Version2.4 2021-05-21T05:14:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 13-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(sc(c1C(=O)NC2CCCC2)NC(=O)[C@H]3CC(=C(C[C@H]3C(=O)[O-])C)C)C C17091513 RHF 6-31G(d) (6D,7F) Cc1c(sc(c1C(=O)NC2CCCC2)NC(=O)[C@H]3CC(=C(C[C@H]3C(=O)[O-])C)C)C C01[X(C22H29N2O4S1)] 168 C1 497 O=C([C@H]1CC(=C(C[C@H]1C(=O)[O-])C)C)Nc1sc(c(c1C(=O)NC1CCCC1)C)C O=C([C@H]1CC(=C(C[C@H]1C(=O)[O-])C)C)Nc1sc(c(c1C(=O)NC1CCCC1)C)C CC1=C(C)C[C@@H]([C@@H](C1)C([O-])=O)C(=O)Nc2sc(C)c(C)c2C(=O)NC3CCCC3 InChIKey=QXLUNPBXHJHJLW-DLBZAZTESA-M InChI=1S/C22H30N2O4S/c1-11-9-16(17(22(27)28)10-12(11)2)19(25)24-21-18(13(3)14(4)29-21)20(26)23-15-7-5-6-8-15/h15-17H,5-10H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)/p-1/t16-,17+/m0/s1 InChI=1/C22H30N2O4S/c1-11-9-16(17(22(27)28)10-12(11)2)19(25)24-21-18(13(3)14(4)29-21)20(26)23-15-7-5-6-8-15/h15-17H,5-10H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)/p-1/t16-,17+/m0/s1/fC22H29N2O4S/h23-24H/q-1 Cc1c(sc(c1C(=O)NC2CCCC2)NC(=O)[C@H]3CC(=C(C[C@H]3C(=O)[O-])C)C)C C01[X(C22H29N2O4S1)] 168 C01 497 O=C([C@H]1CC(=C(C[C@H]1C(=O)[O-])C)C)Nc1sc(c(c1C(=O)NC1CCCC1)C)C O=C([C@H]1CC(=C(C[C@H]1[C]([O])[O])C)C)N[C]1SC(=[C]([C]=1[C]([NH]C1CCCC1)=O)C)C CC1=C(C)C[C@@H]([C@@H](C1)[C]([O])[O])C(=O)Nc2sc(C)c(C)c2C(=O)NC3CCCC3 InChIKey=UMVAAYOIWHQCND-DLBZAZTESA-N InChI=1S/C22H29N2O4S/c1-11-9-16(17(22(27)28)10-12(11)2)19(25)24-21-18(13(3)14(4)29-21)20(26)23-15-7-5-6-8-15/h15-17H,5-10H2,1-4H3,(H,23,26)(H,24,25)/t16-,17+/m0/s1 InChI=1/C22H29N2O4S/c1-11-9-16(17(22(27)28)10-12(11)2)19(25)24-21-18(13(3)14(4)29-21)20(26)23-15-7-5-6-8-15/h15-17H,5-10H2,1-4H3,(H,23,26)(H,24,25)/t16-,17+/m0/s1/f/h23-24H 3148.4211242562 -1655.9459176 1-A 12938.9476 112 385 497 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.85991 -20.42473 -20.40214 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106.2033 125.2121 131.4601 146.6063 153.8819 167.5450 173.6100 177.9106 188.0618 203.8336 212.9211 246.2106 258.1681 274.7718 301.4458 307.5553 327.7190 343.3762 355.5866 366.7435 382.7616 394.8990 397.5299 400.2891 444.2047 458.6264 489.0308 519.2936 530.6718 548.4132 561.0312 587.9461 608.0993 611.4354 630.8795 645.9466 655.6405 679.6197 703.7180 731.8700 744.4904 773.4685 797.1493 829.7705 855.5534 866.2136 877.9436 888.3934 908.1463 918.3080 937.3338 952.5592 958.5911 971.1683 986.8329 1006.3565 1012.4229 1021.8762 1055.0796 1065.9667 1088.6305 1092.3963 1101.3545 1111.9830 1120.8096 1137.0945 1141.1769 1147.8025 1156.7170 1176.8639 1190.3501 1203.6758 1209.7364 1230.4252 1231.6270 1233.3495 1250.8615 1264.5615 1311.3828 1315.3149 1325.9615 1332.9528 1350.1881 1355.2199 1362.4526 1374.2874 1402.7658 1410.7311 1423.6238 1429.0791 1440.2526 1458.8293 1461.4023 1476.1768 1484.6248 1504.0406 1517.1801 1522.6123 1530.0541 1547.0861 1550.0542 1556.7671 1563.0575 1563.9292 1570.8665 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2.0674 2.1562 2.1579 2.3701 1.7414 1.5825 1.6867 1.6016 1.9451 1.6726 1.3696 1.8136 1.5004 2.0423 2.6530 2.1272 2.9426 3.1072 2.8140 2.1511 3.4509 1.5858 1.4529 1.5143 2.5974 1.5721 1.9693 1.1967 2.2410 1.5339 1.3400 1.5564 1.5629 2.0673 1.4833 1.5822 1.3336 1.4264 1.3198 2.5792 1.5751 2.2965 1.6116 3.0904 1.6403 1.3331 1.6469 1.2327 1.2496 1.0770 1.0780 1.0583 1.0491 1.0866 1.0743 1.0613 1.0557 1.0901 1.0786 1.1088 1.0963 1.0691 2.2015 1.4622 1.9999 2.6785 3.5481 8.4242 6.3144 7.4561 5.4626 1.0752 1.0746 1.0719 1.0460 1.0547 1.0723 1.0433 1.0728 1.0720 1.0843 1.0984 1.0984 1.0387 1.0788 1.0981 1.0757 1.0866 1.0898 1.0879 1.0966 1.1022 1.0974 1.1056 1.0973 1.0966 1.1011 1.0917 1.0864 1.0814 0.0013 0.0022 0.0024 0.0014 0.0048 0.0094 0.0108 0.0095 0.0245 0.0239 0.0297 0.0210 0.0394 0.0108 0.0513 0.0158 0.0364 0.0852 0.0248 0.0993 0.0693 0.1182 0.1629 0.1397 0.1883 0.2003 0.3054 0.3558 0.2434 0.2299 0.3590 0.2386 0.3022 0.4279 0.2766 0.5833 0.5055 0.5072 0.6205 0.5713 0.8104 0.7451 0.8265 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54.1411 48.8734 39.9907 29.6923 46.0615 32.1900 29.5039 21.4945 18.2806 37.2600 28.1510 32.3375 40.0844 18.9660 26.0437 72.6982 727.4210 239.1797 0.3522 1.3843 1.1925 0.5389 0.0784 1.1544 0.6570 0.3128 0.6362 1.1269 0.8075 0.6213 0.4950 0.3059 0.5495 0.2492 0.7399 0.2877 0.4507 0.4884 0.3963 1.7245 0.5543 0.9462 2.0118 0.8725 1.1722 2.9926 0.9457 0.9359 1.3237 1.2580 0.9899 0.7134 0.9145 1.6669 2.8823 0.9065 2.4558 0.6408 2.6129 17.3542 5.9173 1.4611 3.5536 2.8371 1.2531 2.1731 1.8949 6.4413 4.1717 11.8684 1.9831 3.3740 1.5175 2.5092 1.2028 4.7797 2.5145 5.1277 1.1462 7.6883 4.3235 16.2751 2.3349 0.9143 0.9398 2.1675 8.6911 2.8434 4.4066 4.5441 10.8197 5.3471 2.5940 7.0114 5.5076 6.8956 3.8368 4.0380 1.2146 1.2402 2.7722 2.8171 0.8521 7.5161 3.2550 2.7508 9.9216 5.5976 4.3755 5.0667 2.3810 6.7884 2.9385 10.8851 6.9976 5.5244 14.4136 4.8582 1.9013 7.9444 8.6310 12.2166 2.6916 5.8042 4.0613 19.8919 1.4571 5.2257 2.9037 7.9841 6.3498 26.5790 7.3754 11.8356 11.0891 18.4330 24.6632 12.1338 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 15.99491 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 10780.1196 12981.4401 20887.3650 0.99961 0.02668 0.00799 -0.02666 0.99964 -0.00273 -0.00806 0.00251 0.99996 1 0.00803 0.00667 0.00415 0.16741 0.13902 0.08640 28.81 40.82 59.23 60.65 75.30 82.76 90.63 106.32 123.67 131.54 139.98 152.80 180.15 189.14 210.93 221.40 241.06 249.79 255.97 270.58 293.27 306.35 354.24 371.45 395.34 433.71 442.50 471.51 494.04 511.61 527.66 550.71 568.17 571.96 575.93 639.11 659.86 703.61 747.15 763.52 789.04 807.20 845.92 874.92 879.72 907.69 929.37 943.32 977.82 1012.49 1053.00 1071.16 1112.85 1146.92 1193.85 1230.95 1246.29 1263.17 1278.20 1306.62 1321.24 1348.61 1370.52 1379.20 1397.29 1419.83 1447.92 1456.65 1470.25 1518.02 1533.69 1566.30 1571.71 1584.60 1599.90 1612.60 1636.03 1641.90 1651.43 1664.26 1693.24 1712.65 1731.82 1740.54 1770.31 1772.04 1774.51 1799.71 1819.42 1886.79 1892.44 1907.76 1917.82 1942.62 1949.86 1960.27 1977.29 2018.27 2029.73 2048.28 2056.13 2072.20 2098.93 2102.63 2123.89 2136.04 2163.98 2182.88 2190.70 2201.41 2225.91 2230.18 2239.84 2248.89 2250.15 2260.13 2265.59 2336.71 2342.48 2346.27 2347.22 2347.73 2352.81 2357.94 2358.06 2358.74 2360.66 2371.38 2372.45 2380.53 2404.58 2406.66 2481.29 2572.16 2603.25 2684.64 2707.55 2750.20 2804.44 4551.40 4561.93 4564.64 4577.57 4584.44 4587.45 4593.62 4600.83 4627.63 4633.95 4636.43 4640.14 4641.80 4645.58 4661.51 4662.67 4683.03 4688.78 4696.83 4712.72 4717.87 4727.62 4731.60 4741.28 4755.91 4756.55 4768.77 5073.63 5496.71 0.521132 0.549159 0.550103 0.460560 -1655.424785 -1655.396759 -1655.395814 -1655.485358 3.003320D-04 MUNgauss RevisionA2.1 retrievium 21-May-2021 DUDE Cc1c(sc(c1C(=O)NC2CCCC2)NC(=O)[C@H]3CC(=C(C[C@H]3C(=O)[O-])C)C)C C17091513 RHF 6-31G(d) (6D,10F) C1 417.184804 |X|Y|Z| 73.084257 81.335631 31.339271 57.112502 20 6 7 16 17 2 1 |36.858105| |12.621612|36.858105| |7.551799|14.177368|36.858105| |4.722884|7.426684|10.949245|388.023441| |5.053991|8.128624|7.631854|77.751611|36.858105| |7.291232|13.033358|8.156936|52.703534|14.026459|36.858105| |6.287576|7.440166|5.115989|33.484951|7.398531|12.647328|36.858105| |6.691639|6.595386|4.589820|28.292376|5.399091|8.148424|15.710885|73.516695| |4.544460|5.148599|3.995297|28.238402|6.079169|7.721660|14.207273|15.176761|53.358707| |3.706659|3.857397|3.120719|21.782718|4.192971|4.987480|7.825693|12.358651|17.844519|36.858105| |3.024621|3.138956|2.657934|18.942425|3.480961|3.869292|5.113631|8.058409|10.437273|12.341825|36.858105| |2.518286|2.589308|2.249540|16.173214|2.865473|3.092725|3.913971|6.570649|7.006246|7.728334|12.300709|36.858105| |2.609240|2.661674|2.293370|16.339572|2.897227|3.173672|4.138612|7.357063|6.959247|7.980310|7.735657|12.366300|36.858105| |3.130097|3.287997|2.764331|19.819610|3.706883|4.144093|5.855846|10.147133|10.264644|12.424072|7.833164|7.904157|12.457580|36.858105| |3.776844|5.162817|4.946416|49.623720|13.719961|7.733219|6.059551|8.029691|8.185564|4.281928|3.704604|3.086681|3.067062|3.928574|53.358707| |3.065995|3.987692|4.099976|43.021496|7.779234|5.143554|4.282515|6.208209|5.840125|3.392492|3.066885|2.687125|2.675920|3.286047|19.053247|36.858105| |2.958059|3.846702|4.203166|47.042419|6.721648|4.589358|3.720152|5.631695|4.837835|2.893046|2.606106|2.324946|2.348873|2.833937|11.512532|15.839452|73.516695| |2.546815|3.120597|3.134294|29.420333|5.054631|3.889215|3.553168|5.273467|5.203935|3.208334|3.071388|2.761014|2.676682|3.171563|10.628842|12.397547|14.069970|36.858105| |2.518750|3.068145|3.094745|28.703742|4.811160|3.764613|3.414111|5.034425|5.080204|3.121033|3.082769|2.720283|2.562791|2.976566|9.544517|9.092300|11.423698|17.526018|0.500000| |2.185658|2.616023|2.693515|24.862966|3.847448|3.084390|2.830185|4.383090|4.025191|2.589471|2.494328|2.322125|2.283139|2.624668|6.932257|7.602272|12.361223|12.459508|0.246062|36.858105| |2.073138|2.441973|2.487479|22.192732|3.439777|2.855850|2.690935|4.276456|3.780405|2.498881|2.368845|2.268916|2.295676|2.636387|5.909671|5.920376|10.337385|7.462984|0.152666|12.539081|36.858105| |2.141692|2.501293|2.480255|21.487718|3.496765|2.981295|2.912171|4.657358|4.135260|2.782160|2.602171|2.537313|2.622960|3.051233|6.025986|5.546294|9.096088|6.616656|0.135442|7.639893|14.340076|36.858105| |2.367567|2.773025|2.659925|22.704535|4.003799|3.455306|3.512919|5.472703|5.227307|3.512016|3.273123|3.174124|3.267198|3.929061|7.313522|6.134721|8.845946|7.585283|0.153724|6.473460|7.643996|12.554966|36.858105| |2.431392|2.880515|2.772404|24.116006|4.335200|3.638594|3.621659|5.428560|5.622211|3.644239|3.560835|3.302767|3.188309|3.775649|8.574904|7.244614|9.330210|12.358978|0.246738|7.698906|6.658603|7.480213|12.469780|36.858105| |2.147885|2.491663|2.421393|20.675736|3.521310|3.035836|3.033480|4.660099|4.687945|3.158894|3.209802|3.066788|2.907807|3.279354|6.442234|5.450184|7.693721|9.056578|0.216015|7.483565|6.449144|6.792387|9.013472|17.499881|0.500000| |2.608385|3.036502|2.806853|23.213971|4.394040|3.938431|4.199795|6.128348|7.236966|4.759410|4.909560|4.372383|3.976012|4.748292|8.304110|5.640624|7.446752|7.168715|0.188387|4.865461|4.331433|4.857946|7.457525|12.296340|0.252968|36.858105| |2.396042|2.696396|2.468397|19.663251|3.594587|3.396019|3.800164|5.798255|6.593824|4.882696|5.316984|5.254835|4.689071|5.283907|6.207177|4.255954|6.038362|5.102622|0.133537|3.960151|3.786314|4.415456|6.642014|8.110160|0.203326|15.597772|73.516695| |2.917164|3.446364|3.149811|25.967473|5.099200|4.576667|4.781904|6.647418|8.605623|5.150089|5.392389|4.307882|3.786658|4.555193|9.614264|5.812574|7.568216|6.632343|0.198584|4.395281|3.729710|3.946524|5.357149|7.938052|0.176547|15.172196|15.259361|73.516695| |1.977121|2.254795|2.224634|18.545413|2.946720|2.619858|2.613090|4.327417|3.649330|2.537408|2.354350|2.361080|2.513195|2.869211|4.739565|4.035353|6.973290|4.363225|0.097841|4.854439|7.551210|12.604568|7.557748|4.908647|0.129152|3.760691|6.517555|5.585973|36.858105| |1.853071|2.150848|2.229096|19.552682|2.859219|2.425083|2.270320|3.686566|3.131446|2.097213|1.995405|1.926779|1.956666|2.202226|4.596315|4.359110|8.321684|4.921858|0.113535|7.563439|12.610272|7.545187|4.854955|4.375997|0.122549|3.229912|5.200877|5.152461|6.192491|36.858105| |6.029077|7.379003|12.661643|48.640236|4.815239|5.000572|3.721876|6.299615|4.176269|2.538176|2.222701|1.924753|1.960466|2.290744|4.920987|3.221910|6.047901|2.587136|0.071485|2.315426|2.159278|2.129731|2.227660|2.302275|0.057229|2.306971|3.676296|4.519891|1.946392|1.992956|36.858105| |17.582171|8.866146|5.785642|29.200888|4.658168|6.727616|6.640349|12.420151|6.826305|4.135113|3.387468|2.746596|2.799166|3.322011|4.969062|2.934749|4.912404|2.503178|0.069596|2.127779|2.006318|2.081046|2.334524|2.430811|0.059920|2.680998|4.411415|5.412118|1.914944|1.782918|4.728049|0.500000| |17.612879|8.852288|6.028234|29.542345|4.517197|6.306488|6.085416|13.288678|5.914649|3.704483|2.951794|2.517306|2.686100|3.237685|4.767114|2.893855|4.995006|2.422125|0.065501|2.102428|2.034131|2.128219|2.346964|2.351935|0.057752|2.509561|4.165745|4.866308|1.998131|1.824524|5.075872|0.304548|0.500000| |17.584534|8.864118|7.146195|31.041239|4.253033|5.460729|4.662882|8.635910|4.976380|3.083770|2.620114|2.220808|2.279276|2.659057|4.459323|2.757710|4.825228|2.316733|0.064161|2.025014|1.916325|1.955724|2.124595|2.187727|0.054389|2.315198|3.790417|4.579369|1.813166|1.738196|6.914860|0.302296|0.299951|0.500000| |4.025843|4.757934|3.906271|29.372155|6.488896|7.132431|9.266293|10.805471|25.966657|9.102934|7.372090|4.952257|4.589566|6.252693|9.802803|4.943652|6.934468|4.515149|0.125377|3.328634|3.027812|3.272695|4.228544|4.888885|0.111075|6.756732|10.073222|16.392410|2.793696|2.462786|3.002675|0.121135|0.104207|0.093142|0.500000| |3.985826|3.885944|3.084355|20.585748|3.797809|4.712042|7.399720|13.761761|12.653800|17.600890|8.799774|6.381372|6.976408|8.928241|5.004638|2.966385|4.632539|2.764708|0.075115|2.290856|2.222516|2.445740|2.973464|3.040659|0.074564|3.756541|6.805022|7.224869|2.272623|1.904059|2.548994|0.127534|0.112975|0.091433|0.183387|0.500000| |3.033463|3.051724|2.581042|17.948336|3.197107|3.612204|4.635320|7.512338|8.645609|8.738081|17.534312|8.634930|5.961964|5.741678|4.477041|2.745596|4.223882|2.724078|0.077211|2.249325|2.121712|2.288898|2.787534|3.042334|0.077465|3.992247|7.422523|8.011610|2.084267|1.817599|2.189450|0.096881|0.081365|0.073759|0.167873|0.225392|0.500000| |2.923886|3.141239|2.712673|19.956290|3.712653|3.947117|4.906791|7.325070|10.183939|8.792044|17.620900|8.782784|5.927510|6.391529|5.630093|3.418373|5.036085|3.527110|0.100330|2.785981|2.585436|2.816843|3.609747|4.157963|0.103922|6.229062|11.672146|12.972336|2.480237|2.146283|2.253550|0.089687|0.077831|0.070950|0.238987|0.176299|0.301883|0.500000| |2.322720|2.341972|2.050570|14.568449|2.509638|2.713549|3.344831|5.746774|5.685673|5.820408|8.626774|17.529508|8.679368|5.695443|3.615820|2.346292|3.667558|2.409904|0.066643|2.067052|2.017836|2.225718|2.700482|2.811830|0.073983|3.574849|7.410453|6.359958|2.092894|1.742534|1.783586|0.070763|0.064488|0.057655|0.111695|0.149803|0.221789|0.183477|0.500000| |2.318199|2.431699|2.153734|15.859549|2.796784|2.916445|3.545442|5.826500|6.269314|6.078888|8.825631|17.594659|8.828325|6.627443|4.234505|2.772137|4.228155|2.949033|0.080633|2.483000|2.427929|2.733325|3.476582|3.661622|0.096335|4.979865|11.646000|8.254222|2.523074|2.042882|1.847029|0.069171|0.064005|0.057284|0.130525|0.136822|0.180166|0.233161|0.301804|0.500000| |2.621577|2.593176|2.221150|15.449141|2.683083|3.001422|3.914545|7.321487|6.232308|6.947707|6.465066|8.753746|17.485331|8.825198|3.748003|2.405390|3.819245|2.367451|0.063384|2.046898|2.056930|2.317494|2.796234|2.729380|0.069614|3.292248|6.609532|5.734666|2.245369|1.782612|1.921008|0.078799|0.075910|0.063808|0.111299|0.200223|0.156737|0.135912|0.219760|0.174770|0.500000| |2.321917|2.385254|2.097055|15.137637|2.632441|2.808520|3.501917|6.236598|5.641002|5.656921|5.617664|8.662576|17.546337|8.675317|3.842481|2.537999|3.996048|2.581424|0.067963|2.248256|2.304442|2.668043|3.298116|3.120843|0.080422|3.763438|8.145458|6.115237|2.614874|1.972845|1.812370|0.068019|0.066644|0.057053|0.107092|0.140216|0.126665|0.132996|0.193676|0.221152|0.302118|0.500000| |2.936939|3.204854|2.762528|20.629399|3.919525|4.133251|5.445010|8.808131|9.619885|8.853272|6.830767|6.947939|8.854242|17.572955|6.017851|3.751914|5.612611|3.715627|0.094614|3.020765|3.060607|3.647375|5.008069|4.694107|0.110356|6.070935|12.548627|9.531022|3.365809|2.487777|2.276635|0.084885|0.083223|0.069992|0.182149|0.175255|0.138336|0.178977|0.139369|0.189378|0.173835|0.214906|0.500000| |3.278401|3.393403|2.833976|19.951450|3.667759|4.183033|5.920470|11.420425|8.832457|8.714452|5.614375|5.618714|8.638083|17.567262|5.091675|3.158652|4.971033|2.957716|0.076196|2.500590|2.556990|2.966157|3.689409|3.408752|0.082274|3.996203|7.599411|6.836680|2.865160|2.165311|2.357158|0.094740|0.097459|0.076836|0.145539|0.219809|0.127294|0.132674|0.125362|0.135491|0.214483|0.197300|0.299660|0.500000| |3.581220|4.629996|4.247183|38.075636|9.210695|6.880891|6.213916|8.016005|9.705415|4.938224|4.409627|3.548202|3.405396|4.369450|25.646391|9.557936|10.947866|7.772801|0.210059|4.834014|4.078082|4.243284|5.500486|7.142500|0.146405|8.148070|9.946869|19.730832|3.338274|3.151123|3.208786|0.100071|0.092068|0.086091|0.275777|0.112827|0.106366|0.143782|0.083423|0.100301|0.083347|0.085883|0.138999|0.110184|0.500000| |1.991399|2.337674|2.392453|21.352165|3.276981|2.717480|2.540830|3.966474|3.672850|2.413393|2.388149|2.247181|2.173984|2.438897|5.701857|5.572166|9.021815|8.886749|0.223048|17.469400|8.906810|6.166733|5.473180|6.826573|0.218487|4.598168|6.840918|7.361757|4.266019|6.593976|2.089399|0.054405|0.053135|0.051585|0.084527|0.059475|0.060202|0.074577|0.056061|0.067491|0.054164|0.059786|0.077485|0.063911|0.115882|0.500000| |2.190480|2.641387|2.799251|26.569640|3.841610|3.036371|2.703295|4.211610|3.747537|2.389692|2.284497|2.109741|2.081166|2.387711|6.579460|7.305492|14.034776|8.843681|0.207028|17.588064|8.940468|5.818543|4.933060|5.563048|0.147533|3.992930|5.880418|6.786701|4.155611|7.326924|2.436987|0.058639|0.058207|0.056981|0.085088|0.059644|0.058070|0.070115|0.052675|0.061764|0.052534|0.056605|0.074689|0.063971|0.122166|0.303859|0.500000| |2.192759|2.500803|2.370975|19.514647|3.390894|3.063302|3.232408|5.154259|4.908024|3.487623|3.331118|3.388825|3.515058|4.076081|5.848765|4.597593|6.898160|5.543955|0.124586|4.984081|5.843964|8.892771|17.574455|8.925049|0.222147|6.924918|13.123866|8.608377|7.154621|4.157053|2.014202|0.060685|0.060851|0.054787|0.108258|0.081938|0.078077|0.100987|0.079807|0.105986|0.082166|0.101948|0.147191|0.104798|0.126157|0.127283|0.109970|0.500000| |2.657014|3.147101|2.965632|25.152121|4.641605|4.033542|4.162077|6.459175|6.052640|3.980372|3.500549|3.339839|3.568898|4.559627|8.396465|6.493034|9.369493|6.590098|0.138116|5.355251|6.092771|8.915679|17.470892|8.808682|0.174950|6.847034|10.866472|9.456729|6.731761|4.244080|2.435674|0.072201|0.073927|0.065241|0.132179|0.093044|0.082080|0.104746|0.077988|0.098625|0.084889|0.098582|0.164474|0.122173|0.168797|0.123425|0.122969|0.305470|0.500000| |1.857661|2.110461|2.114598|17.624542|2.698427|2.398158|2.352743|3.930890|3.235532|2.242642|2.087707|2.084195|2.207604|2.489837|4.228521|3.636065|6.582952|3.842758|0.088318|4.498338|6.994106|8.708957|5.476217|4.035012|0.108441|3.166232|5.439026|4.866768|17.619405|7.048386|1.880010|0.049680|0.052148|0.047800|0.068499|0.056625|0.052070|0.060825|0.051990|0.061323|0.055633|0.063505|0.079053|0.069632|0.081639|0.111035|0.112425|0.142445|0.140433|0.500000| |2.109830|2.400823|2.342574|19.253101|3.101192|2.800617|2.829509|4.748594|3.891872|2.716509|2.455246|2.465748|2.697779|3.142528|4.882976|3.996298|6.917012|4.050420|0.091643|4.200559|5.847678|8.905648|7.074211|4.554998|0.114524|3.692142|6.458227|5.553822|17.515718|4.879080|2.036878|0.056476|0.059945|0.053350|0.081129|0.067810|0.060110|0.070750|0.060373|0.072195|0.067104|0.078073|0.102368|0.089341|0.094545|0.101373|0.102934|0.187366|0.205579|0.302575|0.500000| |1.839818|2.066062|2.019816|16.504517|2.633314|2.390149|2.432987|4.055863|3.458968|2.467484|2.333949|2.396959|2.546342|2.827986|4.204832|3.467319|5.863655|3.868474|0.089710|4.215822|5.968509|8.856264|6.727696|4.583273|0.126838|3.655883|6.626987|5.346851|17.499970|5.091802|1.778843|0.049990|0.051691|0.046949|0.073478|0.061360|0.057300|0.068176|0.059252|0.072140|0.062876|0.075035|0.092308|0.077592|0.084646|0.108962|0.099699|0.207626|0.159928|0.301271|0.303294|0.500000| |1.912004|2.236520|2.361965|21.057123|2.963986|2.486674|2.278482|3.708064|3.083420|2.040680|1.921496|1.835359|1.869894|2.118476|4.649871|4.457709|9.191146|4.629924|0.108615|6.713684|8.880060|6.003794|4.236199|3.904188|0.105571|2.981676|4.754661|4.899727|5.138362|17.512662|2.127672|0.050599|0.052203|0.050095|0.066973|0.051894|0.048963|0.057104|0.046244|0.053427|0.047721|0.051943|0.065655|0.058392|0.086233|0.155509|0.210561|0.099969|0.108773|0.163146|0.122067|0.116578|0.500000| |1.750255|2.003764|2.059127|17.593189|2.583397|2.243157|2.134647|3.517721|2.938099|2.001071|1.900371|1.862528|1.912909|2.134426|4.064932|3.674835|6.922898|4.036458|0.094768|5.481320|8.714632|6.980526|4.495241|3.844867|0.108065|2.945075|4.888568|4.660923|7.028369|17.619306|1.855361|0.046795|0.048319|0.045630|0.063348|0.050739|0.048083|0.056180|0.046950|0.054839|0.048548|0.054146|0.066773|0.058765|0.078086|0.139146|0.144483|0.112122|0.110851|0.259908|0.147825|0.161468|0.301196|0.500000| |1.730641|1.993315|2.069015|17.982071|2.607146|2.229369|2.091696|3.394248|2.911553|1.960945|1.897197|1.834097|1.837273|2.037838|4.167389|3.875802|7.241425|4.552983|0.110688|7.101286|8.891088|5.817507|4.186501|4.040372|0.118701|3.046521|4.924037|4.907973|4.848322|17.496317|1.867468|0.046547|0.047065|0.045366|0.063975|0.049571|0.048327|0.056976|0.046408|0.054248|0.046596|0.051434|0.063519|0.055186|0.080917|0.199690|0.195508|0.102904|0.100607|0.147471|0.109042|0.120071|0.302869|0.302561|0.500000| |4.718652|5.705391|8.878698|46.570551|4.402447|4.322151|3.307811|5.642894|3.774733|2.328962|2.048952|1.803437|1.848870|2.152888|4.669677|3.184712|6.204373|2.549260|0.069610|2.334936|2.199838|2.152484|2.205657|2.248954|0.056114|2.204477|3.520522|4.242302|1.980560|2.060986|17.541210|0.106192|0.118785|0.143278|0.075848|0.064461|0.055595|0.057846|0.046412|0.048443|0.050168|0.047985|0.060015|0.061851|0.083411|0.058220|0.069138|0.055198|0.066821|0.053706|0.057557|0.049940|0.061931|0.053362|0.053425|0.500000| |5.094549|5.934210|8.827813|42.680377|4.306001|4.361916|3.339911|5.569070|3.889257|2.381815|2.135191|1.845110|1.851174|2.132410|4.583665|3.040431|5.662872|2.496512|0.070354|2.242502|2.060359|2.010299|2.099442|2.207061|0.055438|2.219009|3.529488|4.389047|1.826414|1.910620|17.517006|0.119583|0.117358|0.165204|0.079030|0.066255|0.058979|0.060611|0.047797|0.049363|0.050347|0.047567|0.058989|0.060115|0.084657|0.056857|0.065914|0.052914|0.062778|0.049099|0.052505|0.046652|0.056540|0.049204|0.050300|0.302227|0.500000| |6.775047|6.862116|8.858862|36.572762|4.122150|4.554701|3.603320|6.371460|4.009693|2.490532|2.169302|1.888528|1.938389|2.248773|4.327653|2.821733|5.212989|2.320551|0.063907|2.086005|1.972887|1.969333|2.068324|2.115485|0.052856|2.144981|3.471367|4.172996|1.825949|1.826825|17.605038|0.141662|0.161891|0.245452|0.078402|0.070884|0.059850|0.060193|0.048929|0.049910|0.053398|0.049684|0.061174|0.064921|0.080129|0.052700|0.060278|0.052597|0.062968|0.048967|0.053395|0.046686|0.053773|0.047731|0.047593|0.302795|0.301580|0.500000| 1654.340780 -10214.482344 3952.281180 -196.506915 -4804.367299 3148.421351 -1655.945948 2.000970 4080800000000008 442E6D42039CFFEA 43B176F6D301B8C7 41E18415E0A00001 C050C00000000000 433A2F559CA93C79