Version2.0 2020-01-07T10:00:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1C[C@H](C[NH+](C1)CCC(=O)O[C@@H]2CC[C@]3([C@@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)C[C@H]([C@@H]5C(=O)C)C)C)C)C C12858369 RHF 6-31G(d) (6D,7F) C[C@@H]1C[C@H](C[NH+](C1)CCC(=O)O[C@@H]2CC[C@]3([C@@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)C[C@H]([C@@H]5C(=O)C)C)C)C)C C01[X(C32H52N1O3)] 258 C1 644 C[C@H]1C[NH+](CCC(=O)O[C@@H]2CC[C@@]3(C(=CC[C@@H]4[C@H]3CC[C@]3([C@H]4C[C@H]([C@@H]3C(=O)C)C)C)C2)C)C[C@@H](C1)C C[C@H]1C[NH+](CCC(=O)O[C@@H]2CC[C@@]3(C(=CC[C@@H]4[C@H]3CC[C@]3([C@H]4C[C@H]([C@@H]3C(=O)C)C)C)C2)C)C[C@@H](C1)C C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)O[C@@H]2CC[C@@]3(C)[C@@H]4CC[C@@]5(C)[C@@H](C[C@@H](C)[C@@H]5C(C)=O)[C@@H]4CC=C3C2)C1 InChIKey=LLKWFOGYGSHBRH-XRNXMJIBSA-O InChI=1S/C32H51NO3/c1-20-15-21(2)19-33(18-20)14-11-29(35)36-25-9-12-31(5)24(17-25)7-8-26-27(31)10-13-32(6)28(26)16-22(3)30(32)23(4)34/h7,20-22,25-28,30H,8-19H2,1-6H3/p+1/t20-,21-,22-,25-,26-,27-,28+,30-,31-,32+/m1/s1 InChI=1/C32H51NO3/c1-20-15-21(2)19-33(18-20)14-11-29(35)36-25-9-12-31(5)24(17-25)7-8-26-27(31)10-13-32(6)28(26)16-22(3)30(32)23(4)34/h7,20-22,25-28,30H,8-19H2,1-6H3/p+1/t20-,21-,22-,25-,26-,27-,28+,30-,31-,32+/m1/s1/fC32H52NO3/h33H/q+1 C[C@@H]1C[C@H](C[NH+](C1)CCC(=O)O[C@@H]2CC[C@]3([C@@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)C[C@H]([C@@H]5C(=O)C)C)C)C)C C01[X(C32H52N1O3)] 258 C01 644 C[C@H]1C[NH+](CCC(=O)O[C@@H]2CC[C@@]3(C(=CC[C@@H]4[C@H]3CC[C@]3([C@H]4C[C@H]([C@@H]3C(=O)C)C)C)C2)C)C[C@@H](C1)C C[C@H]1C[NH](CCC(=O)O[C@@H]2CC[C@@]3(C(=CC[C@@H]4[C@H]3CC[C@]3([C@H]4C[C@H]([C@@H]3C(=O)C)C)C)C2)C)C[C@@H](C1)C C[C@@H]1C[C@@H](C)C[NH](CCC(=O)O[C@@H]2CC[C@@]3(C)[C@@H]4CC[C@@]5(C)[C@@H](C[C@@H](C)[C@@H]5C(C)=O)[C@@H]4CC=C3C2)C1 InChIKey=GPAZYBKRKCWWRA-XRNXMJIBSA-N InChI=1S/C32H52NO3/c1-20-15-21(2)19-33(18-20)14-11-29(35)36-25-9-12-31(5)24(17-25)7-8-26-27(31)10-13-32(6)28(26)16-22(3)30(32)23(4)34/h7,20-22,25-28,30,33H,8-19H2,1-6H3/t20-,21-,22-,25-,26-,27-,28+,30-,31-,32+/m1/s1 InChI=1/C32H52NO3/c1-20-15-21(2)19-33(18-20)14-11-29(35)36-25-9-12-31(5)24(17-25)7-8-26-27(31)10-13-32(6)28(26)16-22(3)30(32)23(4)34/h7,20-22,25-28,30,33H,8-19H2,1-6H3/t20-,21-,22-,25-,26-,27-,28+,30-,31-,32+/m1/s1 3971.3807304724 -1520.9302432 1-A 39196.7674 137 507 644 |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|A|A|A|A|A|A| -20.70825 -20.66137 -20.58768 -15.84846 -11.49644 -11.43817 -11.43695 -11.43621 -11.38788 -11.38185 -11.38177 -11.37402 -11.36265 -11.36027 -11.35106 -11.34230 -11.30583 -11.29983 -11.29945 -11.29113 -11.29040 -11.28402 -11.28359 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0.4209 0.8352 0.6289 0.8394 0.3268 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 6 6 1 6 6 1 6 7 1 6 6 6 6 8 8 6 1 6 6 6 6 1 6 6 6 6 1 6 1 6 6 6 6 6 6 1 6 1 6 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 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 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 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 1.00783 5915.4867 65623.8255 66630.7404 1.00000 0.00109 -0.00216 -0.00106 0.99991 0.01369 0.00218 -0.01369 0.99990 1 0.01464 0.00132 0.00130 0.30509 0.02750 0.02709 13.09 15.73 29.30 43.82 68.03 75.17 87.28 94.02 102.85 105.64 135.23 154.88 169.79 186.08 199.43 209.20 218.90 252.78 266.56 286.10 308.52 316.16 330.95 343.04 357.29 358.40 367.89 377.38 391.06 408.34 420.51 431.88 454.59 461.00 484.04 488.02 509.53 524.61 537.21 540.18 556.33 574.91 586.80 623.10 631.22 633.58 662.86 675.42 683.40 696.87 721.61 732.36 743.90 745.91 765.09 801.99 814.70 845.02 885.97 908.14 925.30 940.48 962.41 984.98 1000.75 1037.64 1118.25 1128.66 1133.03 1196.67 1222.50 1247.13 1253.26 1281.93 1293.63 1301.62 1307.71 1338.97 1342.66 1351.79 1374.09 1384.81 1403.12 1416.53 1424.50 1446.99 1456.67 1470.55 1476.97 1481.29 1488.87 1495.13 1514.46 1514.89 1526.75 1529.70 1545.87 1548.67 1551.81 1561.48 1574.94 1593.44 1594.91 1615.15 1620.91 1624.81 1647.57 1650.88 1657.08 1669.92 1702.56 1713.83 1719.71 1730.08 1739.98 1744.92 1751.18 1761.51 1767.38 1779.40 1803.80 1809.05 1821.88 1840.08 1848.28 1857.16 1863.56 1875.13 1877.05 1885.93 1902.19 1928.22 1929.24 1950.13 1988.91 1996.26 2002.56 2014.42 2019.97 2028.67 2033.72 2059.16 2065.21 2067.93 2076.61 2086.55 2100.72 2113.48 2118.46 2125.56 2127.45 2130.84 2140.89 2161.78 2166.16 2172.97 2174.22 2176.32 2190.53 2194.45 2197.36 2203.24 2211.98 2215.91 2218.71 2221.23 2223.81 2239.06 2242.11 2247.92 2251.99 2261.57 2268.28 2270.26 2276.73 2279.66 2280.43 2288.55 2297.26 2318.28 2332.75 2332.95 2345.86 2349.46 2350.23 2352.09 2355.66 2359.54 2360.39 2361.13 2361.40 2364.49 2367.86 2368.46 2371.29 2374.26 2379.59 2386.08 2390.70 2393.09 2395.14 2403.37 2408.04 2745.99 2873.06 2884.88 4568.40 4578.39 4585.87 4590.06 4596.84 4610.12 4611.12 4613.95 4617.45 4619.55 4620.32 4623.79 4623.95 4624.98 4637.47 4638.54 4642.17 4643.27 4655.69 4658.72 4664.28 4667.06 4668.68 4670.58 4677.66 4681.89 4693.74 4694.28 4697.21 4699.30 4704.03 4705.59 4706.23 4707.55 4708.10 4716.40 4726.71 4733.47 4741.39 4742.46 4742.58 4745.60 4748.28 4757.26 4768.15 4779.38 4782.38 4783.30 4787.94 4808.73 4835.60 5324.19 0.862948 0.897218 0.898162 0.794762 -1520.067296 -1520.033025 -1520.032081 -1520.135481 3.468053D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE C[C@@H]1C[C@H](C[NH+](C1)CCC(=O)O[C@@H]2CC[C@]3([C@@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)C[C@H]([C@@H]5C(=O)C)C)C)C)C C12858369 RHF 6-31G(d) (6D,10F) C1 498.394720 |X|Y|Z| 47.241560 40.430794 187.961933 71.072589 27 6 7 8 25 1 1 |36.858105| |12.445401|36.858105| |8.939262|17.514328|0.500000| |7.500861|12.431395|0.245957|36.858105| |4.867358|7.456555|0.186949|12.403278|36.858105| |4.087338|5.502375|0.137927|8.907193|17.551812|0.500000| |4.393223|6.479642|0.158537|7.589689|12.457611|0.252783|36.858105| |4.950456|7.587390|0.191677|6.504628|7.565595|0.155392|12.639430|53.358707| |4.662495|7.119246|0.210995|5.951725|7.107196|0.144205|9.315971|25.715593|0.500000| |7.626821|12.462434|0.248381|7.578489|6.458046|0.137080|7.682647|17.231525|0.258707|36.858105| |3.800880|4.926418|0.127918|4.380755|4.953529|0.115862|7.691198|17.241695|0.258940|7.576504|36.858105| |3.509879|4.255176|0.116797|3.566452|3.790293|0.089970|4.961161|10.260465|0.200913|6.114369|12.502463|36.858105| |2.774997|3.201728|0.087533|2.834830|3.036157|0.075376|3.863074|6.750794|0.132247|4.207862|7.670601|12.533103|36.858105| |2.546673|2.935990|0.079082|2.708192|2.962159|0.075310|3.833698|6.197206|0.118004|3.776925|7.069248|8.011346|16.012096|73.516695| |2.544104|2.838011|0.078972|2.486027|2.599326|0.064936|3.134752|5.348023|0.108642|3.564830|5.232696|8.174628|14.618527|15.193872|73.516695| |2.141842|2.341762|0.064949|2.108005|2.206101|0.056320|2.605952|4.192506|0.084825|2.829652|3.915125|5.132210|7.993306|12.312857|23.317866|36.858105| |2.096876|2.285798|0.062422|2.085742|2.186083|0.056361|2.608589|4.113659|0.081252|2.776671|3.906515|4.799666|7.585777|13.763037|16.493649|17.637344|0.500000| |2.030244|2.159021|0.060086|1.925886|1.969964|0.050404|2.261870|3.618419|0.073552|2.551108|3.195723|4.101243|5.329859|8.188863|14.218164|12.551388|0.245852|36.858105| |1.747796|1.844589|0.051280|1.677881|1.721436|0.044641|1.950703|3.022565|0.061412|2.129131|2.609817|3.141350|3.934278|6.565277|9.027453|7.608792|0.188368|12.422101|36.858105| |1.622898|1.730159|0.048521|1.592796|1.656250|0.043134|1.866460|2.851067|0.058670|1.970514|2.438044|2.877017|3.564483|6.099363|7.830283|6.318904|0.154199|7.313888|12.233789|36.858105| 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|1.696060|1.840718|0.051566|1.708444|1.807581|0.047097|2.069465|3.150073|0.064821|2.117771|2.758874|3.235910|4.213693|7.496146|8.978631|7.643967|0.189402|6.520413|7.684344|12.451363|7.424822|0.181699|4.822492|4.081662|3.918456|5.145334|0.161108|6.487966|0.136429|7.595127|14.419708|36.858105| |1.945659|2.148279|0.060424|1.969688|2.100474|0.053996|2.451160|3.836705|0.079508|2.525172|3.475176|4.301744|6.066765|10.244817|13.882013|12.502887|0.246491|7.560674|6.490797|7.360741|4.818893|0.125731|3.654161|3.223448|3.056489|3.737501|0.117491|4.279460|0.098119|4.900445|7.749057|12.546620|36.858105| |1.204420|1.283679|0.036172|1.224301|1.290415|0.034381|1.412788|2.049354|0.042493|1.404143|1.672824|1.821235|2.080807|3.757361|4.005895|2.635189|0.071041|2.609085|3.060530|4.011748|4.785516|0.111786|4.348848|5.027222|7.847789|12.425868|0.251118|7.183462|0.180079|6.040170|4.629107|4.014013|3.143402|36.858105| |1.135739|1.204125|0.034072|1.147532|1.203595|0.032069|1.303752|1.889537|0.039359|1.304351|1.520901|1.654703|1.851566|3.299515|3.567223|2.287549|0.061009|2.311982|2.660339|3.350489|3.854423|0.091144|3.879584|4.942237|7.758105|7.798564|0.191518|4.918719|0.129173|4.107215|3.473329|3.222495|2.662712|12.249946|36.858105| |1.071727|1.132213|0.031956|1.082974|1.133578|0.030313|1.223951|1.764024|0.036625|1.222240|1.414139|1.526068|1.697935|3.039449|3.244088|2.065193|0.055701|2.089989|2.396156|2.919359|3.401685|0.083175|3.486706|4.309352|6.463299|5.982445|0.142216|4.274610|0.119432|3.635623|3.041112|2.808478|2.354570|8.774328|17.620030|0.500000| |1.160695|1.223409|0.034658|1.156402|1.203567|0.031927|1.301999|1.904502|0.039694|1.326405|1.531374|1.687126|1.883906|3.308261|3.694950|2.380256|0.062691|2.491824|2.924138|3.694580|4.320477|0.098985|4.809369|7.258206|12.214570|8.072457|0.208714|5.028184|0.130546|3.860163|3.365847|3.306276|2.722841|7.704134|12.277697|0.246545|36.858105| |1.210662|1.278907|0.036402|1.203727|1.253395|0.033118|1.354786|1.992957|0.041776|1.386125|1.599959|1.777712|1.978461|3.437951|3.914402|2.506865|0.064866|2.633936|3.043803|3.897936|4.264030|0.096185|4.673161|7.013453|8.882975|7.237286|0.226988|4.687515|0.115791|3.721218|3.425208|3.472329|2.904430|6.452852|8.796075|0.176351|17.499905|0.500000| |1.077660|1.128003|0.031953|1.067757|1.105114|0.029383|1.185948|1.727983|0.035988|1.213466|1.375218|1.505292|1.655662|2.899723|3.224457|2.037378|0.053972|2.152661|2.482060|2.959653|3.400626|0.081752|3.950088|5.667660|7.286151|5.021842|0.131352|3.729198|0.102089|2.998302|2.666554|2.647880|2.262111|5.011079|7.413623|0.203029|12.499994|0.249702|36.858105| |1.016463|1.062407|0.030021|1.010676|1.046235|0.027926|1.120367|1.621806|0.033682|1.139660|1.287316|1.396060|1.530663|2.700029|2.949266|1.853299|0.049658|1.939451|2.220241|2.594686|2.998751|0.074220|3.401232|4.476934|5.752230|4.288345|0.108638|3.349848|0.094965|2.768378|2.430128|2.370357|2.040791|4.583322|6.619638|0.217400|7.999205|0.166391|15.958571|73.516695| |1.080262|1.125363|0.031981|1.060059|1.091036|0.028928|1.164843|1.704875|0.035613|1.205560|1.347622|1.483009|1.613407|2.793097|3.161248|1.971587|0.051723|2.118706|2.407375|2.796019|3.085013|0.074737|3.681355|5.220704|5.417708|3.996065|0.111155|3.164956|0.085324|2.597272|2.402012|2.459727|2.156284|3.765144|4.907018|0.129750|7.344001|0.202330|12.581111|14.350275|36.858105| |1.128279|1.201029|0.034170|1.147747|1.209076|0.032219|1.302454|1.881293|0.039463|1.292659|1.501790|1.627266|1.798304|3.193543|3.436510|2.155457|0.056999|2.146670|2.384184|2.949962|3.164259|0.076074|3.125639|3.830815|5.050593|5.369594|0.152835|3.810154|0.097847|3.458693|3.128909|2.934026|2.531631|7.389389|12.462781|0.248963|7.439229|0.202412|5.703607|9.209463|4.365936|36.858105| |1.131131|1.184342|0.033186|1.122089|1.161877|0.030956|1.264074|1.842457|0.037887|1.292209|1.493820|1.633571|1.846051|3.289388|3.601524|2.368428|0.064529|2.510853|3.089925|3.732344|5.096727|0.124369|6.074064|7.567448|12.350141|7.368316|0.152021|6.131442|0.198924|4.267632|3.392547|3.247840|2.598417|6.295059|6.203650|0.175022|7.497478|0.153312|6.367262|10.693565|4.667135|4.161979|36.858105| |1.617261|1.721730|0.048925|1.574507|1.632347|0.042295|1.814389|2.787350|0.058333|1.935331|2.329229|2.777550|3.279977|5.418746|7.255115|5.172881|0.119560|6.141965|7.578353|12.322441|7.275144|0.153583|6.329548|5.810796|4.695308|5.314364|0.185420|5.399527|0.118529|4.627806|5.379470|7.610890|6.153609|3.867141|3.462233|0.082060|4.002159|0.126034|3.202257|4.835860|3.146987|3.153608|3.550151|36.858105| |4.120933|5.909269|0.179894|7.416674|12.414022|0.249038|7.479719|8.211335|0.189715|5.035401|4.268694|3.532961|2.862959|4.899577|4.458571|2.138295|0.057891|1.916254|1.681495|1.641245|1.457991|0.040188|1.340200|1.285360|1.253843|1.360400|0.039992|1.409165|0.036654|1.510093|1.710493|1.792213|2.084199|1.302729|1.222072|0.031893|1.220199|0.035478|1.120587|1.882788|1.109028|1.239025|1.160719|1.641982|36.858105| |17.549783|8.761644|0.173685|6.789901|4.524144|0.110394|4.232384|6.231604|0.114433|6.878455|3.676398|3.328206|2.697752|4.474036|4.371429|2.093976|0.057720|1.985713|1.719572|1.587559|1.421787|0.040024|1.330978|1.248446|1.187878|1.260000|0.036570|1.330089|0.035065|1.390707|1.548272|1.657993|1.887987|1.179681|1.109554|0.029162|1.132672|0.032677|1.052615|1.769597|1.052398|1.097574|1.114358|1.565817|3.663647|0.500000| |17.559416|8.749836|0.214123|5.460445|4.033322|0.095008|3.844708|6.236533|0.122877|6.943082|3.704064|3.628231|2.859685|4.569895|4.763500|2.240034|0.060349|2.155791|1.839282|1.693590|1.498974|0.041870|1.410672|1.327754|1.253095|1.325050|0.038748|1.390261|0.036432|1.441231|1.613405|1.752768|2.014257|1.232758|1.164741|0.030480|1.197705|0.034787|1.112678|1.860266|1.120106|1.154763|1.165918|1.697850|3.599091|0.300975|0.500000| |17.585157|8.824191|0.214441|6.860354|4.503305|0.108356|3.834407|5.568462|0.110884|5.530115|3.208889|2.986480|2.427229|3.998352|4.002782|1.927338|0.052326|1.838074|1.602346|1.500602|1.344257|0.037489|1.266624|1.201773|1.145459|1.211313|0.035311|1.263725|0.033245|1.315151|1.460774|1.563241|1.775888|1.139456|1.079931|0.028365|1.102511|0.031939|1.028011|1.727047|1.032451|1.076654|1.070704|1.503906|4.001255|0.301958|0.302329|0.500000| |7.000812|8.875590|0.174084|17.514398|8.845068|0.223043|6.800629|7.719515|0.136066|6.800484|4.150902|3.347543|2.730652|4.712159|4.248027|2.049072|0.057037|1.876841|1.644096|1.551455|1.394166|0.039161|1.289168|1.215316|1.173570|1.259422|0.036530|1.327877|0.034965|1.412204|1.578506|1.660497|1.898562|1.193552|1.116422|0.029351|1.124532|0.032381|1.039836|1.754145|1.030332|1.111562|1.101490|1.519748|5.474951|0.208030|0.141731|0.174201|0.500000| |6.822615|8.844440|0.215151|17.574921|8.827317|0.209061|5.521275|6.644472|0.132272|5.518798|3.549923|3.029870|2.472638|4.202061|3.937612|1.905396|0.052163|1.760972|1.549134|1.478689|1.327933|0.036966|1.236363|1.177828|1.138329|1.217549|0.035482|1.268846|0.033332|1.341345|1.496051|1.575862|1.798183|1.158396|1.092037|0.028683|1.100577|0.031829|1.020843|1.720395|1.016104|1.095854|1.064228|1.471633|6.982293|0.166962|0.140083|0.204228|0.303976|0.500000| |4.258696|5.756482|0.133157|6.819549|8.767969|0.221513|17.606692|12.451344|0.182279|7.075218|7.114308|4.596466|3.741139|6.791554|5.381768|2.555724|0.072489|2.225481|1.930528|1.830332|1.627402|0.045886|1.470019|1.373501|1.335705|1.460157|0.042399|1.559192|0.040787|1.697738|1.936798|2.022879|2.368208|1.382835|1.272415|0.033296|1.270587|0.036539|1.159195|1.952229|1.136064|1.263291|1.248632|1.757548|5.468607|0.121002|0.103023|0.102243|0.199667|0.139398|0.500000| |3.549158|4.861585|0.127768|5.500662|8.763370|0.211861|17.627153|12.374728|0.223570|5.614538|7.286081|4.798722|3.931713|7.163149|5.613377|2.659268|0.074037|2.268169|1.971764|1.914427|1.688692|0.047052|1.515462|1.429568|1.400825|1.546327|0.045268|1.635912|0.042430|1.797438|2.075687|2.156376|2.562902|1.474483|1.354893|0.035278|1.343392|0.038830|1.218201|2.046904|1.190740|1.358770|1.298372|1.856653|6.998561|0.094892|0.089112|0.088603|0.139188|0.123231|0.301488|0.500000| |6.920561|8.800232|0.216434|5.507320|4.852801|0.108201|5.606622|12.343292|0.223003|17.653141|7.080297|7.012334|4.593631|6.942731|7.144270|3.095417|0.082863|2.832899|2.312954|2.112962|1.819075|0.050853|1.669481|1.552454|1.465445|1.578861|0.046509|1.677548|0.043426|1.768902|2.039066|2.246587|2.704485|1.456253|1.354541|0.035152|1.388048|0.040442|1.268592|2.108912|1.265915|1.338857|1.349507|2.090035|4.203084|0.168765|0.207079|0.141563|0.139448|0.123500|0.144818|0.126624|0.500000| |6.918979|8.768373|0.173794|6.804935|5.733987|0.131716|7.063835|12.443599|0.182099|17.592699|7.019144|5.454340|4.047509|6.691687|6.051917|2.763216|0.077110|2.495977|2.101039|1.927072|1.693939|0.047895|1.548410|1.434856|1.368459|1.477035|0.043016|1.581261|0.041331|1.684884|1.920898|2.067404|2.433932|1.374782|1.272948|0.033251|1.292995|0.037326|1.184582|1.984156|1.173342|1.254405|1.275452|1.865566|4.269982|0.204901|0.171342|0.140875|0.199473|0.139265|0.215469|0.144890|0.301348|0.500000| |3.752763|4.623839|0.114254|4.222488|4.568069|0.111415|6.917419|12.385667|0.181896|7.094438|17.642340|8.785515|6.803064|12.200218|8.512605|3.752314|0.108438|3.107183|2.567309|2.359578|2.037437|0.057957|1.803249|1.648784|1.583630|1.748960|0.051013|1.908191|0.049392|2.093160|2.462756|2.645506|3.241912|1.620126|1.469481|0.038149|1.480008|0.042655|1.333654|2.228078|1.304139|1.440041|1.467603|2.214911|3.749321|0.105474|0.100793|0.087313|0.117766|0.094743|0.210942|0.174332|0.179587|0.217279|0.500000| |3.240363|4.142199|0.110588|3.943067|4.769155|0.115594|7.441689|12.398783|0.219317|5.587521|17.666170|8.883795|7.184859|13.432005|8.712053|3.851974|0.107642|3.063146|2.559648|2.452986|2.096914|0.058619|1.836842|1.703134|1.655962|1.856291|0.054725|2.001336|0.051202|2.231535|2.680731|2.848363|3.597511|1.736680|1.569374|0.040485|1.563914|0.045341|1.397381|2.329274|1.360199|1.556800|1.518547|2.332189|4.275070|0.087173|0.086842|0.078569|0.103576|0.091059|0.185991|0.236719|0.143273|0.146051|0.303385|0.500000| |3.409135|4.183187|0.121758|3.486208|3.754390|0.088161|4.669477|9.430774|0.217336|5.543672|8.765802|17.531046|8.977097|11.115279|13.063801|4.790484|0.118463|3.926307|3.039141|2.863302|2.333455|0.063865|2.070285|1.926256|1.823918|2.024213|0.061100|2.150569|0.054102|2.314416|2.822409|3.214443|4.313602|1.847039|1.690724|0.043107|1.725496|0.050963|1.537991|2.525539|1.522237|1.680276|1.635896|2.860155|3.716857|0.087158|0.098554|0.082222|0.088170|0.083964|0.114330|0.128523|0.177385|0.129700|0.172264|0.207672|0.500000| |3.840310|4.441846|0.120034|3.547108|3.551568|0.084456|4.422040|8.986932|0.171796|6.528488|8.711881|17.599173|8.993060|11.011477|13.338381|4.842655|0.125852|4.183967|3.150729|2.794390|2.307635|0.064655|2.064320|1.880988|1.758098|1.923425|0.057127|2.082084|0.053091|2.214057|2.644128|3.023193|3.878383|1.737900|1.590648|0.040884|1.638325|0.047903|1.472826|2.427679|1.461391|1.555945|1.598754|2.711995|3.264280|0.101437|0.114530|0.088848|0.093591|0.084072|0.117386|0.113397|0.237762|0.164213|0.211054|0.172866|0.303423|0.500000| |2.068034|2.196714|0.062004|1.939090|1.975793|0.050223|2.240428|3.618997|0.074959|2.566660|3.117301|4.079235|4.944954|7.316986|13.271520|8.923877|0.174512|17.567713|8.744309|6.515057|4.367079|0.116002|3.847650|3.305131|2.835568|3.094617|0.095579|3.412669|0.082585|3.335321|4.083868|5.675384|6.784327|2.542369|2.302837|0.057497|2.512543|0.075228|2.181455|3.463060|2.184456|2.169086|2.433063|6.703248|1.948055|0.055517|0.061550|0.052198|0.051979|0.049517|0.060426|0.062221|0.080183|0.068514|0.082299|0.082531|0.113606|0.116754|0.500000| |2.122604|2.224752|0.061232|1.969058|1.984651|0.050761|2.277963|3.661349|0.073287|2.649321|3.222336|4.107724|5.139340|7.880990|12.814820|8.894341|0.216797|17.545889|8.838665|5.401822|4.085075|0.119077|3.566056|2.930629|2.555708|2.767005|0.081508|3.195870|0.080291|3.188831|3.786563|4.893488|5.514965|2.308644|2.069944|0.052696|2.226048|0.064664|1.962900|3.176376|1.943347|1.924032|2.291584|4.670883|1.904019|0.058158|0.063057|0.053026|0.053737|0.049868|0.062981|0.062525|0.082496|0.073003|0.089198|0.083676|0.105567|0.122271|0.303843|0.500000| |1.679368|1.749843|0.048725|1.587600|1.612584|0.041866|1.803966|2.786400|0.056727|1.995607|2.354056|2.806462|3.350207|5.544989|7.491078|5.542800|0.139809|8.878739|17.556625|8.736210|6.839424|0.192745|6.368509|4.540633|3.584786|3.734270|0.108749|4.417810|0.109544|3.878136|4.244085|5.550891|4.856810|2.885417|2.585221|0.065187|2.923261|0.084470|2.535685|4.014429|2.508902|2.305195|3.127740|7.006035|1.578008|0.045903|0.049370|0.042961|0.043253|0.040964|0.049621|0.050284|0.060424|0.054715|0.064512|0.063565|0.075995|0.079747|0.213169|0.213986|0.500000| |1.710285|1.801385|0.049589|1.652528|1.696312|0.044270|1.931905|2.960323|0.059381|2.085996|2.574887|3.020352|3.822634|6.652493|8.297230|6.898464|0.201181|8.925083|17.535480|8.808047|7.241609|0.250937|5.376808|3.871239|3.370813|3.758618|0.105915|4.910434|0.122484|4.745051|5.364511|6.891829|5.712382|2.966162|2.540345|0.064524|2.734588|0.077163|2.341979|3.788797|2.239066|2.257325|3.044677|5.519714|1.640134|0.047171|0.049683|0.043503|0.045353|0.042284|0.053716|0.054263|0.062317|0.057963|0.071740|0.070383|0.079317|0.084002|0.173666|0.218414|0.304184|0.500000| |1.404309|1.459439|0.040863|1.346435|1.373881|0.036036|1.510911|2.276555|0.046701|1.623080|1.874865|2.149143|2.474673|4.226079|5.172870|3.569441|0.093270|4.443670|6.499916|6.957314|8.731461|0.206591|17.547853|8.836730|5.473887|4.922697|0.135780|5.466376|0.140635|4.039451|3.875014|4.502529|3.613655|3.544723|3.269328|0.082368|4.016536|0.112751|3.469955|5.336029|3.418028|2.754412|4.638448|6.533670|1.360089|0.038348|0.040930|0.036457|0.036659|0.035157|0.041452|0.042449|0.048301|0.044413|0.051189|0.051550|0.059347|0.060001|0.119624|0.110515|0.227673|0.158211|0.500000| |1.286060|1.338335|0.037291|1.250636|1.282463|0.033921|1.409347|2.090110|0.042651|1.482033|1.719418|1.922663|2.215269|3.893636|4.466155|3.060522|0.083579|3.505517|4.860460|5.470302|8.914084|0.234093|17.554073|8.880092|6.639049|5.614409|0.135766|6.673879|0.201082|4.504053|3.859640|4.059643|3.166285|4.044331|3.626650|0.094244|4.354928|0.112143|3.765237|5.994869|3.453325|2.891432|6.627372|4.682776|1.266240|0.035315|0.037152|0.033501|0.034219|0.032708|0.038885|0.039806|0.043543|0.040841|0.047315|0.047778|0.052713|0.053135|0.091361|0.089227|0.147218|0.134793|0.307147|0.500000| |1.323853|1.388623|0.039358|1.289573|1.329035|0.034891|1.447607|2.164639|0.045099|1.523029|1.757453|1.998404|2.256977|3.855382|4.632070|3.067672|0.078127|3.480752|4.341530|5.663256|6.351399|0.133238|8.766498|17.579143|8.860777|6.801896|0.211516|5.493940|0.132139|3.992964|3.795186|4.219441|3.418634|4.689246|4.745833|0.111255|6.983368|0.222846|5.400112|7.362612|5.389336|3.932948|5.534151|7.114908|1.339603|0.035812|0.038397|0.034662|0.034791|0.033904|0.039227|0.041074|0.045019|0.041144|0.047126|0.049035|0.056725|0.054728|0.099987|0.084194|0.128098|0.104702|0.216397|0.174189|0.500000| |1.215186|1.263096|0.035577|1.179134|1.208239|0.031905|1.309973|1.941223|0.040125|1.378421|1.566857|1.753559|1.963236|3.393156|3.950954|2.585396|0.068080|2.931005|3.666500|4.300587|5.399254|0.125417|8.887123|17.523342|8.763548|5.506105|0.143937|4.830107|0.131652|3.493431|3.149379|3.345967|2.759606|4.149528|4.322599|0.110278|6.304549|0.164740|5.862058|8.331492|5.815658|3.434625|7.120344|4.589771|1.209807|0.033086|0.035186|0.031907|0.032020|0.031085|0.035776|0.037016|0.040552|0.037559|0.042527|0.043570|0.049151|0.048423|0.081795|0.074034|0.111712|0.094019|0.213663|0.222143|0.304509|0.500000| |1.345270|1.449485|0.040458|1.387591|1.477879|0.039421|1.654480|2.396961|0.049128|1.615909|2.015230|2.180728|2.603119|4.894502|4.926687|3.386987|0.095414|3.122580|3.660285|4.807379|5.480869|0.139710|4.062841|3.839623|4.600135|7.083964|0.173365|8.794170|0.204159|17.559882|8.961562|5.785302|4.192805|7.103149|4.504463|0.110899|3.919185|0.103683|3.031536|5.050935|2.574932|3.836933|4.134724|3.952487|1.472619|0.036813|0.038035|0.035022|0.037761|0.036054|0.045320|0.048413|0.046295|0.044300|0.054620|0.058996|0.060221|0.056811|0.080274|0.075953|0.089191|0.103983|0.094910|0.106109|0.100773|0.088997|0.500000| |1.394981|1.494206|0.041305|1.425194|1.506363|0.040176|1.701235|2.476420|0.050068|1.684105|2.111600|2.289895|2.793989|5.330127|5.306904|3.793259|0.112942|3.522202|4.317540|5.296181|6.434763|0.192025|4.414256|3.736680|4.103361|5.518604|0.135046|8.853675|0.234131|17.485134|9.059129|6.170451|4.360668|4.803082|3.484365|0.089194|3.301812|0.087326|2.679944|4.489893|2.343933|2.959456|3.913045|3.898021|1.477981|0.038467|0.039514|0.036098|0.039095|0.036828|0.047171|0.049360|0.048378|0.046702|0.058279|0.061146|0.061756|0.060285|0.086328|0.086964|0.102754|0.133181|0.104017|0.119967|0.095386|0.088068|0.306312|0.500000| |1.611296|1.770425|0.049340|1.685418|1.821485|0.048125|2.098666|3.086746|0.063157|2.023474|2.705947|2.972832|3.798761|7.429983|7.089856|5.092922|0.145260|4.058432|4.346593|5.462939|4.826525|0.128425|3.496727|3.160767|3.328981|4.478570|0.130711|5.435102|0.124080|8.678432|17.660057|9.210764|7.271213|4.058231|3.124400|0.077096|2.948093|0.083451|2.389898|3.925222|2.163707|2.916600|2.920486|4.326442|1.806160|0.043965|0.045464|0.041456|0.045664|0.043179|0.057201|0.062210|0.058022|0.055240|0.072422|0.081001|0.081456|0.074794|0.101385|0.095502|0.098304|0.122517|0.088462|0.088291|0.088056|0.074613|0.217124|0.204414|0.500000| |1.966935|2.204828|0.061840|2.050305|2.228352|0.057502|2.638826|4.071892|0.084194|2.600516|3.759892|4.467487|6.419884|11.962946|12.407136|8.870609|0.217555|5.518136|4.880450|5.437335|4.055566|0.108198|3.139552|2.831319|2.776032|3.416638|0.105296|3.870297|0.090755|4.713474|7.484676|8.888061|17.589933|3.012641|2.537173|0.062815|2.520601|0.073953|2.108561|3.424287|1.993535|2.448646|2.407349|4.682834|2.211084|0.053088|0.055883|0.049878|0.054865|0.051764|0.070645|0.078234|0.075911|0.069695|0.096569|0.112841|0.123743|0.106950|0.139555|0.124039|0.107226|0.128421|0.084909|0.077652|0.082311|0.068192|0.116981|0.118910|0.236390|0.500000| |1.975361|2.185767|0.062425|1.986842|2.115689|0.053989|2.435464|3.851763|0.081714|2.540220|3.392217|4.292299|5.560095|8.773215|13.023316|8.939691|0.175027|6.817396|5.668541|6.561465|4.345975|0.109423|3.499068|3.216223|3.016767|3.615165|0.117859|3.877291|0.089193|4.196606|6.006510|8.793717|17.534049|3.062030|2.671251|0.065051|2.764590|0.083999|2.302316|3.656222|2.228403|2.595834|2.517012|6.735457|2.136470|0.052639|0.057136|0.050285|0.052623|0.050662|0.064339|0.070576|0.076288|0.066796|0.085743|0.096784|0.126851|0.107882|0.199947|0.139969|0.126654|0.131646|0.097547|0.083116|0.098047|0.076772|0.103723|0.102060|0.157525|0.302672|0.500000| |1.160371|1.233801|0.034609|1.182059|1.244977|0.033313|1.363217|1.964805|0.040508|1.348934|1.603838|1.728759|1.974257|3.603016|3.758732|2.467293|0.067840|2.434150|2.858608|3.603846|4.429727|0.109037|4.029835|4.413364|6.575518|8.744641|0.175588|6.741753|0.193555|5.934525|4.287267|3.630964|2.873096|17.545706|8.692667|0.229566|6.005203|0.136951|4.445633|7.726456|3.361494|5.738585|6.483847|3.339908|1.250343|0.031703|0.032907|0.030507|0.032147|0.031069|0.037268|0.039503|0.038706|0.036893|0.043476|0.046272|0.048286|0.045911|0.065005|0.060720|0.075027|0.079041|0.091432|0.109659|0.110244|0.105286|0.200410|0.140498|0.106455|0.077468|0.076303|0.500000| |1.237251|1.327889|0.037489|1.270558|1.349094|0.035956|1.480548|2.141438|0.044545|1.453368|1.751266|1.899160|2.173927|3.949776|4.145827|2.707618|0.072812|2.604765|2.970920|3.890529|4.310150|0.102436|3.753637|4.158416|5.658597|8.726165|0.224637|6.159348|0.148116|6.130021|4.983156|4.166209|3.322578|17.558845|8.669652|0.183155|5.831601|0.152090|4.108633|6.733116|3.276148|7.353758|4.648848|3.769805|1.367677|0.033595|0.035067|0.032511|0.034318|0.033363|0.040106|0.043218|0.041724|0.039410|0.046845|0.050971|0.053765|0.049825|0.070662|0.063688|0.076359|0.079795|0.088063|0.095930|0.113128|0.096722|0.219983|0.132445|0.126389|0.090609|0.090218|0.303770|0.500000| |1.128168|1.172778|0.033315|1.098951|1.127382|0.029806|1.206464|1.776662|0.037084|1.260789|1.408516|1.562667|1.705006|2.932839|3.377070|2.118814|0.055258|2.322813|2.671618|3.091199|3.411843|0.081847|4.279293|6.382565|5.768608|4.139482|0.116675|3.350246|0.089527|2.694629|2.515570|2.631483|2.297477|3.650894|4.432099|0.114115|6.788383|0.197019|8.812057|10.807689|17.564127|3.869055|4.775357|3.548942|1.143095|0.030526|0.032614|0.029878|0.029675|0.029207|0.032703|0.034153|0.036953|0.034086|0.037884|0.039302|0.044504|0.042986|0.066896|0.059072|0.078788|0.068205|0.112614|0.109214|0.188767|0.212457|0.072592|0.067540|0.062200|0.058180|0.066093|0.090349|0.088337|0.500000| |1.023396|1.061879|0.030136|1.002434|1.028865|0.027341|1.094273|1.595671|0.033270|1.132980|1.255412|1.373408|1.484794|2.575389|2.889903|1.788075|0.047241|1.919399|2.163231|2.451037|2.704117|0.067087|3.208956|4.266487|4.384308|3.347820|0.091552|2.763888|0.076040|2.309694|2.135158|2.176213|1.929964|3.223322|4.079235|0.113580|5.444458|0.144381|8.910111|13.556606|17.620800|3.694088|4.129265|2.701610|1.044559|0.027740|0.029457|0.027235|0.027114|0.026753|0.029705|0.031009|0.032985|0.030696|0.033857|0.035137|0.039052|0.037714|0.054767|0.049489|0.062875|0.056500|0.083986|0.086175|0.118446|0.135769|0.063739|0.058895|0.053946|0.049899|0.055112|0.082633|0.078804|0.298302|0.500000| |1.090933|1.139213|0.032507|1.072958|1.106323|0.029299|1.177787|1.724233|0.036190|1.216446|1.357297|1.494534|1.616135|2.787529|3.162102|1.952292|0.050851|2.080802|2.319201|2.700551|2.875952|0.069583|3.303892|4.502687|4.666588|3.738137|0.108291|2.953668|0.078071|2.490689|2.351773|2.417590|2.153422|3.599151|4.717662|0.120983|6.534273|0.204241|8.923942|11.298190|17.522744|4.609051|3.898858|3.113290|1.130922|0.029421|0.031417|0.029014|0.028872|0.028618|0.031776|0.033492|0.035479|0.032747|0.036297|0.038115|0.042921|0.040797|0.060230|0.052826|0.066543|0.059470|0.086437|0.084576|0.136954|0.131081|0.069157|0.062026|0.059415|0.055507|0.062664|0.087710|0.089955|0.302788|0.299578|0.500000| |1.194082|1.276607|0.036461|1.215928|1.284352|0.034093|1.386014|2.012346|0.042432|1.376525|1.608900|1.756094|1.942844|3.428218|3.734003|2.337814|0.060998|2.314957|2.543346|3.199026|3.297041|0.078187|3.194597|3.883851|4.846797|5.452915|0.171649|3.882822|0.095957|3.584237|3.381978|3.220989|2.802811|6.742152|8.758289|0.173901|6.710636|0.213005|4.970716|7.651690|4.133988|17.514736|3.793388|3.531523|1.322260|0.032149|0.033991|0.031612|0.032583|0.032210|0.037158|0.040246|0.039702|0.036923|0.042553|0.046411|0.050777|0.046439|0.065656|0.057004|0.067767|0.065908|0.079105|0.080027|0.115785|0.094659|0.109163|0.083585|0.087636|0.075063|0.081348|0.140484|0.204198|0.105660|0.095836|0.125100|0.500000| |1.081242|1.146052|0.032656|1.094943|1.148811|0.030628|1.229640|1.774443|0.037265|1.226323|1.405340|1.520486|1.661887|2.934919|3.173708|1.967292|0.051965|1.980507|2.182622|2.635421|2.810416|0.068352|2.865660|3.552695|4.472616|4.366779|0.124217|3.247245|0.084991|2.926625|2.688639|2.576124|2.267592|5.409426|8.770348|0.213738|6.783663|0.187797|6.165938|10.141139|4.844631|17.538015|3.815389|2.858692|1.179569|0.029195|0.030773|0.028751|0.029447|0.029143|0.033117|0.035507|0.035300|0.033034|0.037455|0.040283|0.043686|0.040608|0.055999|0.049753|0.059438|0.057308|0.071426|0.074281|0.102062|0.091831|0.087970|0.071191|0.069921|0.060730|0.065033|0.126030|0.144475|0.113296|0.115012|0.148235|0.300986|0.500000| |1.102215|1.176238|0.033417|1.130917|1.196441|0.032005|1.288267|1.846941|0.038693|1.263823|1.472652|1.579629|1.742887|3.123705|3.288392|2.050055|0.054733|2.009942|2.209194|2.693340|2.875188|0.070641|2.774997|3.249193|4.179666|4.622156|0.128179|3.502957|0.091393|3.339200|3.010774|2.756508|2.405748|6.672871|8.785993|0.214797|5.434437|0.144434|4.477468|7.727599|3.546148|17.547802|3.671170|2.803341|1.226618|0.029823|0.031207|0.029251|0.030453|0.030011|0.034737|0.037484|0.036165|0.034120|0.039271|0.042650|0.045213|0.041767|0.055995|0.050333|0.058846|0.058833|0.068329|0.072466|0.091178|0.081685|0.106211|0.080494|0.079914|0.065857|0.067873|0.157030|0.203070|0.088598|0.086772|0.102597|0.301451|0.302232|0.500000| |1.152861|1.205209|0.033624|1.141376|1.179881|0.031452|1.289024|1.880046|0.038454|1.321166|1.532998|1.675626|1.908354|3.418367|3.723821|2.478248|0.068486|2.641240|3.326231|3.928966|5.715467|0.147203|6.759665|6.876728|8.682064|6.591615|0.137687|6.711231|0.249633|4.569829|3.544165|3.380843|2.672749|5.376439|4.816076|0.134140|5.444807|0.122965|4.712878|8.027978|3.794700|3.483437|17.608374|3.536232|1.171441|0.031661|0.033010|0.030231|0.031229|0.029992|0.035533|0.036712|0.038334|0.036396|0.042100|0.043194|0.046212|0.045676|0.069779|0.067437|0.093587|0.093553|0.139564|0.234247|0.139023|0.178788|0.118173|0.121429|0.083934|0.068611|0.070576|0.160696|0.116426|0.110787|0.095642|0.090503|0.090635|0.088443|0.087984|0.500000| 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