Version2.2 2021-02-09T09:43:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1c2c(sc1C(=O)NNC(=O)CCN3C(=O)C4(CCCCC4)NC3=O)CCCC2 C12735175 RHF 6-31G(d) (6D,7F) c1c2c(sc1C(=O)NNC(=O)CCN3C(=O)C4(CCCCC4)NC3=O)CCCC2 C01[X(C20H26N4O4S1)] 159 C1 491 O=C(CCN1C(=O)NC2(C1=O)CCCCC2)NNC(=O)c1cc2c(s1)CCCC2 O=C(CCN1C(=O)NC2(C1=O)CCCCC2)NNC(=O)c1cc2c(s1)CCCC2 O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c3sc4CCCCc4c3 InChIKey=FSEWEDMBZOYCKL-UHFFFAOYSA-N InChI=1S/C20H26N4O4S/c25-16(22-23-17(26)15-12-13-6-2-3-7-14(13)29-15)8-11-24-18(27)20(21-19(24)28)9-4-1-5-10-20/h12H,1-11H2,(H,21,28)(H,22,25)(H,23,26) InChI=1/C20H26N4O4S/c25-16(22-23-17(26)15-12-13-6-2-3-7-14(13)29-15)8-11-24-18(27)20(21-19(24)28)9-4-1-5-10-20/h12H,1-11H2,(H,21,28)(H,22,25)(H,23,26)/f/h21-23H c1c2c(sc1C(=O)NNC(=O)CCN3C(=O)C4(CCCCC4)NC3=O)CCCC2 C01[X(C20H26N4O4S1)] 159 C01 491 O=C(CCN1C(=O)NC2(C1=O)CCCCC2)NNC(=O)c1cc2c(s1)CCCC2 O=C(CCN1C(=O)NC2(C1=O)CCCCC2)NNC(=O)C1=[CH][C]2=C(S1)CCCC2 O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c3sc4CCCCc4c3 InChIKey=FSEWEDMBZOYCKL-UHFFFAOYSA-N InChI=1S/C20H26N4O4S/c25-16(22-23-17(26)15-12-13-6-2-3-7-14(13)29-15)8-11-24-18(27)20(21-19(24)28)9-4-1-5-10-20/h12H,1-11H2,(H,21,28)(H,22,25)(H,23,26) InChI=1/C20H26N4O4S/c25-16(22-23-17(26)15-12-13-6-2-3-7-14(13)29-15)8-11-24-18(27)20(21-19(24)28)9-4-1-5-10-20/h12H,1-11H2,(H,21,28)(H,22,25)(H,23,26)/f/h21-23H 2785.5891200348 -1687.3486088 1-A 27094.5531 111 380 491 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97438 -20.55382 -20.53936 -20.53688 -20.53463 -15.62142 -15.62008 -15.61520 -15.59447 -11.38937 -11.36736 -11.36335 -11.35604 -11.29835 -11.27235 -11.27146 -11.26540 -11.24741 -11.24363 -11.24319 -11.24156 -11.24025 -11.23754 -11.23709 -11.23413 -11.23403 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6.8898 21.6472 14.4335 52.1694 4.1750 1.4586 5.7695 16.7543 3.7886 5.5866 3.5029 0.1678 2.1895 1.4017 4.6753 5.0133 4.5310 12.2836 3.2875 5.2691 8.0534 0.4242 25.0572 21.4092 0.1526 24.4472 0.2921 0.1194 24.9749 33.4070 37.7209 0.9332 7.1403 10.4036 163.8260 24.8223 26.2062 6.8461 238.0310 33.8850 3.6441 5.4354 11.9563 1.1972 16.6040 28.3038 46.1554 87.7366 0.6492 6.8631 7.5642 31.4632 5.2211 5.4700 56.1962 0.0490 11.8675 16.3720 6.2695 244.8501 3.3420 389.2579 74.6147 1.8499 1.1820 145.5172 0.1497 2.6222 4.4594 2.7378 10.9806 108.5580 5.7981 0.0211 265.4638 93.7901 33.0463 366.5066 971.7693 177.6138 207.9580 19.9574 31.5176 17.6378 43.9310 18.8438 26.2337 26.6011 20.1383 7.1514 17.6345 49.4509 23.0393 70.9044 77.0793 39.1517 82.3733 75.4084 15.2993 6.5314 58.6780 9.6762 1.4835 0.2916 14.9463 69.0607 65.3928 0.1675 0.0196 0.6100 1.3477 1.2143 0.3790 0.7884 0.3516 0.5098 0.0818 1.0834 0.4295 0.1244 1.0938 0.4542 0.6310 0.8826 0.2630 1.8337 0.9461 0.1782 0.3635 1.4079 0.5826 0.4350 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0.6804 0.4607 0.8552 0.3180 0.4406 0.4500 0.3874 0.3629 0.8507 0.4428 0.2948 0.4933 0.6559 0.1098 0.3010 0.5732 0.5369 0.4349 0.5508 0.3917 0.4525 0.8425 0.8205 0.8351 0.8519 0.1284 0.7891 0.4708 0.1342 0.8096 0.3922 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 6 6 6 16 6 6 8 7 7 6 8 6 6 7 6 8 6 6 6 6 6 6 7 6 8 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 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 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 2735.8174 46797.3705 47726.5748 0.99999 0.00370 0.00332 -0.00373 0.99995 0.00882 -0.00329 -0.00884 0.99996 1 0.03166 0.00185 0.00181 0.65967 0.03857 0.03781 11.40 18.35 23.96 37.60 44.59 61.24 80.88 109.32 123.26 128.69 149.32 160.91 196.75 214.98 251.77 274.77 298.18 332.60 345.55 409.68 418.28 440.64 450.48 461.35 471.05 506.68 512.40 550.50 573.32 586.90 645.47 648.09 675.68 694.21 705.10 735.28 735.92 759.97 790.68 803.79 875.85 890.24 923.37 931.22 969.11 978.25 1027.08 1093.18 1115.17 1130.47 1163.05 1204.98 1227.09 1238.25 1241.96 1252.28 1276.02 1303.95 1309.32 1344.41 1353.00 1397.46 1404.06 1420.57 1435.74 1478.98 1484.59 1494.30 1527.83 1541.00 1579.60 1601.11 1624.81 1642.02 1644.25 1659.95 1665.76 1673.32 1707.05 1746.24 1771.84 1788.28 1803.74 1817.07 1831.79 1832.67 1865.82 1870.23 1899.85 1923.69 1924.19 1957.26 1995.37 2023.09 2023.23 2042.64 2047.12 2071.76 2081.75 2094.90 2144.00 2148.81 2167.34 2169.02 2171.84 2179.17 2194.69 2199.04 2200.73 2205.82 2233.97 2265.75 2275.93 2309.69 2325.00 2340.02 2341.17 2349.09 2350.73 2352.27 2357.32 2363.34 2363.82 2370.44 2378.39 2387.16 2407.02 2496.69 2585.99 2818.10 2846.53 2874.64 2934.47 4584.89 4591.31 4592.07 4598.17 4601.69 4604.22 4609.59 4626.86 4631.05 4636.45 4652.50 4661.28 4664.51 4664.96 4671.52 4672.43 4680.83 4694.21 4695.17 4704.65 4744.97 4839.52 4912.11 5562.48 5574.84 5629.37 0.490685 0.516521 0.517465 0.428778 -1686.857923 -1686.832088 -1686.831143 -1686.919831 2.974610D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE c1c2c(sc1C(=O)NNC(=O)CCN3C(=O)C4(CCCCC4)NC3=O)CCCC2 C12735175 RHF 6-31G(d) (6D,10F) C1 418.167477 |X|Y|Z| 25.766582 33.877067 159.006239 51.775654 25 6 7 16 20 4 1 |36.858105| |13.275177|36.858105| |8.239639|14.111756|36.858105| |7.452990|7.429873|10.998910|388.023441| |14.145947|8.187307|7.675134|77.789549|36.858105| |7.642312|5.091954|4.826281|47.292430|12.866037|36.858105| |6.611132|4.441069|3.978533|34.299328|8.110652|15.932215|73.516695| |5.187278|4.031019|4.151940|43.668683|7.871102|13.839411|15.053230|53.358707| |3.953619|3.180489|3.205712|30.311876|5.179260|8.087240|12.693311|18.894842|53.358707| |3.616907|2.937985|2.897203|25.783769|4.420501|6.314981|10.977233|10.962028|18.862237|36.858105| |3.802947|3.110331|3.056260|26.753512|4.564774|6.032497|10.050680|9.604592|11.535013|15.960215|73.516695| |2.909427|2.428849|2.376362|20.219395|3.362828|4.463778|8.419932|7.029623|10.684906|12.591859|14.165155|36.858105| |2.548961|2.183359|2.132825|17.590494|2.847490|3.524561|6.550205|5.320033|6.944538|7.588719|12.180426|12.487315|36.858105| |2.177889|1.895981|1.850083|14.970214|2.385153|2.871980|5.408292|4.239889|5.324595|5.012590|8.026502|7.731319|13.104446|53.358707| |1.946938|1.722295|1.701598|13.784421|2.137885|2.527192|4.662720|3.793790|4.699040|4.120201|6.583306|5.813004|7.639465|19.005921|36.858105| |1.924093|1.714634|1.716187|14.063149|2.138260|2.513918|4.529044|3.876958|4.814326|4.108896|6.542260|5.471097|6.569790|11.368191|15.975546|73.516695| |1.736919|1.549706|1.522095|12.104798|1.873404|2.174383|4.058746|3.176556|3.795640|3.197803|5.213296|4.217457|5.079968|11.100300|12.478368|13.940468|36.858105| |1.658583|1.484134|1.462030|11.640005|1.791371|2.075888|3.880723|3.035122|3.613179|2.907240|4.638892|3.757680|4.034627|7.609728|7.582373|11.089244|12.382943|36.858105| |1.487431|1.343151|1.319249|10.351975|1.585379|1.805589|3.381572|2.595396|3.003928|2.383002|3.884706|2.934673|3.135136|5.540499|4.904544|7.560051|7.487056|12.437557|36.858105| |1.376746|1.254589|1.236819|9.653332|1.462382|1.644034|3.045028|2.365640|2.701084|2.151754|3.582294|2.578768|2.833886|4.886280|4.364579|7.000363|6.405756|7.525063|12.442903|36.858105| |1.419802|1.292772|1.271857|9.907785|1.505132|1.690680|3.127089|2.429252|2.772995|2.260214|3.824727|2.711953|3.130921|5.523831|4.905345|7.571956|7.498576|6.447743|7.536592|12.442954|36.858105| |1.565831|1.416603|1.397974|11.016471|1.677443|1.905695|3.507603|2.777438|3.229346|2.690996|4.535643|3.318877|4.022182|7.556182|7.575444|11.123937|12.393962|7.535456|6.443448|7.527398|12.442763|36.858105| |1.811729|1.604481|1.555585|12.243532|1.930273|2.246275|4.280841|3.200612|3.791610|3.252778|5.368360|4.299153|5.291199|11.779602|8.332018|9.811532|13.100107|7.641746|6.080560|5.114352|6.100255|7.660309|53.358707| |2.065079|1.801550|1.735015|13.739520|2.209232|2.620479|5.057596|3.717929|4.484315|4.042654|6.657995|5.635899|7.591468|18.628355|8.344983|9.872306|8.102390|5.576202|4.387635|3.786618|4.350511|5.490720|19.145550|36.858105| |2.181894|1.888247|1.792804|14.026366|2.298540|2.722822|5.377265|3.743432|4.417888|3.992401|6.735491|5.242852|6.570246|11.283461|5.566118|7.491760|5.433494|4.264071|3.624154|3.173821|3.576274|4.180833|11.319005|15.977290|73.516695| |5.061400|7.510257|12.654290|47.634836|4.805196|3.523293|5.387043|4.388366|3.565106|2.403579|4.496328|2.027445|1.854217|2.223027|1.521364|2.740708|1.372358|1.322314|1.202669|1.135914|1.166555|1.274506|1.898273|1.536702|2.806651|36.858105| |4.462183|6.682787|7.650157|32.806940|3.911607|3.000687|4.806810|3.666752|3.077452|2.108944|3.927627|1.820161|1.680436|2.040574|1.395841|2.495183|1.274068|1.230155|1.128741|1.067165|1.094920|1.186494|1.773801|1.429587|2.628424|12.420078|36.858105| |4.917297|7.592070|6.743013|29.816244|3.968178|3.057152|5.013433|3.630722|3.077452|2.154961|4.067665|1.862343|1.734444|2.101433|1.423267|2.521995|1.302306|1.248889|1.147859|1.085299|1.119254|1.212005|1.830909|1.484184|2.757134|7.530461|12.443518|36.858105| |7.286673|12.620515|7.591833|33.670008|5.060607|3.740974|6.220677|4.199692|3.508938|2.446441|4.601188|2.094441|1.924012|2.315012|1.550499|2.728299|1.414986|1.356184|1.241308|1.164743|1.200769|1.303450|2.004692|1.640379|3.074160|6.282568|7.530537|12.429292|36.858105| |17.749049|8.561348|5.725706|37.730437|8.978303|6.912293|12.616828|6.341877|5.156545|3.582216|6.661593|2.954678|2.601334|3.043863|1.976494|3.426885|1.776956|1.693174|1.523737|1.404839|1.450845|1.594224|2.557190|2.154716|4.112836|4.036738|3.798838|4.355365|6.497123|0.500000| |4.902995|4.044041|4.385840|49.189701|7.354036|9.293842|10.940712|26.048516|13.037884|6.893119|12.067818|4.551989|3.668221|3.983588|2.659586|4.910590|2.222471|2.109974|1.812021|1.672709|1.725958|1.976895|3.016372|2.548351|4.523203|3.446625|2.794956|2.731213|3.077259|0.118120|0.500000| |3.633256|2.948771|2.950238|27.125818|4.595434|6.895096|12.020873|13.022800|26.054642|9.315538|10.907421|7.476929|4.724884|5.247530|3.461780|6.263461|2.842367|2.783349|2.306332|2.040419|2.062159|2.381280|3.852616|3.301979|5.750199|2.441392|2.139350|2.129418|2.430132|0.098394|0.192054|0.500000| |2.960489|2.439548|2.342103|19.551026|3.348465|4.487777|9.137005|6.547161|9.272566|9.010174|11.340912|17.528108|8.845935|9.481693|5.170176|8.192273|4.098008|3.755696|2.987362|2.566211|2.666351|3.168058|6.019783|5.911709|10.466526|1.989356|1.808629|1.863266|2.121045|0.085591|0.113849|0.198767|0.500000| |2.658266|2.260015|2.246558|19.268166|3.092304|4.010547|7.347313|6.567848|10.051065|8.905879|10.730181|17.554197|8.832380|9.607641|6.233777|11.298636|4.405784|4.119340|3.118226|2.709537|2.784634|3.427433|5.699548|5.068733|7.943745|1.940411|1.738188|1.755052|1.953179|0.073940|0.120068|0.215248|0.301722|0.500000| |2.448765|2.132359|2.115650|17.563685|2.756414|3.328540|5.939676|5.175672|6.588525|6.926496|12.043031|8.839533|17.647963|12.599046|7.201304|12.707395|4.689403|3.736200|2.933831|2.737066|3.049508|3.981772|6.179210|5.787151|8.874067|1.856448|1.669601|1.712505|1.875721|0.068231|0.103190|0.120829|0.173520|0.210405|0.500000| |2.659877|2.266108|2.180588|17.655844|2.911335|3.559677|6.732211|5.126939|6.315302|6.879888|12.591201|8.844317|17.682688|12.604328|5.765220|8.762452|4.382502|3.500040|2.853206|2.612387|2.921494|3.625124|6.699094|7.308504|13.159502|1.887986|1.722512|1.802060|2.010839|0.076538|0.098303|0.117472|0.213629|0.173534|0.302102|0.500000| |1.765944|1.566814|1.537779|12.295483|1.913056|2.245655|4.249745|3.274396|3.948414|3.144120|4.898905|4.166751|4.220480|7.783013|6.941407|10.161025|8.829216|17.541878|8.794445|5.481933|4.836883|5.496034|9.689744|5.772058|8.049485|1.381568|1.284828|1.304210|1.426095|0.050263|0.062321|0.086323|0.120015|0.128632|0.104693|0.101161|0.500000| |1.623313|1.460456|1.451148|11.626446|1.765819|2.038034|3.755150|3.024554|3.600148|2.851646|4.540899|3.610966|3.806563|6.757668|7.101903|12.213659|8.917502|17.553288|8.837464|6.787187|5.686531|6.843134|7.651855|4.558181|6.396016|1.317853|1.220591|1.231326|1.330194|0.045635|0.058905|0.076997|0.097131|0.113823|0.101874|0.090304|0.302568|0.500000| |1.499600|1.350657|1.317310|10.266835|1.586182|1.805678|3.417565|2.560934|2.947397|2.349677|3.849165|2.888117|3.090826|5.455005|4.488835|6.703850|6.705269|8.817569|17.495420|8.837829|6.751475|5.627007|8.977608|4.641906|7.012937|1.198432|1.130088|1.155081|1.253702|0.042983|0.049412|0.062844|0.083601|0.083159|0.078755|0.079974|0.214006|0.173348|0.500000| |1.436319|1.301129|1.280965|10.048012|1.531223|1.737538|3.248206|2.497559|2.872791|2.232837|3.621678|2.704566|2.793592|4.724916|4.091440|6.629192|5.480589|8.861589|17.549176|8.808134|5.490074|4.841394|6.323147|3.648951|5.551074|1.171072|1.100511|1.114553|1.203581|0.040783|0.048393|0.061858|0.076825|0.080812|0.073033|0.070708|0.212195|0.214958|0.304494|0.500000| |1.291668|1.182291|1.163502|9.014019|1.363066|1.520407|2.819758|2.169692|2.448027|1.934915|3.242316|2.277725|2.474196|4.140300|3.526460|5.721069|4.813925|5.487403|8.819787|17.542919|8.815167|5.487354|5.773772|3.264176|5.049059|1.072731|1.012781|1.030851|1.104118|0.036677|0.042645|0.051381|0.063548|0.065855|0.066299|0.064461|0.123072|0.139294|0.215184|0.211150|0.500000| |1.346221|1.231574|1.221595|9.571171|1.436678|1.610515|2.956415|2.337968|2.666623|2.105140|3.500392|2.497542|2.716315|4.570407|4.192542|7.132710|5.634780|6.778363|8.858659|17.506047|8.856377|6.784473|5.856821|3.374394|5.048704|1.125703|1.054434|1.067230|1.140834|0.037931|0.046177|0.055930|0.068015|0.074053|0.074332|0.068777|0.139189|0.199719|0.173740|0.215179|0.303342|0.500000| |1.427385|1.297291|1.268136|9.814506|1.502338|1.685735|3.143930|2.394015|2.718951|2.227317|3.790892|2.666764|3.090729|5.447709|4.497704|6.721961|6.731991|5.642135|6.757344|8.833528|17.501902|8.831393|9.039944|4.604680|6.908298|1.161222|1.094724|1.124810|1.210227|0.040775|0.047052|0.056124|0.074131|0.074516|0.081930|0.082153|0.126357|0.131251|0.197589|0.138826|0.214722|0.173661|0.500000| |1.336454|1.225540|1.209259|9.380638|1.413139|1.571919|2.886646|2.258071|2.548668|2.066606|3.538776|2.421184|2.787324|4.705145|4.089481|6.637863|5.484895|4.841268|5.490904|8.812276|17.549389|8.861142|6.342034|3.611726|5.458143|1.115679|1.048465|1.070837|1.142347|0.037818|0.044907|0.052311|0.065571|0.068870|0.077013|0.073001|0.106640|0.127381|0.138831|0.123163|0.211254|0.215068|0.304273|0.500000| |1.533507|1.394038|1.386566|10.986776|1.653275|1.871833|3.404954|2.762345|3.210046|2.640725|4.439989|3.205921|3.794198|6.715515|7.090258|12.251211|8.915716|6.840583|5.686602|6.791485|8.833015|17.551642|7.659617|4.508146|6.302173|1.269052|1.176598|1.194811|1.278806|0.043039|0.055047|0.065681|0.083220|0.094413|0.108455|0.093118|0.140377|0.203474|0.131050|0.127488|0.139340|0.200020|0.173416|0.214626|0.500000| |1.589817|1.439961|1.418426|11.133192|1.696945|1.919018|3.523646|2.785005|3.214406|2.725837|4.700258|3.308593|4.199011|7.693985|6.939261|10.211652|8.848224|5.499688|4.835585|5.484052|8.798988|17.556341|9.737472|5.620233|7.763063|1.293349|1.204277|1.235752|1.327359|0.045008|0.055385|0.064835|0.086898|0.092106|0.117565|0.108176|0.123549|0.140487|0.126086|0.106653|0.123075|0.139297|0.214304|0.212218|0.302433|0.500000| |1.717653|1.527546|1.474524|11.485608|1.810873|2.086126|3.999749|2.929937|3.407975|2.863226|4.763279|3.641737|4.254070|8.272240|5.855214|7.700880|8.723682|6.675904|6.309132|5.240578|6.086025|6.399436|26.102082|9.352762|13.101733|1.326873|1.248724|1.291823|1.413945|0.049734|0.056293|0.071088|0.106803|0.098351|0.102935|0.114292|0.176465|0.136595|0.215931|0.133378|0.126159|0.117170|0.204589|0.128739|0.133328|0.165769|0.500000| |4.437816|6.065967|8.946335|42.331326|4.323374|3.289305|5.028050|4.206380|3.461303|2.373853|4.513713|1.999486|1.853215|2.215318|1.518490|2.744203|1.366335|1.308834|1.190000|1.130089|1.165844|1.276654|1.885503|1.525734|2.779379|17.515412|8.809839|6.576009|5.285425|0.100924|0.093820|0.065110|0.053964|0.053080|0.052033|0.052525|0.037781|0.036296|0.032882|0.032101|0.029625|0.031151|0.032199|0.031068|0.035377|0.036136|0.036534|0.500000| |4.335119|5.742761|8.893842|45.330988|4.362394|3.327081|5.079789|4.270790|3.487403|2.313848|4.257965|1.966423|1.788208|2.156883|1.488889|2.697778|1.344045|1.303819|1.186071|1.119789|1.144381|1.248819|1.846682|1.486078|2.695644|17.548507|8.797536|5.501595|4.851216|0.098080|0.093442|0.067027|0.053471|0.052926|0.049864|0.050056|0.037856|0.036259|0.032723|0.032205|0.029379|0.030929|0.031539|0.030418|0.034681|0.035052|0.035850|0.303716|0.500000| |3.583973|4.895177|5.572468|27.261951|3.247611|2.593804|4.188258|3.245667|2.773568|1.915732|3.570173|1.670758|1.557421|1.903237|1.309729|2.346869|1.199823|1.158982|1.067511|1.013971|1.040482|1.124412|1.665335|1.334417|2.445144|8.845244|17.550433|8.805033|5.486629|0.087264|0.069156|0.053673|0.045944|0.044530|0.043205|0.044265|0.033486|0.032011|0.029651|0.028935|0.026781|0.027879|0.028870|0.027772|0.031037|0.031724|0.032610|0.219641|0.206862|0.500000| |4.321993|6.160627|6.679566|30.932488|3.790207|2.948014|4.781959|3.581640|3.019100|2.047092|3.754310|1.782074|1.632737|1.995478|1.368073|2.442443|1.253779|1.218511|1.120366|1.055586|1.077771|1.164036|1.745719|1.402775|2.578996|8.846832|17.522472|8.853416|6.933763|0.103856|0.074602|0.059087|0.049552|0.047505|0.044809|0.046298|0.035474|0.033573|0.031184|0.030447|0.027867|0.028966|0.029941|0.028623|0.032051|0.032685|0.034226|0.174063|0.219572|0.303070|0.500000| |4.598319|6.630951|6.202375|28.983649|3.823500|2.987729|4.868626|3.601125|3.068018|2.180273|4.183934|1.876476|1.767490|2.131528|1.441756|2.557541|1.315443|1.253180|1.150563|1.092548|1.132483|1.229624|1.848786|1.501333|2.787640|6.941001|8.861311|17.516789|8.846422|0.113667|0.076343|0.058325|0.051740|0.048924|0.048793|0.051252|0.036198|0.034336|0.032132|0.030931|0.028797|0.029852|0.031608|0.030163|0.033686|0.034984|0.036155|0.196600|0.140038|0.210919|0.173781|0.500000| |4.027718|5.543891|4.927662|24.234717|3.306672|2.659640|4.462156|3.185231|2.756243|1.943034|3.645143|1.706977|1.600380|1.958845|1.330465|2.350869|1.227021|1.179396|1.090717|1.032991|1.064045|1.145611|1.728557|1.393811|2.593670|5.488751|8.814991|17.550029|8.832191|0.104219|0.065977|0.053478|0.047681|0.044799|0.043792|0.046227|0.034170|0.032253|0.030553|0.029460|0.027349|0.028189|0.029764|0.028323|0.031328|0.032432|0.034037|0.138057|0.123188|0.214884|0.210780|0.303201|0.500000| |6.345086|8.930020|6.103171|29.807800|4.558903|3.512120|6.003764|3.940185|3.336457|2.305916|4.253428|2.005614|1.831786|2.227592|1.496768|2.627506|1.375382|1.327982|1.220509|1.141450|1.170599|1.264058|1.950849|1.588651|2.979705|5.274348|6.567212|8.819443|17.505138|0.167905|0.078760|0.065340|0.057006|0.052269|0.049290|0.052935|0.038924|0.036137|0.034309|0.032996|0.030132|0.031031|0.032810|0.030896|0.034414|0.035603|0.038392|0.120985|0.122444|0.137886|0.195971|0.174151|0.219758|0.500000| |6.738827|8.907223|5.785635|29.195647|4.660272|3.622338|6.202750|4.045016|3.447304|2.462267|4.690359|2.119826|1.970385|2.369190|1.574637|2.751536|1.440624|1.371779|1.257811|1.181648|1.224193|1.328096|2.057473|1.691158|3.198150|4.853538|5.504032|8.810261|17.540519|0.187530|0.081783|0.066068|0.059901|0.054333|0.053129|0.057927|0.040012|0.037193|0.035427|0.033749|0.031137|0.032033|0.034417|0.032346|0.036026|0.037731|0.040386|0.122780|0.108142|0.123206|0.139935|0.219832|0.206702|0.304033|0.500000| 1685.533199 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