0.074261|2.177283|2.160674|2.542024|5.171472|0.049103|0.046214|0.052346|0.065213|0.085381|0.051099|0.042982|0.045275|0.043989|0.302101|0.301251|0.500000| |2.775591|3.140481|4.029834|4.423733|6.142006|5.531851|3.898142|6.008273|4.615102|0.080415|3.498832|2.861770|2.750439|2.270233|6.475620|0.237775|6.093067|5.970398|5.458291|6.425598|9.187623|8.719175|5.511642|17.594938|6.947710|6.068166|0.106862|3.942071|3.025323|2.593453|2.239063|2.319481|4.901501|3.932907|4.002636|0.101414|3.251612|3.499276|4.454331|9.456521|0.071280|0.068961|0.082989|0.125397|0.234348|0.070115|0.059786|0.061276|0.058807|0.140222|0.144465|0.122538|0.500000| |2.453740|2.646789|3.203470|3.306853|4.044153|3.738504|2.934314|4.697292|3.610597|0.065083|2.748924|2.367257|2.330986|1.991308|4.243828|0.138891|4.478300|4.831696|4.828644|5.970571|7.605371|8.874031|7.146938|17.586490|6.772479|4.500690|0.081973|3.165291|2.542215|2.238692|1.964123|2.021340|4.169049|2.959253|3.074243|0.081650|2.607375|2.810372|3.500993|6.833080|0.064614|0.061222|0.074150|0.100148|0.137869|0.059055|0.052698|0.054811|0.051662|0.177693|0.218943|0.143908|0.303894|0.500000| |2.806603|3.138382|3.894421|4.141843|5.139775|4.642250|3.562953|5.513074|4.401242|0.077820|3.383452|2.845930|2.765096|2.306566|4.972400|0.150016|5.657284|6.073886|6.080242|7.558685|9.688302|8.781763|6.843134|17.578763|5.483867|4.899406|0.092040|3.288881|2.622260|2.346506|2.022801|2.040658|4.181795|3.094906|3.008483|0.078361|2.538491|2.660671|3.155092|6.427632|0.074520|0.068298|0.083414|0.118880|0.171045|0.070072|0.059720|0.063743|0.059711|0.204385|0.169199|0.140187|0.299973|0.301434|0.500000| |1.820296|2.009788|2.336970|2.596974|3.204596|3.528111|2.947573|5.184296|3.388736|0.063014|2.357357|2.019252|1.892986|1.649399|4.799974|0.146722|5.560249|6.056162|6.139454|7.663727|9.624647|8.790855|6.909380|5.483868|17.571644|5.973768|0.104231|5.302286|3.969079|3.348292|2.808147|2.884944|6.200922|3.576886|3.736178|0.111149|2.905653|2.820723|3.492773|7.496297|0.048180|0.046941|0.052525|0.067440|0.095746|0.052433|0.043648|0.044639|0.044268|0.141003|0.171107|0.206818|0.141319|0.139252|0.122901|0.500000| |1.920081|2.084012|2.443672|2.627838|3.226372|3.318477|2.705588|4.594497|3.204777|0.059087|2.311916|1.996477|1.914932|1.667069|4.221942|0.139365|4.477250|4.843416|4.847026|5.988413|7.604561|8.869737|7.071433|6.832091|17.581471|4.989466|0.087449|3.961682|3.116190|2.659207|2.323103|2.431726|5.141881|3.227844|3.538832|0.101419|2.865066|2.957043|3.829790|7.689489|0.050578|0.049362|0.056472|0.072743|0.101683|0.051179|0.044442|0.045322|0.044187|0.143000|0.216069|0.175306|0.171865|0.200705|0.139410|0.301912|0.500000| |2.075919|2.316869|2.776753|3.117937|4.063711|4.414098|3.425107|5.821271|3.872766|0.070293|2.727622|2.283454|2.142705|1.832349|6.387940|0.235744|6.134879|6.045031|5.539376|6.515294|9.268779|8.695080|5.496770|6.869621|17.581825|7.385274|0.119655|5.821662|4.110319|3.297276|2.798691|2.974990|6.636918|4.579677|5.094913|0.144726|3.730729|3.728828|5.040626|11.747417|0.053954|0.053438|0.060451|0.081420|0.127411|0.058276|0.048720|0.049109|0.048716|0.122315|0.143465|0.140328|0.208151|0.167411|0.140974|0.299694|0.303507|0.500000| |1.879410|2.156671|2.492279|2.965195|3.690499|4.747959|4.315765|8.541134|4.512606|0.085027|2.865043|2.382371|2.120558|1.829777|7.085635|0.166894|7.963886|10.118433|8.039867|7.487519|8.587232|4.816408|3.827046|3.820475|5.235288|12.393003|0.222973|17.725566|9.121830|6.946731|4.687918|4.501054|10.342935|5.572364|4.725319|0.140331|3.447048|2.998840|3.373807|7.904797|0.049500|0.048860|0.052589|0.068210|0.099087|0.063174|0.047930|0.048536|0.050167|0.095564|0.091735|0.111147|0.109893|0.090707|0.096804|0.163501|0.113245|0.157584|0.500000| |1.872188|2.123638|2.475692|2.887215|3.644738|4.452444|3.820636|7.186552|4.105525|0.076548|2.702141|2.258183|2.048740|1.768114|6.682205|0.190776|5.879180|6.584180|5.544751|5.655492|6.971512|4.664694|3.594485|3.885974|5.926616|12.274189|0.180424|17.671241|8.909833|5.653861|4.447127|4.900877|12.941770|6.869773|7.004360|0.237838|4.519556|3.825662|4.536417|11.370338|0.048719|0.049046|0.053041|0.069202|0.102327|0.059200|0.046994|0.046708|0.048022|0.087236|0.090881|0.101172|0.117422|0.095183|0.093689|0.176865|0.130584|0.208302|0.301393|0.500000| |1.608175|1.830186|2.025141|2.368751|2.704866|3.333916|3.530478|7.714785|3.936661|0.079463|2.436723|2.116645|1.865052|1.657813|3.921666|0.094785|4.076837|6.255696|5.459558|4.714024|4.721165|2.872515|2.544050|2.487157|2.995361|6.924939|0.159128|6.399085|8.825888|17.786287|8.449339|5.856477|10.438030|4.105944|3.417601|0.101475|2.822895|2.389489|2.482310|5.322028|0.042768|0.042527|0.044200|0.054214|0.070372|0.058381|0.043538|0.043801|0.046518|0.066771|0.063326|0.074628|0.070999|0.061820|0.066136|0.091251|0.071871|0.087255|0.191658|0.136234|0.500000| |1.386732|1.549094|1.681829|1.911065|2.115471|2.472334|2.607780|5.450977|3.078117|0.063148|1.966779|1.762869|1.581329|1.435526|2.758447|0.070951|2.682143|3.831711|3.474207|3.189610|3.259456|2.138666|1.934224|1.928006|2.292286|4.728506|0.102059|4.046860|5.847469|8.453950|17.813656|8.827929|10.441923|3.332550|2.992869|0.091086|2.684518|2.227168|2.220574|4.505684|0.036804|0.037291|0.038124|0.045272|0.055877|0.049057|0.038329|0.037805|0.040430|0.050781|0.049925|0.056116|0.055584|0.049452|0.051063|0.068538|0.057560|0.067516|0.106385|0.099297|0.193297|0.500000| |1.427777|1.584921|1.739026|1.958228|2.199699|2.526001|2.544742|5.099577|2.996476|0.060025|1.961490|1.746814|1.588892|1.433444|2.863375|0.077205|2.616080|3.493335|3.125633|2.991865|3.203614|2.192151|1.939259|2.012463|2.453301|5.013408|0.099922|4.269284|6.035062|5.818917|8.619640|17.837912|16.492958|3.960863|3.915100|0.127530|3.636748|2.846629|2.775769|5.520538|0.037441|0.038618|0.039656|0.047467|0.059309|0.047793|0.038758|0.037570|0.039887|0.050080|0.051053|0.055334|0.059326|0.052240|0.052142|0.072065|0.062513|0.074955|0.101675|0.114418|0.123135|0.195206|0.500000| |2.498287|3.004404|3.603163|4.589132|5.860457|7.598125|6.804091|11.686070|6.925213|0.122448|4.370724|3.404794|2.945784|2.428206|7.347180|0.190363|4.719065|5.611684|4.397518|4.204689|5.021625|3.304528|2.620715|3.362618|3.411286|12.401980|0.224917|5.570436|4.775573|3.865724|3.392604|3.676336|8.111786|17.677420|8.889052|0.174182|6.965026|5.509303|5.175166|12.668771|0.062613|0.066247|0.069173|0.095565|0.144469|0.087332|0.064867|0.061449|0.065843|0.068987|0.067593|0.069310|0.110817|0.081752|0.087642|0.088696|0.083119|0.113541|0.126790|0.142691|0.098346|0.080946|0.092417|0.500000| |2.039102|2.376092|2.726628|3.297951|3.949677|5.003493|5.006241|10.229413|5.287000|0.100752|3.281850|2.715293|2.374535|2.036402|5.617837|0.143335|4.185491|5.272193|4.217248|3.968850|4.566127|2.985167|2.439312|2.861114|3.212270|12.445940|0.238067|6.871029|7.075963|5.348408|4.775400|5.472823|12.890325|17.658969|8.900897|0.214761|6.806083|4.648371|4.369414|10.182447|0.052175|0.054562|0.056348|0.072946|0.101338|0.072362|0.054544|0.052164|0.056142|0.063507|0.062882|0.066575|0.089802|0.070896|0.074070|0.087961|0.078233|0.105226|0.142988|0.165642|0.125035|0.107915|0.131854|0.302579|0.500000| |2.121225|2.411331|2.747189|3.129986|3.576443|3.891622|3.664457|6.538645|4.367454|0.082676|2.987960|2.566588|2.346560|2.031045|3.970532|0.115056|3.048700|3.736598|3.174855|3.117722|3.595318|2.537779|2.111377|2.589058|2.751412|6.386199|0.118135|3.923795|3.821216|3.174160|3.094162|3.619229|7.626801|7.454380|8.644382|0.181259|17.577971|8.706832|5.811840|10.833063|0.053203|0.058030|0.059377|0.075307|0.096780|0.067244|0.056034|0.051655|0.055094|0.055167|0.056345|0.056472|0.083036|0.066675|0.066744|0.072612|0.070772|0.090315|0.090315|0.110468|0.078134|0.075257|0.099089|0.213629|0.204944|0.500000| |1.850622|2.053024|2.324290|2.580015|2.972388|3.210556|2.954374|5.339015|3.519581|0.067097|2.433204|2.124135|1.977657|1.739372|3.518679|0.105460|2.831216|3.445566|3.005374|3.007148|3.461930|2.516710|2.114481|2.509356|2.859351|5.665631|0.101510|3.910673|3.888558|3.161053|3.168587|3.910319|8.399324|5.847075|8.766867|0.231920|17.601486|8.735621|6.443608|10.913504|0.046987|0.050449|0.052436|0.065137|0.083484|0.055874|0.047980|0.044975|0.047107|0.054333|0.057161|0.057140|0.079210|0.065940|0.063383|0.076486|0.074857|0.094478|0.089223|0.117656|0.076224|0.076502|0.111508|0.144658|0.161805|0.303434|0.500000| |2.505294|2.797155|3.284901|3.545680|4.062129|3.921505|3.383429|5.559055|4.208069|0.077047|3.123521|2.690707|2.574128|2.195113|3.863980|0.121689|2.981300|3.522798|3.059621|3.104766|3.656577|2.716545|2.241130|2.961407|2.908506|5.290404|0.095766|3.261203|2.938018|2.485285|2.354474|2.637355|5.502381|5.138199|6.400023|0.136255|8.770269|17.574819|8.869250|12.355859|0.061342|0.068460|0.072334|0.094629|0.118867|0.067941|0.061376|0.056091|0.057798|0.058676|0.061055|0.058276|0.098650|0.077919|0.075645|0.073276|0.077132|0.095941|0.078936|0.095731|0.063584|0.058431|0.071656|0.160116|0.122321|0.223484|0.175494|0.500000| |2.059906|2.234343|2.544280|2.696416|3.048239|3.032731|2.688970|4.590949|3.340426|0.062702|2.441127|2.159874|2.081545|1.827924|3.163224|0.099186|2.571731|3.077557|2.735585|2.798022|3.245948|2.460158|2.077517|2.599461|2.737206|4.501760|0.081436|3.005805|2.801390|2.371646|2.311608|2.658041|5.488923|4.215799|5.733737|0.138063|8.672017|17.604801|8.722916|10.384018|0.051495|0.056574|0.059613|0.073639|0.089596|0.055667|0.051214|0.047355|0.048558|0.053773|0.057412|0.054797|0.083635|0.070204|0.065620|0.070294|0.074378|0.089493|0.072605|0.090992|0.059873|0.057548|0.074390|0.118084|0.106611|0.189455|0.221362|0.301821|0.500000| |2.414961|2.637939|3.183639|3.358057|4.104836|3.871375|3.097544|5.048001|3.767231|0.068166|2.826036|2.417954|2.353051|2.006329|4.221493|0.149230|3.364412|3.774244|3.361781|3.576254|4.378859|3.535275|2.826424|3.997638|3.983723|5.302994|0.091597|3.474578|2.936342|2.443697|2.256905|2.503729|5.344087|4.465285|5.943138|0.139716|5.703078|8.654737|17.635589|16.694400|0.060100|0.064014|0.072034|0.097245|0.134427|0.060539|0.055268|0.052688|0.052331|0.071862|0.079078|0.071768|0.139040|0.109072|0.095538|0.094619|0.109841|0.137127|0.085949|0.109286|0.063151|0.055736|0.067032|0.125699|0.102305|0.128978|0.132677|0.218951|0.193203|0.500000| 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