Version2.0 2020-02-28T23:05:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(o1)c2nnn(n2)CC(=O)N(c3ccc(cc3)Cl)[C@@H](c4cccs4)C(=O)NCCC(C)C C12480090 RHF 6-31G(d) (6D,7F) Cc1ccc(o1)c2nnn(n2)CC(=O)N(c3ccc(cc3)Cl)[C@@H](c4cccs4)C(=O)NCCC(C)C C01[X(C25H27Cl1N6O3S1)] 183 C1 602 CC(CCNC(=O)[C@@H](N(C(=O)Cn1nnc(n1)c1ccc(o1)C)c1ccc(cc1)Cl)c1cccs1)C CC(CCNC(=O)[C@@H](N(C(=O)Cn1nnc(n1)c1ccc(o1)C)c1ccc(cc1)Cl)c1cccs1)C CC(C)CCNC(=O)[C@@H](N(C(=O)Cn1nnc(n1)c2oc(C)cc2)c3ccc(Cl)cc3)c4sccc4 InChIKey=RXHMZLCKRKHWPM-QHCPKHFHSA-N InChI=1S/C25H27ClN6O3S/c1-16(2)12-13-27-25(34)23(21-5-4-14-36-21)32(19-9-7-18(26)8-10-19)22(33)15-31-29-24(28-30-31)20-11-6-17(3)35-20/h4-11,14,16,23H,12-13,15H2,1-3H3,(H,27,34)/t23-/m0/s1 InChI=1/C25H27ClN6O3S/c1-16(2)12-13-27-25(34)23(21-5-4-14-36-21)32(19-9-7-18(26)8-10-19)22(33)15-31-29-24(28-30-31)20-11-6-17(3)35-20/h4-11,14,16,23H,12-13,15H2,1-3H3,(H,27,34)/t23-/m0/s1/f/h27H Cc1ccc(o1)c2nnn(n2)CC(=O)N(c3ccc(cc3)Cl)[C@@H](c4cccs4)C(=O)NCCC(C)C C01[X(C25H27Cl1N6O3S1)] 183 C01 602 CC(CCNC(=O)[C@@H](N(C(=O)Cn1nnc(n1)c1ccc(o1)C)c1ccc(cc1)Cl)c1cccs1)C CC(CCNC(=O)[C@@H](N(C(=O)Cn1nnc(n1)c1ccc(o1)C)c1ccc(cc1)Cl)c1cccs1)C CC(C)CCNC(=O)[C@@H](N(C(=O)Cn1nnc(n1)c2oc(C)cc2)c3ccc(Cl)cc3)c4sccc4 InChIKey=RXHMZLCKRKHWPM-QHCPKHFHSA-N InChI=1S/C25H27ClN6O3S/c1-16(2)12-13-27-25(34)23(21-5-4-14-36-21)32(19-9-7-18(26)8-10-19)22(33)15-31-29-24(28-30-31)20-11-6-17(3)35-20/h4-11,14,16,23H,12-13,15H2,1-3H3,(H,27,34)/t23-/m0/s1 InChI=1/C25H27ClN6O3S/c1-16(2)12-13-27-25(34)23(21-5-4-14-36-21)32(19-9-7-18(26)8-10-19)22(33)15-31-29-24(28-30-31)20-11-6-17(3)35-20/h4-11,14,16,23H,12-13,15H2,1-3H3,(H,27,34)/t23-/m0/s1/f/h27H 4094.9348301040 -2370.6476175 1-A 26844.0600 138 464 602 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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| 6.0333 12.2942 14.7060 22.7378 23.6082 28.7233 38.0720 42.0699 46.4583 51.7560 60.1086 69.0035 79.9456 88.3873 101.3455 107.9993 111.9456 118.5081 129.2268 150.0631 153.7385 173.8147 195.4351 198.6079 223.2963 243.0151 248.0548 264.4626 266.8079 282.2550 300.5910 318.1836 322.9437 335.0503 342.2060 364.1332 384.0572 404.2235 421.7911 426.5639 436.2173 469.0778 474.4705 482.4360 490.2681 507.5687 538.2035 552.7212 555.2305 582.5741 629.7322 632.7312 645.7537 690.6945 692.0279 701.4175 712.5450 730.9391 752.0422 765.6194 786.2334 803.6304 816.2039 823.4684 832.1978 843.6361 861.7992 866.6318 891.7520 901.1908 912.3211 917.5861 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32.71 33.97 41.33 54.78 60.53 66.84 74.47 86.48 99.28 115.02 127.17 145.81 155.39 161.06 170.51 185.93 215.91 221.20 250.08 281.19 285.75 321.27 349.64 356.90 380.50 383.88 406.10 432.48 457.80 464.64 482.06 492.36 523.91 552.57 581.59 606.86 613.73 627.62 674.90 682.66 694.12 705.39 730.28 774.35 795.24 798.85 838.19 906.04 910.36 929.10 993.76 995.67 1009.18 1025.19 1051.66 1082.02 1101.56 1131.21 1156.24 1174.34 1184.79 1197.35 1213.80 1239.94 1246.89 1283.03 1296.61 1312.63 1320.20 1353.12 1360.26 1387.27 1414.02 1426.39 1455.03 1473.62 1474.58 1500.43 1509.25 1512.78 1526.21 1538.92 1556.10 1565.44 1569.32 1575.38 1603.92 1608.31 1613.08 1631.38 1640.36 1644.77 1653.21 1690.75 1709.22 1712.51 1717.82 1737.69 1745.43 1810.37 1816.84 1853.00 1868.10 1872.82 1874.35 1879.46 1907.30 1912.81 1914.85 1964.66 1971.24 1974.27 2028.19 2040.31 2056.54 2062.00 2078.53 2084.31 2134.12 2161.83 2162.49 2177.10 2204.96 2217.64 2229.42 2239.34 2245.55 2254.53 2260.08 2263.99 2270.30 2299.44 2305.53 2327.97 2333.18 2341.07 2346.40 2356.38 2358.74 2366.54 2374.53 2386.03 2400.62 2404.13 2411.15 2477.25 2531.54 2541.19 2560.18 2594.25 2666.26 2793.73 2802.39 4572.97 4576.00 4595.38 4605.72 4613.18 4620.22 4640.32 4679.66 4690.21 4697.23 4700.98 4707.97 4741.55 4747.94 4748.26 4783.00 4830.84 4868.26 4872.78 4894.27 4899.93 4903.03 4922.03 4948.00 4951.07 4977.42 5574.75 0.535891 0.568856 0.569801 0.462328 -2370.111727 -2370.078761 -2370.077817 -2370.185290 3.604662D-04 MUNgauss RevisionA2.0 retrievium 28-Feb-2020 DUDE Cc1ccc(o1)c2nnn(n2)CC(=O)N(c3ccc(cc3)Cl)[C@@H](c4cccs4)C(=O)NCCC(C)C C12480090 RHF 6-31G(d) (6D,10F) C1 526.155388 |X|Y|Z| 122.967409 97.467536 47.149928 82.675535 25 6 7 8 16 18 5 1 1 |36.858105| |12.792738|36.858105| |7.321382|14.177646|36.858105| |5.143590|8.566030|13.263162|36.858105| |5.346962|8.768155|8.605487|14.200468|36.858105| |7.897770|14.163479|8.645428|8.622525|14.137815|73.516695| |3.964769|5.385451|5.213655|7.474563|13.111047|14.107177|36.858105| |3.174243|4.113957|4.301900|6.197174|7.748955|9.281734|14.141204|53.358707| |2.763803|3.387404|3.403849|4.432421|5.463769|7.555533|9.099929|20.348217|53.358707| |2.946857|3.539869|3.363707|4.174937|5.521858|8.267575|9.403250|12.571533|20.117408|53.358707| |3.680320|4.569806|4.121715|5.114713|7.768875|11.894390|14.631115|11.835026|11.914325|19.775469|53.358707| |2.536316|2.895458|2.721073|3.191588|3.972386|6.453387|5.569332|7.527726|10.805622|18.044946|10.734994|36.858105| |2.403677|2.692048|2.523684|2.894992|3.516897|5.865819|4.599042|6.144500|7.939290|10.631883|8.205021|12.459463|36.858105| |2.495013|2.827034|2.675342|3.094083|3.735190|6.135464|4.832951|6.498482|7.969530|9.677760|8.069903|8.013680|15.910223|73.516695| |2.138115|2.324449|2.170917|2.419012|2.857266|4.918039|3.509191|4.667876|5.703104|7.055272|5.973521|7.726441|13.994420|15.114581|53.358707| |1.981540|2.130556|1.991810|2.199344|2.568308|4.453906|3.103231|4.152295|5.039833|6.109818|5.208817|6.734689|7.784996|9.553719|18.103731|36.858105| |1.784079|1.925576|1.832357|2.032452|2.323554|3.961410|2.790594|3.878654|4.740600|5.381169|4.483766|5.588675|5.836327|7.849284|10.585726|13.736306|36.858105| |1.657909|1.771283|1.687115|1.851190|2.091693|3.597262|2.456945|3.400075|4.040906|4.498034|3.874147|4.348426|4.214558|6.015627|6.976338|7.930229|13.752929|36.858105| |1.681752|1.773239|1.669626|1.807974|2.049737|3.593934|2.369557|3.195060|3.707018|4.208212|3.766174|3.965257|3.776988|5.451248|6.185279|6.902227|7.972444|13.780889|36.858105| |1.841291|1.926110|1.784620|1.918861|2.207170|3.941544|2.545587|3.334501|3.833735|4.514609|4.153162|4.298082|4.161634|5.916451|6.989904|7.920153|6.858762|7.908960|13.769744|36.858105| |2.018360|2.129130|1.959205|2.123233|2.485166|4.435449|2.923253|3.783979|4.418592|5.413103|4.934094|5.489279|5.702363|7.635535|10.641299|13.733292|7.939229|6.875217|7.986406|13.769392|36.858105| |1.511985|1.578871|1.494922|1.601357|1.784544|3.142541|2.014362|2.723969|3.079421|3.393970|3.110719|2.996574|2.822865|4.271838|4.369962|4.231980|4.771716|7.043427|10.939079|7.045911|4.776817|448.794386| |1.990116|2.135171|2.004181|2.199785|2.538226|4.410625|2.992836|3.991903|4.650355|5.388599|4.829988|5.022860|8.000811|12.895793|17.632094|7.481885|5.652499|4.115308|3.701850|4.085295|5.575332|22.318989|36.858105| |2.148259|2.299973|2.140305|2.336156|2.713028|4.768333|3.162670|4.118779|4.673164|5.458400|5.105406|4.783123|7.615125|14.308769|12.656949|5.749189|4.419466|3.421056|3.189551|3.585292|4.789741|19.892873|17.655929|0.500000| |1.809885|1.900221|1.776332|1.911167|2.174246|3.852940|2.484576|3.284760|3.725572|4.253703|3.943990|3.845327|5.143515|8.280210|10.369825|6.515250|5.145778|4.074029|3.831681|4.297610|5.616160|23.381938|12.625306|0.253403|36.858105| |1.831268|1.888276|1.745232|1.846177|2.096686|3.798194|2.340256|3.028285|3.347714|3.836527|3.701051|3.337430|4.228038|7.021050|7.608041|5.032515|4.000348|3.408741|3.406891|3.973302|5.007015|21.667738|7.520859|0.202660|14.114565|36.858105| |1.634657|1.669274|1.551008|1.626965|1.821613|3.305612|2.004149|2.613150|2.862346|3.216587|3.110509|2.751501|3.281159|5.456664|5.640251|4.092985|3.506472|3.174623|3.244624|3.690890|4.238652|21.536216|5.047199|0.132193|8.188505|13.298405|36.858105| |1.512952|1.556919|1.461854|1.543836|1.717038|3.075280|1.901344|2.521991|2.787772|3.088774|2.927189|2.666831|3.139614|5.164612|5.450425|4.140371|3.776186|3.474364|3.464285|3.738769|4.119853|23.098188|4.805474|0.117787|7.699259|8.268638|14.160139|36.858105| |1.566568|1.640304|1.552360|1.666494|1.861872|3.274256|2.107781|2.845228|3.220023|3.557612|3.262735|3.170636|3.868738|6.230221|7.144733|5.410047|5.123356|4.360143|3.990274|4.117062|4.740568|25.068225|6.628088|0.143086|10.969274|7.470797|7.455565|11.071850|388.023441| |1.821168|1.972724|1.893730|2.097995|2.365619|4.012735|2.781936|3.872825|4.527825|4.909182|4.287400|4.357688|6.345006|11.459205|10.525834|5.555497|5.115994|3.786872|3.243280|3.338723|4.147966|20.309414|12.394983|0.246683|7.579693|5.144188|4.020730|4.129987|42.422458|36.858105| |1.707494|1.855679|1.797832|2.002288|2.238456|3.757101|2.645387|3.773412|4.486510|4.741027|4.032492|4.270526|5.650969|9.525456|9.196259|5.619149|5.926866|4.290778|3.469888|3.396606|4.058544|21.680167|7.984886|0.164568|6.028076|4.251081|3.567141|3.854649|41.076480|15.837234|73.516695| |1.789772|1.933342|1.867581|2.055202|2.283148|3.878678|2.622081|3.644346|4.112311|4.342925|3.922820|3.593965|4.940938|9.966768|7.260379|4.057006|3.762212|2.990105|2.647411|2.738753|3.295589|17.272574|7.826995|0.210852|5.826122|4.541195|3.649680|3.652267|33.723962|14.197884|15.066261|53.358707| |1.640583|1.776921|1.745091|1.922793|2.089605|3.509348|2.369635|3.372593|3.754803|3.803767|3.432867|3.042258|3.854445|7.706155|5.398973|3.261442|3.198594|2.637613|2.321658|2.341410|2.708589|15.596995|4.997582|0.134136|4.152652|3.431202|2.955612|3.036069|27.112286|7.796813|12.124510|17.835123|36.858105| |1.563726|1.675049|1.646707|1.786549|1.916119|3.256117|2.114813|2.966854|3.203627|3.243347|3.021235|2.526027|3.097768|6.203060|4.314212|2.676229|2.590797|2.211849|2.000507|2.036240|2.320639|13.745181|3.935311|0.111594|3.518499|3.109673|2.752821|2.778688|23.138764|5.149594|8.006048|10.606431|12.482709|36.858105| |1.436576|1.539599|1.532002|1.659346|1.749738|2.955501|1.909787|2.712526|2.894203|2.867811|2.676585|2.194462|2.579846|5.088083|3.532498|2.265817|2.243660|1.960362|1.775276|1.784026|1.990053|12.442420|3.040676|0.085111|2.773585|2.496326|2.277236|2.323656|18.965134|3.817749|6.406977|6.761208|7.405137|12.401726|36.858105| |1.377767|1.462522|1.455034|1.555401|1.626161|2.774260|1.742263|2.444360|2.562036|2.548928|2.425885|1.926732|2.231383|4.385322|3.050276|1.977917|1.937772|1.720549|1.585365|1.605421|1.777747|11.248653|2.599425|0.074249|2.434028|2.268870|2.100863|2.113484|16.573213|3.067442|5.087543|5.238442|4.883590|7.575084|12.437541|36.858105| |1.316866|1.407026|1.400715|1.515726|1.596308|2.697688|1.746523|2.493185|2.681521|2.653314|2.456045|2.056742|2.374775|4.533873|3.314629|2.190336|2.225309|1.971110|1.771199|1.751568|1.923333|12.536361|2.809618|0.076070|2.636748|2.352947|2.200973|2.308452|18.995035|3.540292|6.291328|5.806667|6.105369|7.464448|12.430002|7.570128|36.858105| |17.554726|8.936949|5.795444|4.481562|4.838994|12.465669|3.781305|4.129548|3.665579|3.966408|4.942063|2.543487|2.373125|4.288886|2.901614|2.006728|1.804610|1.692114|1.734577|1.908957|2.074368|12.585828|1.963666|0.058382|1.801598|1.828642|1.640737|1.518847|11.135313|1.782397|2.986100|2.359122|1.583117|1.501735|1.377891|1.317788|1.272268|0.500000| |17.554900|8.937671|5.796015|4.481882|4.839408|12.465656|3.781605|4.127352|3.664174|3.964995|4.943649|2.548270|2.476802|4.614078|3.016412|2.031740|1.810773|1.672851|1.698773|1.874357|2.074041|12.188605|2.088515|0.063447|1.903891|1.946668|1.728997|1.584943|11.595288|1.895045|3.124514|2.551808|1.705901|1.636058|1.492818|1.437601|1.360418|0.301726|0.500000| |17.597770|8.985108|6.844751|4.623761|4.438017|10.216301|3.376666|3.841602|3.352827|3.498971|4.218891|2.236917|2.132510|3.943606|2.606501|1.784264|1.624646|1.518502|1.536937|1.667706|1.811001|11.200573|1.800188|0.053708|1.648757|1.667827|1.502874|1.397654|10.261820|1.667232|2.792081|2.244665|1.527945|1.467311|1.360063|1.312518|1.249016|0.300543|0.300535|0.500000| |6.327907|8.823891|17.798647|8.458391|5.857192|10.465046|4.079571|4.868563|3.965087|3.875042|4.563248|2.367106|2.219115|4.174920|2.639994|1.792353|1.663942|1.543115|1.527639|1.622768|1.765035|11.091035|1.811089|0.053512|1.621791|1.597876|1.433241|1.354992|10.181889|1.726454|2.925375|2.332528|1.617610|1.540216|1.446304|1.383680|1.325572|0.141291|0.141307|0.190011|0.500000| |4.032299|5.836309|8.430980|17.810879|8.844703|10.453911|6.467751|8.676865|6.083210|5.382390|6.125480|3.046597|2.765407|5.271930|3.151269|2.111617|1.983287|1.808414|1.748412|1.831121|2.013735|12.484631|2.114528|0.061790|1.834026|1.755658|1.554570|1.488051|11.500237|2.056534|3.524753|2.751411|1.920048|1.781053|1.672164|1.563003|1.531014|0.100222|0.100232|0.105017|0.192700|0.500000| |2.587339|2.892807|2.658949|3.036835|3.794644|6.454904|5.043842|6.372759|8.153202|12.661353|9.972472|17.670534|8.770894|10.757191|9.590114|7.090837|5.548381|4.568017|4.445433|5.101300|6.601604|26.535000|4.626262|0.122703|3.784413|3.390119|2.822653|2.708629|22.276499|3.830860|6.646721|4.338441|2.698480|2.292201|1.999104|1.779294|1.887083|0.073548|0.072166|0.062974|0.064321|0.079158|0.500000| |2.267725|2.578930|2.478849|2.910695|3.479049|5.569342|4.712250|6.940480|10.306688|12.685739|7.990001|17.639585|8.861838|11.297370|9.111796|6.542636|6.308328|4.883271|4.194071|4.242106|5.087710|25.446494|4.566202|0.115623|3.594064|3.061047|2.592284|2.582216|22.265496|4.257502|7.929291|4.715200|3.025323|2.478107|2.184372|1.899846|2.081656|0.063238|0.062719|0.056419|0.060790|0.079164|0.301660|0.500000| |1.731518|1.883846|1.814368|2.029182|2.297113|3.856098|2.769554|3.955493|4.887706|5.322215|4.346175|5.333842|5.794517|8.151946|9.750538|8.949713|17.757998|8.901973|5.658442|4.948313|5.657235|31.568777|5.662506|0.122019|4.869177|3.707463|3.247838|3.535488|35.259219|5.847603|13.625494|5.689850|3.632241|2.841125|2.465537|2.087080|2.465673|0.048232|0.048758|0.044012|0.045898|0.055610|0.135739|0.175213|0.500000| |1.540547|1.647371|1.584491|1.738869|1.938507|3.310925|2.257656|3.173578|3.741610|4.028292|3.475242|3.724972|3.586756|5.318024|5.654527|5.641246|8.906019|17.752751|8.927172|5.638893|4.955954|53.828261|3.515488|0.082584|3.477681|2.945189|2.802083|3.110471|27.459113|3.415292|7.063801|3.760001|2.514182|2.116459|1.907477|1.671906|1.946314|0.043585|0.042996|0.039469|0.040512|0.047600|0.105665|0.118688|0.213918|0.500000| |1.827623|1.885407|1.735361|1.841846|2.109317|3.825330|2.383605|3.081785|3.462862|4.051142|3.850767|3.670958|3.530258|5.198967|5.667892|5.635338|4.947416|5.638417|8.919964|17.753140|8.902097|53.844177|3.482222|0.088012|3.728666|3.647803|3.496866|3.461432|25.388868|2.873790|5.119203|3.310492|2.100619|1.862301|1.643172|1.496418|1.610968|0.053103|0.051704|0.046042|0.043987|0.048574|0.121527|0.098939|0.107493|0.124197|0.500000| |2.176776|2.270523|2.055297|2.202823|2.604010|4.757084|3.021333|3.792879|4.324939|5.396935|5.176737|5.205021|5.577636|7.750107|9.814762|8.934603|5.652362|4.954494|5.666576|8.926482|17.734142|31.612327|5.507181|0.141437|5.602802|5.487363|4.472644|4.053935|31.017599|3.928753|6.519009|4.404041|2.630840|2.297637|1.959461|1.770541|1.869028|0.062333|0.062828|0.053815|0.051226|0.057297|0.176875|0.125853|0.124522|0.107597|0.214428|0.500000| |1.993324|2.041307|1.865334|1.959392|2.241162|4.119937|2.479006|3.145970|3.430996|3.977124|3.943597|3.379858|4.285370|7.316912|7.230896|4.569671|3.576055|3.064668|3.101975|3.679418|4.675538|20.011037|6.767847|0.213170|8.922731|17.725159|8.599397|5.744587|37.736679|4.626741|6.709610|5.820143|3.247326|3.003751|2.418710|2.229894|2.235232|0.055158|0.059558|0.050124|0.047260|0.051271|0.095956|0.083823|0.092345|0.073883|0.096004|0.151919|0.500000| |1.599112|1.614417|1.494881|1.552195|1.729201|3.168889|1.875561|2.428856|2.625835|2.938958|2.888246|2.462231|2.862123|4.820586|4.712632|3.433991|2.980568|2.769335|2.887713|3.294044|3.662850|19.836606|4.037954|0.110267|5.710679|8.589370|17.750663|8.902475|37.697194|3.319238|5.295120|4.233043|2.591239|2.475538|2.083938|1.959654|2.010362|0.044690|0.047155|0.040969|0.038528|0.041081|0.070731|0.064273|0.076829|0.068750|0.089784|0.109715|0.201617|0.500000| |1.399630|1.435050|1.352865|1.423258|1.570046|2.811136|1.725287|2.298448|2.524896|2.765683|2.627263|2.356046|2.696419|4.462942|4.522469|3.503549|3.331082|3.193752|3.212990|3.368587|3.528818|22.411831|3.820922|0.095316|5.414116|5.699675|8.771359|17.783708|55.517623|3.456357|5.925537|4.254674|2.708016|2.519426|2.159444|1.983479|2.181518|0.039102|0.040586|0.036114|0.035015|0.038229|0.066600|0.064119|0.087321|0.081521|0.088422|0.095485|0.122696|0.203473|0.500000| |1.902842|2.049293|1.966308|2.150872|2.399206|4.114645|2.727375|3.716031|4.113351|4.397216|4.083237|3.550418|4.925130|10.506683|6.978448|3.821905|3.413113|2.756392|2.503981|2.647370|3.212470|16.435712|7.512137|0.243146|5.613751|4.702224|3.673527|3.508563|30.330945|9.497358|10.936335|26.059375|9.050829|7.296940|4.667504|3.837910|3.828949|0.050880|0.055918|0.048560|0.049998|0.058279|0.088205|0.092110|0.101685|0.070192|0.066176|0.090338|0.129731|0.088383|0.083098|0.500000| |1.531859|1.652923|1.624596|1.786242|1.935836|3.255367|2.195567|3.140162|3.522278|3.561912|3.188509|2.897104|3.572656|6.782311|5.171219|3.264950|3.325653|2.765129|2.396538|2.369885|2.696379|16.171068|4.674677|0.118692|4.091859|3.323876|2.950376|3.142463|28.933864|7.346548|13.392792|12.646631|17.658343|8.788880|6.597286|4.424306|6.645612|0.041335|0.044015|0.039725|0.041962|0.049668|0.072087|0.081857|0.107067|0.074312|0.058775|0.071432|0.085028|0.071406|0.078857|0.181157|0.500000| |1.691525|1.854968|1.841282|2.054892|2.221850|3.668610|2.540107|3.696131|4.125660|4.064853|3.621012|3.177399|3.952933|8.129754|5.231144|3.156155|3.125952|2.578570|2.258407|2.265636|2.611658|15.223939|4.506167|0.122456|3.627143|3.038695|2.618430|2.669241|23.507010|6.652152|11.088603|12.387877|17.526987|8.819025|6.850828|4.576300|5.571686|0.045137|0.048580|0.043795|0.047355|0.057577|0.076688|0.088632|0.099747|0.068697|0.056459|0.070281|0.081362|0.064523|0.066693|0.202807|0.303180|0.500000| |1.666877|1.785963|1.752704|1.896148|2.034027|3.467686|2.227715|3.094019|3.296414|3.348828|3.168171|2.562616|3.160993|6.528085|4.299051|2.620588|2.480776|2.118010|1.939508|2.001251|2.298847|13.317757|3.904908|0.116528|3.428934|3.113801|2.708818|2.655877|21.554044|4.799512|7.186550|9.852128|8.904024|17.490068|8.885703|7.156786|5.483180|0.044160|0.048770|0.043406|0.045483|0.052292|0.064576|0.068610|0.074416|0.055826|0.051146|0.064208|0.086087|0.068403|0.066485|0.221878|0.173722|0.209523|0.500000| |1.501217|1.591590|1.553501|1.669879|1.795166|3.086537|1.969908|2.731270|2.946968|3.025025|2.839556|2.384746|2.915056|5.682304|4.193118|2.644860|2.551544|2.199488|2.005859|2.047767|2.322880|13.831686|3.911330|0.110011|3.708909|3.326674|3.005171|3.052698|24.969082|4.926729|7.626876|9.619804|8.885681|17.511971|8.815099|6.850539|6.826000|0.040245|0.043752|0.039145|0.040430|0.045967|0.061099|0.064823|0.076700|0.058363|0.052237|0.064061|0.087933|0.075004|0.077078|0.185653|0.213716|0.173580|0.303249|0.500000| |1.478470|1.598618|1.604607|1.751945|1.836395|3.067352|2.008466|2.889949|3.072681|2.993939|2.781102|2.257423|2.628273|5.252095|3.507649|2.241093|2.226987|1.941732|1.752181|1.756727|1.960103|12.281442|2.941213|0.082611|2.614953|2.346168|2.121633|2.154207|17.664544|3.686353|6.272065|6.363419|6.898394|8.911172|17.493597|8.931830|8.915061|0.039237|0.042505|0.038925|0.042093|0.049437|0.056543|0.062673|0.068380|0.052604|0.044892|0.053527|0.063702|0.054026|0.055539|0.122855|0.166016|0.209517|0.213488|0.174007|0.500000| |1.331027|1.402009|1.386008|1.472123|1.544541|2.657732|1.650952|2.296565|2.411256|2.424133|2.316495|1.848797|2.142955|4.157027|2.980112|1.948602|1.904625|1.701079|1.576351|1.599493|1.765269|11.220323|2.566489|0.073102|2.469732|2.329022|2.188893|2.207065|17.029987|2.982359|4.927450|5.038526|4.487409|6.838804|8.768960|17.524037|6.834844|0.035500|0.038674|0.035215|0.036625|0.040870|0.047869|0.050533|0.056556|0.045868|0.041550|0.048937|0.063231|0.056972|0.057877|0.102708|0.116540|0.111590|0.175366|0.202730|0.173649|0.500000| |1.302570|1.382670|1.384118|1.477613|1.531773|2.606236|1.632508|2.302654|2.400791|2.367905|2.254749|1.778247|2.023192|3.942873|2.750418|1.807588|1.787111|1.602964|1.478505|1.488563|1.632762|10.589612|2.293862|0.065028|2.156273|2.016127|1.885419|1.906134|14.871753|2.677897|4.542050|4.399865|4.032126|5.492301|8.768630|17.548229|6.929781|0.034615|0.037587|0.034636|0.036756|0.041469|0.045721|0.049019|0.053461|0.043577|0.038660|0.045033|0.055033|0.049141|0.050163|0.088712|0.105248|0.109122|0.144325|0.139963|0.213534|0.301644|0.500000| |1.452284|1.541452|1.533718|1.634788|1.705762|2.915910|1.814864|2.530832|2.627008|2.616303|2.515098|1.955303|2.269606|4.528172|3.062581|1.965382|1.900555|1.683287|1.561192|1.594742|1.775902|11.053167|2.604111|0.076026|2.412195|2.275796|2.083875|2.060944|16.006330|3.006670|4.887561|5.169482|4.586401|6.923372|8.751250|17.542676|5.487691|0.038368|0.042283|0.038453|0.040531|0.045536|0.050132|0.053017|0.056444|0.045151|0.041419|0.049567|0.063147|0.054292|0.053391|0.109684|0.110612|0.122355|0.216478|0.169237|0.213378|0.301395|0.301681|0.500000| |1.334207|1.432862|1.427880|1.556406|1.645161|2.763078|1.819471|2.622189|2.855929|2.812569|2.566783|2.200934|2.538057|4.799001|3.551348|2.358142|2.439485|2.147828|1.900666|1.859340|2.039911|13.385459|2.980648|0.078929|2.762287|2.410690|2.245165|2.385205|20.198642|3.881414|7.207404|6.160566|6.704574|6.692847|8.709530|5.482313|17.566113|0.035907|0.038131|0.035060|0.037416|0.043785|0.055706|0.062685|0.076506|0.059322|0.047120|0.054435|0.063013|0.056409|0.062473|0.108240|0.228038|0.174775|0.137709|0.165990|0.213577|0.139000|0.141767|0.122327|0.500000| |1.249159|1.333422|1.334774|1.440520|1.503754|2.538251|1.632403|2.337183|2.491403|2.445186|2.274322|1.874866|2.123971|4.040937|2.935103|1.962739|2.001864|1.797157|1.623987|1.601339|1.741633|11.631763|2.432063|0.066185|2.293181|2.075106|1.958319|2.047218|16.551194|2.970885|5.326189|4.715094|4.631986|5.454910|8.787091|7.003820|17.547804|0.033499|0.035742|0.033072|0.035276|0.040600|0.047973|0.052858|0.061245|0.049611|0.041149|0.047066|0.055149|0.050219|0.054267|0.088499|0.136550|0.124598|0.123312|0.140224|0.212129|0.172028|0.211372|0.142176|0.302693|0.500000| |1.276085|1.353604|1.339354|1.439842|1.521363|2.593357|1.659219|2.345043|2.522471|2.525967|2.351053|1.975761|2.285155|4.307407|3.253257|2.171069|2.200376|1.963146|1.774918|1.757809|1.922510|12.605716|2.793925|0.075306|2.707953|2.436094|2.318492|2.455187|19.954296|3.458497|6.102393|5.605612|5.480920|6.805183|8.769726|6.785836|17.521570|0.034364|0.036710|0.033612|0.035221|0.040171|0.050890|0.055345|0.067059|0.053784|0.045043|0.051963|0.063671|0.058894|0.064977|0.103119|0.170580|0.130732|0.140535|0.203691|0.173532|0.200438|0.168119|0.138951|0.301466|0.301631|0.500000| 2368.431775 -13767.623496 5190.392640 -256.783722 -6465.582804 4094.935125 -2370.647679 2.000936 40C3A40000000011 457A2BA6707B9B83 44F8462B12FFA2CB 41D5544260000004 B7D16C2614EA0801 441727F8580010B6