Version2.1 2021-01-12T22:26:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc2c1nc(s2)N(CCC[NH+]3CCOCC3)C(=O)c4ccc5c(c4)CCCC5 C09400044 RHF 6-31G(d) (6D,7F) Cc1cccc2c1nc(s2)N(CCC[NH+]3CCOCC3)C(=O)c4ccc5c(c4)CCCC5 C01[X(C26H32N3O2S1)] 186 C1 548 O=C(N(c1sc2c(n1)c(C)ccc2)CCC[NH+]1CCOCC1)c1ccc2c(c1)CCCC2 O=C(N(c1sc2c(n1)c(C)ccc2)CCC[NH+]1CCOCC1)c1ccc2c(c1)CCCC2 Cc1cccc2sc(nc12)N(CCC[NH+]3CCOCC3)C(=O)c4ccc5CCCCc5c4 InChIKey=HTUUEKSVWJBSAU-UHFFFAOYSA-O InChI=1S/C26H31N3O2S/c1-19-6-4-9-23-24(19)27-26(32-23)29(13-5-12-28-14-16-31-17-15-28)25(30)22-11-10-20-7-2-3-8-21(20)18-22/h4,6,9-11,18H,2-3,5,7-8,12-17H2,1H3/p+1 InChI=1/C26H31N3O2S/c1-19-6-4-9-23-24(19)27-26(32-23)29(13-5-12-28-14-16-31-17-15-28)25(30)22-11-10-20-7-2-3-8-21(20)18-22/h4,6,9-11,18H,2-3,5,7-8,12-17H2,1H3/p+1/fC26H32N3O2S/h28H/q+1 Cc1cccc2c1nc(s2)N(CCC[NH+]3CCOCC3)C(=O)c4ccc5c(c4)CCCC5 C01[X(C26H32N3O2S1)] 186 C01 548 O=C(N(c1sc2c(n1)c(C)ccc2)CCC[NH+]1CCOCC1)c1ccc2c(c1)CCCC2 O=C(N(C1=N[C]2[C]([CH][CH][CH][C]2C)S1)CCC[NH]1CCOCC1)[C]1[CH][CH][C]2[C]([CH]1)CCCC2 C[C]1[CH][CH][CH][C]2SC(=N[C]12)N(CCC[NH]3CCOCC3)C(=O)[C]4[CH][CH][C]5CCCC[C]5[CH]4 InChIKey=BPMASHNVMHYFFZ-UHFFFAOYSA-N InChI=1S/C26H32N3O2S/c1-19-6-4-9-23-24(19)27-26(32-23)29(13-5-12-28-14-16-31-17-15-28)25(30)22-11-10-20-7-2-3-8-21(20)18-22/h4,6,9-11,18,28H,2-3,5,7-8,12-17H2,1H3 InChI=1/C26H32N3O2S/c1-19-6-4-9-23-24(19)27-26(32-23)29(13-5-12-28-14-16-31-17-15-28)25(30)22-11-10-20-7-2-3-8-21(20)18-22/h4,6,9-11,18,28H,2-3,5,7-8,12-17H2,1H3 3327.4138666748 -1713.6243872 1-A 20674.3066 120 428 548 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.05659 -20.71556 -20.62517 -15.85613 -15.70234 -15.65742 -11.45014 -11.44425 -11.44313 -11.44025 -11.43578 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-0.38319 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01958 0.03673 0.04112 0.06743 0.07062 0.07353 0.09043 0.10147 0.10703 0.11270 0.11719 0.13008 0.13652 0.14334 0.14801 0.15693 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 11.2366 17.4571 21.1499 23.2536 25.7034 41.6159 57.3829 75.8384 80.9357 100.0779 107.4223 117.0901 140.0138 150.3086 165.9318 167.7591 181.3196 197.3927 203.9239 225.2898 252.4664 258.7479 285.8917 303.1202 310.9244 326.4900 347.6674 373.4659 384.1044 404.5326 428.6653 431.5399 453.2390 471.3192 480.6216 488.8461 500.3806 517.1142 522.4052 526.8576 560.4846 570.5881 579.8448 593.6949 616.2311 639.2412 651.6843 663.4233 685.4242 711.8622 732.6797 770.9333 783.0469 791.5985 814.3483 841.0371 845.7628 860.1014 872.1871 875.5220 904.1288 911.7341 920.3536 934.3348 943.0799 950.3191 959.0763 977.1126 989.4814 1000.1986 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1.00783 1.00783 13144.2647 25669.8571 34883.2283 0.99993 0.01121 -0.00353 -0.01119 0.99991 0.00777 0.00362 -0.00773 0.99996 1 0.00659 0.00337 0.00248 0.13730 0.07031 0.05174 16.17 25.12 30.43 33.46 36.98 59.88 82.56 109.11 116.45 143.99 154.56 168.47 201.45 216.26 238.74 241.37 260.88 284.00 293.40 324.14 363.24 372.28 411.33 436.12 447.35 469.75 500.22 537.33 552.64 582.03 616.75 620.89 652.11 678.12 691.51 703.34 719.94 744.01 751.62 758.03 806.41 820.95 834.27 854.19 886.62 919.73 937.63 954.52 986.17 1024.21 1054.16 1109.20 1126.63 1138.93 1171.67 1210.06 1216.86 1237.49 1254.88 1259.68 1300.84 1311.78 1324.18 1344.30 1356.88 1367.30 1379.90 1405.85 1423.64 1439.06 1466.16 1479.28 1491.99 1508.29 1515.63 1548.44 1581.98 1586.63 1587.51 1598.74 1603.13 1626.58 1628.48 1656.31 1661.70 1673.46 1690.75 1691.62 1713.53 1742.93 1757.72 1762.28 1781.73 1802.60 1815.15 1822.72 1853.68 1865.14 1890.13 1897.82 1904.10 1910.56 1933.55 1946.65 1955.47 1974.53 1988.16 2006.81 2012.81 2028.06 2033.59 2060.17 2067.14 2097.94 2098.71 2117.93 2128.59 2149.27 2158.39 2174.37 2185.78 2189.29 2194.62 2208.71 2218.94 2250.74 2257.03 2269.61 2272.19 2276.31 2280.43 2289.27 2297.95 2335.52 2337.59 2341.84 2346.40 2353.27 2358.88 2359.63 2359.84 2364.58 2367.85 2370.58 2379.37 2386.74 2393.72 2410.75 2528.57 2538.45 2560.34 2584.99 2608.62 2767.03 4590.06 4592.02 4593.80 4600.35 4606.55 4607.84 4619.14 4653.47 4660.02 4661.82 4679.18 4682.41 4695.88 4695.92 4715.19 4718.03 4726.36 4735.94 4738.50 4781.74 4786.34 4789.17 4798.01 4809.48 4831.64 4834.26 4846.16 4864.45 4867.59 4874.99 4889.14 5290.10 0.589397 0.616724 0.617668 0.526652 -1713.034990 -1713.007663 -1713.006719 -1713.097735 3.052692D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE Cc1cccc2c1nc(s2)N(CCC[NH+]3CCOCC3)C(=O)c4ccc5c(c4)CCCC5 C09400044 RHF 6-31G(d) (6D,10F) C1 450.221524 |X|Y|Z| 114.766613 78.963963 35.601607 68.586405 30 6 7 8 16 25 3 1 1 |36.858105| |12.634840|36.858105| |7.533156|13.809710|36.858105| |4.983156|7.840209|13.616837|36.858105| |4.380983|6.706226|7.882744|13.845458|36.858105| |4.999467|7.850163|6.958690|8.063569|13.706052|36.858105| |7.530821|13.601568|8.039121|6.913434|7.840017|13.700030|36.858105| |6.433791|7.718913|5.175588|4.601012|5.223904|8.128537|13.702535|53.358707| |4.520997|5.403959|4.185247|4.076286|4.985579|7.823955|8.683355|20.463182|36.858105| |3.758824|4.866599|4.267101|4.705603|6.720839|10.910628|7.428265|10.057316|10.880711|388.023441| |3.656902|3.985617|3.228938|3.137089|3.671754|4.996398|5.396147|11.121012|13.585372|49.150287|53.358707| |3.509563|3.622672|2.948846|2.805240|3.156745|4.071388|4.550735|8.841821|7.825493|35.435044|17.783907|36.858105| |3.495909|3.355039|2.718990|2.512180|2.716193|3.372514|3.927931|7.423490|5.606682|26.888043|10.509936|12.434818|36.858105| |3.019035|2.845741|2.378821|2.202191|2.337944|2.790301|3.176889|5.483859|4.043522|21.630434|6.813931|7.579530|12.497415|36.858105| |2.705833|2.489421|2.114638|1.948868|2.035021|2.370727|2.687837|4.471193|3.232109|17.970511|5.222489|4.942041|7.560352|12.642480|53.358707| |2.548211|2.376135|2.029745|1.887172|1.984402|2.312268|2.589986|4.317327|3.192433|17.823293|5.288051|4.794829|7.274827|9.351447|25.673910|0.500000| |2.976067|2.621087|2.208536|1.992054|2.038822|2.357307|2.739958|4.498911|3.096438|17.195914|4.732750|4.186256|6.160661|7.564988|17.239775|0.258673|36.858105| |2.498034|2.214697|1.914206|1.740683|1.769268|2.002969|2.279874|3.613750|2.518335|14.560093|3.791414|3.191023|4.260486|4.953296|10.468010|0.197571|12.514806|36.858105| |2.207717|1.986967|1.743812|1.600937|1.627896|1.824122|2.043388|3.184671|2.248066|13.311091|3.377040|2.874489|3.647504|4.501327|9.163056|0.167116|7.948579|13.684947|73.516695| |2.080996|1.916413|1.687403|1.568953|1.614707|1.815950|2.006334|3.147007|2.275122|13.532605|3.498789|3.035422|3.816620|4.972368|10.458333|0.197466|6.711179|8.211145|24.326726|36.858105| |2.306130|2.140359|1.862536|1.732853|1.799793|2.052573|2.277557|3.643114|2.653217|15.481346|4.169169|3.834248|4.954239|7.646019|17.245375|0.258762|7.718818|6.723787|14.151981|12.518137|36.858105| |2.995525|3.224898|2.732024|2.707744|3.151832|4.027959|4.112638|7.389857|7.646647|39.795856|18.712688|7.872537|6.104151|4.295850|4.811262|0.104401|3.157858|2.634792|4.188692|2.473466|2.875853|36.858105| |2.609186|2.737498|2.360460|2.333979|2.660105|3.261995|3.337818|5.752942|5.379139|30.420267|11.643398|7.242644|6.081853|4.568246|5.168753|0.115727|3.229698|2.725949|4.391792|2.664207|3.122364|15.854606|73.516695| |2.860160|3.139801|2.727374|2.755678|3.236221|4.037258|3.954409|6.560130|6.389883|39.411979|10.414365|5.014586|4.335533|3.281764|3.905343|0.084787|2.678169|2.315417|3.678212|2.136507|2.397032|12.773710|14.386753|36.858105| |3.182561|3.501135|3.018166|3.009341|3.480361|4.329341|4.360287|7.047038|6.213092|37.876565|8.483403|4.308560|3.972289|3.021897|3.689245|0.079310|2.640388|2.298338|3.599766|2.044381|2.255464|7.521062|9.618318|13.685675|36.858105| |2.788522|3.066087|2.764080|2.808578|3.199370|3.720776|3.622984|5.379234|4.453206|30.633112|5.887522|3.289641|3.098175|2.488589|3.120997|0.067037|2.258827|2.022579|3.198700|1.808822|1.957076|5.039872|7.262726|7.967595|13.828497|36.858105| |2.343208|2.572729|2.380566|2.468450|2.820918|3.173749|2.996582|4.370471|3.672230|26.824453|5.024051|2.910473|2.710844|2.245178|2.829914|0.061041|2.016187|1.830581|2.940436|1.680762|1.810325|4.452260|6.817977|6.827055|7.875068|13.666016|36.858105| |2.203726|2.416719|2.228072|2.320505|2.683359|3.049685|2.851870|4.242656|3.703712|27.316328|5.345085|3.099948|2.817268|2.345269|2.923649|0.063432|2.032539|1.839049|2.982593|1.730831|1.880988|5.066489|8.021471|7.864430|6.813989|7.920581|13.657883|36.858105| |2.387373|2.616557|2.356031|2.429707|2.842040|3.361123|3.177630|4.946888|4.566602|32.129009|7.116833|3.927620|3.445230|2.786789|3.388630|0.073871|2.305688|2.045990|3.309696|1.939903|2.148345|7.740378|11.803027|13.753385|7.947965|6.936813|7.943883|13.707506|36.858105| |1.884262|2.052906|1.929742|2.025358|2.315115|2.547366|2.367128|3.447042|2.939976|22.208147|4.233831|2.596316|2.374977|2.049318|2.582374|0.055918|1.786966|1.641301|2.700803|1.576326|1.699041|3.835588|6.507829|5.011868|4.415905|4.994465|7.484010|12.542304|7.583778|36.858105| |1.738338|1.876875|1.785962|1.869200|2.094229|2.251761|2.112529|3.022951|2.492380|18.670626|3.509960|2.201599|2.065660|1.806619|2.317335|0.050084|1.628059|1.516647|2.496916|1.445391|1.535678|3.048475|5.184581|3.848096|3.710232|4.459890|6.600442|7.496687|4.997825|12.465335|36.858105| |1.827532|1.992648|1.917686|2.023713|2.263769|2.396997|2.228343|3.120479|2.536624|19.364959|3.446153|2.140127|2.008334|1.746928|2.237271|0.047932|1.595066|1.482177|2.428630|1.391100|1.476735|2.899018|4.769188|3.710941|3.848973|4.987443|7.489668|6.602648|4.462907|7.601306|12.477508|36.858105| |2.078595|2.263361|2.149288|2.240205|2.500732|2.694916|2.543309|3.589597|2.899584|21.546889|3.898637|2.367259|2.243892|1.913169|2.451678|0.052634|1.765862|1.631453|2.639079|1.500370|1.593941|3.286971|5.247357|4.422577|5.020103|7.581464|12.552139|7.492742|5.005965|6.375987|7.597841|12.464614|36.858105| |17.558790|8.858813|5.877104|4.281680|3.936222|4.583366|6.703176|8.805868|4.570975|25.970358|5.158488|3.565289|3.691907|3.106576|3.866227|0.075223|3.186123|2.678743|4.116692|2.165395|2.376314|3.158140|4.864134|3.054604|3.501453|3.051554|2.508374|2.326334|2.513632|1.966279|1.821065|1.917739|2.215580|0.500000| |17.552472|8.858007|5.874500|4.277767|3.931605|4.581008|6.700162|8.770879|4.550853|25.966376|5.177148|3.858148|3.892318|3.430289|4.113150|0.077298|3.345767|2.733728|4.306579|2.277492|2.564738|3.044949|4.784269|2.803371|3.019255|2.605643|2.220452|2.128932|2.341614|1.831230|1.677194|1.739416|1.958408|0.302504|0.500000| |17.593532|8.877198|7.236320|4.727382|3.932559|4.166454|5.565168|6.444046|3.619497|22.624609|4.122299|2.938097|2.949431|2.633863|3.287734|0.063253|2.673111|2.305336|3.662001|1.928378|2.104445|2.562709|4.040613|2.479630|2.747239|2.479614|2.118088|1.986727|2.119391|1.723725|1.609000|1.698054|1.916667|0.301248|0.301334|0.500000| |6.979069|8.972866|17.718143|8.918633|5.641704|4.996760|5.684896|5.665637|3.435849|24.458607|3.780582|2.595997|2.454429|2.192799|2.700155|0.052765|2.096865|1.841108|2.992558|1.615951|1.765190|2.396081|3.748177|2.391763|2.638981|2.458279|2.140604|2.000757|2.095502|1.754463|1.642811|1.763402|1.965780|0.151942|0.151904|0.222055|0.500000| |4.080189|5.619861|8.899193|17.727229|8.971736|5.696962|4.974036|4.972082|3.333059|27.388564|3.645066|2.430303|2.201562|1.963979|2.394388|0.047403|1.798108|1.591991|2.621899|1.445210|1.583431|2.368589|3.691435|2.426116|2.629419|2.513889|2.255213|2.121234|2.188376|1.884710|1.760186|1.913606|2.091152|0.099395|0.099319|0.112979|0.216654|0.500000| |3.513261|4.866367|5.609771|8.901789|17.737735|8.842495|5.593208|5.764842|4.299705|43.983713|4.536607|2.873670|2.463247|2.146424|2.556892|0.051177|1.863059|1.633508|2.692741|1.512316|1.679466|2.962216|4.502516|3.088831|3.253082|3.071903|2.799325|2.689748|2.806403|2.363790|2.139620|2.323479|2.514965|0.089791|0.089685|0.089702|0.124004|0.214769|0.500000| |2.942832|3.058879|2.585451|2.513251|2.837809|3.532639|3.742297|6.632210|5.947303|31.588624|12.535046|17.640880|8.821866|7.033888|6.401038|0.129547|3.780621|2.988125|4.927767|3.021081|3.853148|7.417999|14.365607|4.713897|3.858067|3.040658|2.790982|3.067370|3.933777|2.631826|2.206159|2.105569|2.283391|0.082434|0.088843|0.070337|0.063928|0.061526|0.073628|0.500000| |3.872597|4.034816|3.245491|3.059549|3.425215|4.448471|5.081432|9.648396|7.780961|36.636494|12.565102|17.642306|8.820940|6.788033|6.103819|0.115257|3.965366|3.023716|4.913096|2.873947|3.627244|5.793580|9.302519|4.189064|3.780925|2.982639|2.643761|2.770755|3.387067|2.358097|2.026663|1.996090|2.194270|0.105018|0.122365|0.089229|0.078812|0.072990|0.085377|0.301457|0.500000| |4.212458|3.866531|3.027140|2.715660|2.883204|3.604721|4.444798|8.714061|5.851732|27.137385|9.524342|8.911452|17.599726|8.776473|8.987988|0.170707|6.567347|4.412403|6.452640|3.592239|4.430203|5.358540|8.786418|4.141346|4.065628|3.175194|2.704262|2.725054|3.243962|2.279872|2.012975|1.991442|2.255309|0.127184|0.132303|0.096146|0.075915|0.065479|0.071228|0.174283|0.216089|0.500000| |3.107414|3.009620|2.488674|2.328580|2.526808|3.095728|3.504756|6.409755|5.039092|25.199479|9.795371|8.929826|17.558583|8.881488|9.697662|0.225591|5.730543|4.262713|6.396369|3.822150|4.729681|6.819903|13.060203|4.798442|4.298425|3.328870|2.924278|3.067201|3.801785|2.563782|2.220616|2.131538|2.394646|0.092987|0.092817|0.074017|0.062730|0.057179|0.064460|0.211454|0.174485|0.300690|0.500000| |2.653251|2.569653|2.193830|2.070829|2.221599|2.626963|2.891875|4.867716|3.748451|20.925333|6.446731|7.122532|8.837395|17.612073|12.463049|0.222372|5.592890|4.183372|7.174643|4.751783|7.399753|4.252164|8.500644|3.211626|2.866745|2.384101|2.196556|2.340216|2.802852|2.073813|1.813624|1.733171|1.873296|0.075016|0.082328|0.065088|0.056148|0.051680|0.057474|0.218780|0.173578|0.173094|0.207984|0.500000| |3.207226|2.977582|2.484087|2.274646|2.384972|2.825124|3.257099|5.492555|3.895013|21.203786|6.118034|6.599744|8.728557|17.612444|12.398517|0.182244|7.058953|4.660133|7.772339|4.621431|6.925660|3.727645|6.775389|2.944306|2.766542|2.308905|2.081524|2.153532|2.518640|1.894484|1.682616|1.642809|1.793306|0.089484|0.104570|0.077954|0.063935|0.056341|0.060435|0.165623|0.191700|0.213244|0.173097|0.301441|0.500000| |3.151335|2.726230|2.294759|2.049574|2.076284|2.387150|2.799287|4.520973|3.044529|17.065824|4.510208|4.035252|5.546378|7.047974|12.417675|0.181932|17.623975|8.830419|12.624517|5.866997|6.995942|2.927161|5.235213|2.495049|2.470867|2.125466|1.899221|1.909736|2.155348|1.686733|1.539159|1.517611|1.672891|0.091670|0.101365|0.079091|0.060892|0.051404|0.052456|0.100569|0.111897|0.169094|0.133907|0.145907|0.217548|0.500000| |3.346194|2.909947|2.406795|2.151635|2.204335|2.580482|3.057023|5.143897|3.475753|18.736829|5.296779|4.524379|6.976514|6.957678|12.299271|0.225340|17.657413|8.799462|10.159956|5.017162|5.617327|3.508571|6.214206|2.991555|3.010869|2.539326|2.222162|2.213925|2.516282|1.915118|1.743922|1.719027|1.929597|0.102720|0.103401|0.082012|0.063078|0.053507|0.055493|0.108934|0.116755|0.232523|0.184147|0.142184|0.174489|0.299876|0.500000| |2.547170|2.216228|1.922489|1.732597|1.740139|1.952929|2.236367|3.486127|2.387310|13.928919|3.500439|2.876813|3.711974|4.106697|7.609202|0.144140|8.921426|17.644177|16.894829|5.891228|5.015685|2.418948|4.364973|2.169563|2.193398|1.951459|1.758516|1.745999|1.918868|1.559412|1.453456|1.432701|1.581434|0.076326|0.077113|0.066158|0.051878|0.044155|0.044496|0.074042|0.077067|0.110925|0.101845|0.097047|0.111758|0.215285|0.209833|0.500000| |2.354334|2.118091|1.838861|1.686116|1.724685|1.953029|2.201348|3.497266|2.476146|14.370995|3.776104|3.105299|4.128684|4.549003|9.321279|0.206230|8.819569|17.494359|16.535337|7.317112|5.850742|2.700985|5.028274|2.395311|2.374510|2.098522|1.905821|1.916518|2.127868|1.710506|1.584460|1.539531|1.698244|0.070818|0.070239|0.060272|0.048970|0.042895|0.044445|0.081583|0.079793|0.116457|0.121642|0.110237|0.113359|0.173051|0.214005|0.301397|0.500000| |1.903189|1.763257|1.570047|1.467085|1.506169|1.677564|1.836066|2.835447|2.055291|12.464247|3.123140|2.685819|3.228150|4.126132|7.603927|0.144083|5.008610|5.890741|16.890291|17.644594|8.917187|2.212052|4.228675|1.929500|1.844090|1.648029|1.544371|1.593506|1.773621|1.466308|1.349445|1.298152|1.389299|0.054476|0.057727|0.049441|0.041950|0.037763|0.039382|0.075180|0.071705|0.084604|0.088944|0.113667|0.110586|0.131457|0.109973|0.132129|0.148264|0.500000| |1.984845|1.844374|1.628489|1.523377|1.575713|1.772620|1.944139|3.055564|2.236136|13.346073|3.476874|2.956262|3.707600|4.564630|9.314802|0.206121|5.842926|7.316350|16.532551|17.495197|8.818917|2.521971|4.901585|2.192123|2.088531|1.854885|1.732788|1.790690|2.005081|1.634692|1.500840|1.434646|1.546870|0.057840|0.059537|0.051030|0.043217|0.039017|0.041157|0.082491|0.076072|0.095820|0.108057|0.124061|0.112613|0.134542|0.131374|0.148267|0.219496|0.301361|0.500000| |2.149467|2.036695|1.786316|1.683307|1.765444|2.011866|2.194448|3.500624|2.613183|15.467426|4.176827|3.858747|4.726282|7.089889|12.330055|0.225841|5.620475|5.020852|10.155348|8.779641|17.623332|2.937493|5.832373|2.424773|2.235712|1.942266|1.818644|1.916068|2.203488|1.744646|1.566358|1.492433|1.597713|0.061180|0.065796|0.054472|0.046814|0.042820|0.046127|0.113111|0.099874|0.112304|0.128478|0.228589|0.170553|0.142967|0.126447|0.110036|0.131440|0.209167|0.213552|0.500000| |2.371212|2.186042|1.905482|1.764172|1.819676|2.065101|2.301218|3.637394|2.610792|15.345140|4.002531|3.708296|4.596849|7.108732|12.409905|0.181890|6.991958|5.875596|12.643708|8.835291|17.626402|2.692373|5.084327|2.257373|2.139801|1.862613|1.720039|1.779133|2.021717|1.610162|1.458334|1.412056|1.521023|0.066878|0.074376|0.060399|0.050369|0.044825|0.047040|0.102338|0.101821|0.117887|0.115642|0.186355|0.212174|0.208931|0.142820|0.131625|0.134670|0.215356|0.173087|0.299796|0.500000| |3.801402|4.122297|3.404477|3.274516|3.708229|4.749116|5.176797|8.816092|7.137236|38.233801|9.070554|4.637513|4.422421|3.267524|3.979540|0.084570|2.920103|2.499325|3.853190|2.157638|2.387240|6.863537|8.868073|8.850987|17.731733|8.965679|5.626838|4.922629|5.638779|3.535464|3.085952|3.230232|4.107913|0.120153|0.098937|0.088874|0.082103|0.078071|0.092831|0.109668|0.114578|0.132814|0.129791|0.083639|0.083747|0.076114|0.094754|0.066735|0.071142|0.053689|0.060717|0.064703|0.063233|0.500000| |2.865194|3.123904|2.847332|2.864019|3.173860|3.590986|3.561226|5.109651|3.987270|27.382939|5.091493|2.953958|2.848282|2.321628|2.951830|0.062964|2.181229|1.970264|3.104964|1.734926|1.858324|4.096438|6.070094|5.662169|8.974914|17.705215|8.919185|5.641004|4.984198|4.072142|3.905343|4.582071|7.089184|0.088315|0.072925|0.071545|0.071045|0.071640|0.083902|0.075158|0.075949|0.082963|0.083872|0.061166|0.060527|0.057311|0.068366|0.053455|0.056652|0.043985|0.049262|0.050771|0.049378|0.217340|0.500000| |2.208447|2.403856|2.176575|2.247798|2.618194|3.063472|2.893426|4.498101|4.140608|29.353946|6.708302|3.919207|3.384730|2.809692|3.397309|0.074247|2.262108|2.012640|3.297807|1.960359|2.184131|7.260531|12.843508|8.967615|5.659504|4.985732|5.648205|8.922316|17.721383|7.073840|4.587143|3.900538|4.076303|0.063842|0.061012|0.054754|0.054088|0.056631|0.072402|0.114690|0.093404|0.086036|0.103727|0.080528|0.070177|0.058779|0.067463|0.052012|0.058107|0.050034|0.056422|0.063196|0.056939|0.124136|0.108067|0.500000| |1.857938|2.049687|1.947293|2.075113|2.399612|2.610473|2.371408|3.399274|2.917264|23.043874|4.125227|2.540191|2.277986|1.981165|2.471821|0.053005|1.707328|1.562127|2.586962|1.511237|1.637506|3.631366|6.114899|4.568958|4.005473|4.400429|6.091949|8.937959|6.565436|17.505076|8.876980|6.702199|5.386396|0.053246|0.050191|0.047312|0.049035|0.053879|0.069249|0.071952|0.064989|0.060692|0.067136|0.055943|0.051341|0.045157|0.050536|0.041280|0.044857|0.039236|0.043244|0.046804|0.043426|0.091075|0.101975|0.180402|0.500000| |1.796742|1.934736|1.808284|1.880853|2.133569|2.358975|2.222620|3.280556|2.796486|20.567611|4.154220|2.605826|2.399359|2.091842|2.647947|0.057788|1.810143|1.669787|2.761463|1.626529|1.752005|3.830217|6.836145|4.722745|3.985509|4.241049|5.698291|8.902664|7.121260|17.548661|8.816996|5.525417|4.882434|0.052039|0.048990|0.045673|0.045862|0.048629|0.060145|0.074753|0.065098|0.063047|0.072745|0.059470|0.053285|0.047216|0.053526|0.043776|0.048576|0.042069|0.047150|0.050400|0.045831|0.090697|0.097651|0.212679|0.304260|0.500000| |1.596239|1.721067|1.651399|1.735243|1.935523|2.055647|1.921971|2.728521|2.236309|16.907359|3.143868|2.009189|1.882946|1.671406|2.148356|0.046271|1.505969|1.409966|2.339903|1.357897|1.439194|2.684227|4.635859|3.246567|3.096796|3.580465|4.850158|5.501110|4.106767|8.857023|17.556773|8.803352|5.511657|0.046119|0.042938|0.041288|0.042409|0.045758|0.055360|0.056396|0.051788|0.050813|0.055835|0.046880|0.043446|0.039708|0.044452|0.037554|0.040817|0.035422|0.039129|0.040915|0.038068|0.073470|0.089359|0.110184|0.220268|0.208552|0.500000| |1.703009|1.813402|1.714303|1.771044|1.960866|2.118800|2.025447|2.927459|2.388038|17.341722|3.407098|2.159505|2.066075|1.811117|2.352106|0.051221|1.656268|1.555414|2.553711|1.477418|1.557522|2.975134|5.139561|3.709238|3.618201|4.328337|6.100082|6.580948|4.671852|8.836867|17.512516|8.862578|7.002243|0.049925|0.045734|0.043838|0.044035|0.046274|0.055010|0.060022|0.054867|0.055957|0.062401|0.050397|0.046602|0.043206|0.049353|0.041393|0.045488|0.038241|0.042891|0.044075|0.040851|0.084500|0.106900|0.119323|0.174253|0.217674|0.303200|0.500000| |1.844154|2.040222|1.984964|2.130494|2.411986|2.521236|2.291732|3.160233|2.583596|20.473019|3.451027|2.137586|1.974126|1.720971|2.183336|0.046437|1.553951|1.436099|2.362388|1.353941|1.445416|2.857007|4.656367|3.615566|3.706383|4.649081|6.564797|6.093082|4.319900|7.006895|8.864192|17.514354|8.838047|0.053220|0.048687|0.047638|0.050482|0.056206|0.069973|0.058495|0.055926|0.054366|0.057499|0.047528|0.045253|0.041353|0.046371|0.038579|0.041149|0.035191|0.038570|0.040619|0.038612|0.087096|0.118612|0.106354|0.201589|0.141109|0.210492|0.173764|0.500000| |1.697657|1.835293|1.780572|1.872252|2.061401|2.152500|2.018159|2.804233|2.239617|16.945312|3.032753|1.918206|1.821476|1.602588|2.071634|0.044314|1.486105|1.393236|2.289094|1.306786|1.376545|2.506569|4.171393|3.098291|3.248920|4.104192|5.500900|4.852725|3.584209|5.512363|8.800515|17.557128|8.860067|0.049474|0.044833|0.044211|0.045934|0.049647|0.058746|0.052396|0.050028|0.050390|0.053542|0.044104|0.042037|0.039343|0.044346|0.037578|0.040219|0.033988|0.037450|0.038562|0.036616|0.078280|0.110274|0.089327|0.139698|0.123305|0.213787|0.210385|0.303261|0.500000| |1.998879|2.133501|2.015547|2.066595|2.264884|2.443019|2.361956|3.365931|2.672886|19.177907|3.648289|2.255201|2.187440|1.875489|2.439446|0.052694|1.767448|1.650184|2.660703|1.508122|1.586695|3.074792|5.005784|4.012674|4.581089|6.602275|8.960026|6.096955|4.415719|5.378031|6.688427|8.870196|17.502708|0.059719|0.052430|0.051430|0.051714|0.053707|0.062565|0.060384|0.057835|0.061247|0.065478|0.050856|0.048657|0.046231|0.053741|0.044532|0.048077|0.038741|0.043430|0.044060|0.041866|0.107566|0.182919|0.102316|0.123311|0.123866|0.139520|0.201005|0.174228|0.220318|0.500000| |2.159092|2.372969|2.284232|2.398421|2.662030|2.814979|2.637640|3.630033|2.878310|21.751851|3.747972|2.281090|2.160640|1.845869|2.362089|0.050268|1.719192|1.586183|2.563915|1.447330|1.536868|3.048954|4.804882|3.994668|4.735076|7.108734|8.909907|5.705667|4.247870|4.886041|5.523997|8.813141|17.549160|0.063874|0.055800|0.055612|0.058094|0.062503|0.074543|0.060478|0.059580|0.061110|0.063140|0.049870|0.048532|0.045575|0.052269|0.043009|0.045567|0.037284|0.041196|0.042552|0.041007|0.112395|0.211758|0.097649|0.124159|0.108431|0.123298|0.141001|0.217802|0.208370|0.304334|0.500000| 1712.146112 -10648.472317 4103.258118 -207.970471 -5041.038558 3327.414106 -1713.624452 2.000863 40B3AFFFFFFFFFF8 44932CA009CA7769 44145E2428249C96 42B19E807839D200 40A1400000000000 44DAA3A89035246D