Version2.0 2020-01-06T19:51:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(C)(C)[C@H]1CCc2c(sc(c2C(=O)OC)NC(=O)c3cc(nc4c3cccc4)c5ccco5)C1 C02084528 RHF 6-31G(d) (6D,7F) CCC(C)(C)[C@H]1CCc2c(sc(c2C(=O)OC)NC(=O)c3cc(nc4c3cccc4)c5ccco5)C1 C01[X(C29H30N2O4S1)] 192 C1 604 COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccco2)sc2c1CC[C@@H](C2)C(CC)(C)C COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccco2)sc2c1CC[C@@H](C2)C(CC)(C)C CCC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)c3cc(nc4ccccc34)c5occc5)c2C(=O)OC InChIKey=ZLCYWZQMOMPBFU-KRWDZBQOSA-N InChI=1S/C29H30N2O4S/c1-5-29(2,3)17-12-13-19-24(15-17)36-27(25(19)28(33)34-4)31-26(32)20-16-22(23-11-8-14-35-23)30-21-10-7-6-9-18(20)21/h6-11,14,16-17H,5,12-13,15H2,1-4H3,(H,31,32)/t17-/m0/s1 InChI=1/C29H30N2O4S/c1-5-29(2,3)17-12-13-19-24(15-17)36-27(25(19)28(33)34-4)31-26(32)20-16-22(23-11-8-14-35-23)30-21-10-7-6-9-18(20)21/h6-11,14,16-17H,5,12-13,15H2,1-4H3,(H,31,32)/t17-/m0/s1/f/h31H CCC(C)(C)[C@H]1CCc2c(sc(c2C(=O)OC)NC(=O)c3cc(nc4c3cccc4)c5ccco5)C1 C01[X(C29H30N2O4S1)] 192 C01 604 COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccco2)sc2c1CC[C@@H](C2)C(CC)(C)C COC(=O)[C@@H]1[C@@H](SC2=C1CC[C@@H](C2)C(CC)(C)C)NC(=O)c1cc(nc2c1cccc2)c1ccco1 CCC(C)(C)[C@H]1CCC2=C(C1)S[C@@H](NC(=O)c3cc(nc4ccccc34)c5occc5)[C@H]2C(=O)OC InChIKey=SRWBEHMJHSHKOU-VRKGNZAUSA-N InChI=1S/C29H32N2O4S/c1-5-29(2,3)17-12-13-19-24(15-17)36-27(25(19)28(33)34-4)31-26(32)20-16-22(23-11-8-14-35-23)30-21-10-7-6-9-18(20)21/h6-11,14,16-17,25,27H,5,12-13,15H2,1-4H3,(H,31,32)/t17-,25-,27+/m0/s1 InChI=1/C29H32N2O4S/c1-5-29(2,3)17-12-13-19-24(15-17)36-27(25(19)28(33)34-4)31-26(32)20-16-22(23-11-8-14-35-23)30-21-10-7-6-9-18(20)21/h6-11,14,16-17,25,27H,5,12-13,15H2,1-4H3,(H,31,32)/t17-,25-,27+/m0/s1/f/h31H 3864.3797456474 -1921.5407198 1-A 27622.0486 133 471 604 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14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 10046.8569 41181.6853 47403.9182 0.99999 0.00281 -0.00443 -0.00284 0.99998 -0.00596 0.00441 0.00597 0.99997 1 0.00862 0.00210 0.00183 0.17963 0.04382 0.03807 16.41 23.57 43.64 57.12 63.28 75.86 85.54 106.70 110.30 122.00 155.34 161.02 172.86 184.40 211.20 219.11 235.17 252.33 266.69 286.09 290.84 305.75 327.29 338.84 375.43 384.21 409.86 428.56 437.58 450.08 466.74 484.45 512.14 523.50 535.39 551.99 563.48 572.52 580.62 592.21 609.19 645.06 684.76 700.31 777.21 812.61 817.87 820.38 840.54 855.29 889.28 904.52 928.31 944.17 947.15 1009.49 1019.99 1042.31 1090.93 1126.77 1135.40 1153.02 1193.12 1222.43 1233.39 1242.78 1254.16 1254.69 1269.30 1270.66 1283.33 1286.22 1317.10 1325.95 1388.42 1398.86 1412.30 1417.40 1423.59 1442.70 1460.94 1462.12 1479.27 1491.86 1496.86 1524.13 1539.13 1571.68 1574.74 1584.00 1589.75 1590.62 1603.69 1620.39 1626.90 1655.78 1667.47 1680.93 1682.15 1732.28 1738.12 1747.74 1786.50 1802.42 1818.32 1846.43 1864.43 1865.83 1882.86 1888.08 1923.92 1938.80 1941.59 1946.28 1970.56 1977.09 1989.39 2004.22 2009.25 2021.58 2044.24 2077.33 2096.75 2115.00 2135.50 2140.79 2149.76 2156.54 2181.17 2195.16 2234.77 2235.75 2241.03 2247.07 2256.78 2262.09 2276.28 2305.26 2343.91 2350.38 2350.61 2353.60 2354.15 2358.46 2362.70 2366.15 2371.98 2374.85 2378.46 2387.32 2394.57 2401.58 2410.51 2429.93 2506.04 2560.64 2579.37 2591.98 2609.60 2630.66 2766.89 2823.59 4564.12 4588.67 4604.99 4613.16 4614.65 4617.97 4622.24 4632.32 4654.93 4683.94 4689.55 4692.60 4696.27 4703.98 4711.53 4713.21 4717.87 4727.36 4737.44 4804.98 4823.82 4841.97 4866.35 4894.46 4919.13 4940.18 4952.22 4990.18 5011.84 5463.21 0.580276 0.611309 0.612253 0.515416 -1920.960444 -1920.929411 -1920.928466 -1921.025303 3.247929D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2020 DUDE CCC(C)(C)[C@H]1CCc2c(sc(c2C(=O)OC)NC(=O)c3cc(nc4c3cccc4)c5ccco5)C1 C02084528 RHF 6-31G(d) (6D,10F) C1 502.192629 |X|Y|Z| 67.857657 35.394345 147.528319 70.762426 26 6 7 8 16 22 2 1 1 |36.858105| |12.431288|36.858105| |7.238081|12.279488|36.858105| |6.339696|7.562784|12.369138|36.858105| |5.952221|7.529075|12.379113|7.613037|36.858105| |4.822055|7.517111|12.169685|7.554391|7.417876|36.858105| |4.600931|6.834315|8.904151|7.314587|5.498153|17.483738|0.500000| |3.642497|4.836883|7.291379|6.056959|6.287284|12.381271|0.248130|36.858105| |2.942708|3.750437|4.818128|4.335429|4.206266|7.474343|0.198377|12.436590|36.858105| |2.833090|3.653751|4.290345|3.638783|3.772355|6.582694|0.176144|7.595080|12.615397|36.858105| |3.220803|4.344870|4.852073|3.794858|4.197230|7.604881|0.191221|6.870578|7.693786|14.220637|36.858105| |2.712527|3.438533|3.512702|2.878772|3.187000|4.607361|0.123208|4.230552|4.735731|7.397146|10.930120|388.023441| |2.291841|2.807219|2.983747|2.587730|2.737039|3.889093|0.107382|3.966170|5.013672|8.122516|7.686583|78.390298|36.858105| |2.358198|2.907010|3.239597|2.860301|2.944002|4.400440|0.122322|4.875926|7.164713|13.072035|8.203600|52.612815|13.909263|36.858105| |2.051087|2.446567|2.731568|2.524223|2.521560|3.510557|0.099249|4.027935|5.840227|7.265880|5.102101|34.019911|7.721850|12.965770|36.858105| |1.834442|2.147613|2.344260|2.181108|2.191553|2.899145|0.081913|3.219785|4.268858|5.125402|4.065953|29.735044|6.676644|8.050178|15.833592|73.516695| |2.066246|2.447671|2.807488|2.676687|2.585992|3.587715|0.102331|4.355499|6.653272|6.592390|4.536645|27.684304|5.287371|8.140122|14.444079|15.375774|73.516695| |1.814017|2.093333|2.367942|2.315097|2.214071|2.878198|0.082263|3.408236|4.615566|4.423283|3.391894|21.754888|3.970449|5.212403|8.153071|12.982189|23.883867|36.858105| |1.983732|2.355419|2.457186|2.182540|2.291522|3.036967|0.084551|3.096025|3.763183|5.186588|4.963798|49.489410|13.808040|7.812241|6.539405|12.556563|8.028735|3.706369|53.358707| |1.882968|2.203340|2.237535|1.984044|2.104493|2.674956|0.074235|2.648245|3.050909|3.984299|4.105192|43.072660|7.792523|5.137121|4.457419|8.569642|6.069362|2.944930|19.024857|36.858105| |1.991490|2.336540|2.322782|2.027181|2.186735|2.747738|0.075655|2.639112|2.936684|3.826606|4.226321|48.268612|6.733384|4.538743|3.762135|6.845661|5.357317|2.590837|11.521415|15.917524|73.516695| |1.641679|1.880087|1.908740|1.728376|1.810408|2.226465|0.062130|2.230681|2.549032|3.136149|3.131064|29.159161|5.091190|3.937936|3.786841|7.760166|5.345417|2.734774|10.751121|12.651536|14.252541|36.858105| 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|1.213066|1.338210|1.362984|1.296186|1.293207|1.529853|0.043595|1.554994|1.751824|1.945889|1.864097|14.856690|2.436548|2.272066|2.447486|5.058547|3.881718|2.220588|3.956029|3.036966|4.706344|3.841757|5.007841|7.412030|8.750761|4.414416|3.657430|2.894445|2.682532|2.943453|3.707947|14.163957|36.858105| |1.191323|1.310140|1.337601|1.284883|1.262616|1.498550|0.043024|1.526167|1.723548|1.886918|1.791425|13.970534|2.287076|2.183881|2.385537|4.888589|3.862207|2.248982|3.610207|2.684265|4.202012|3.206736|4.094202|5.184522|6.003664|3.365554|2.968835|2.435204|2.255941|2.416981|2.905130|8.579525|13.277302|36.858105| |1.283130|1.420786|1.455312|1.399529|1.361866|1.646998|0.047651|1.678934|1.922109|2.114416|1.986436|15.443622|2.579431|2.479897|2.748516|5.695411|4.422216|2.577811|4.080830|2.959427|4.562646|3.469083|4.604584|5.375321|5.732463|3.300267|3.049672|2.485031|2.246908|2.342402|2.768035|8.784235|8.606091|14.207042|36.858105| |1.380386|1.543451|1.581028|1.503433|1.477077|1.810295|0.052253|1.842420|2.130230|2.401742|2.258253|18.006767|3.091348|2.895516|3.196669|6.805686|4.952302|2.815291|5.114230|3.735665|5.557895|4.572435|6.781874|7.902055|7.273732|4.059164|3.807531|2.970487|2.607405|2.684715|3.216227|14.108717|8.622164|8.630264|14.205831|73.516695| |4.274187|6.476281|7.291048|4.864050|5.853504|12.358736|0.249162|7.666795|6.321116|7.478059|12.641594|47.990587|4.821049|5.031702|3.710099|5.506021|6.279470|2.802454|4.910340|3.206577|6.046002|2.565505|2.369924|2.013919|2.546104|1.959243|2.271586|2.301281|2.009702|1.782881|1.765219|1.847760|1.634932|1.579923|1.732805|3.437518|36.858105| |17.546265|8.846575|5.378685|4.734623|4.633610|4.067019|0.110198|3.137600|2.637458|2.611749|2.996948|18.697115|2.201641|2.222377|1.935005|3.109538|3.425178|1.700700|2.624512|1.856239|3.523305|1.623001|1.541853|1.385101|1.792528|1.364401|1.510224|1.541608|1.416913|1.293980|1.273808|1.308774|1.199751|1.176101|1.263295|2.415519|3.868051|0.500000| |17.561430|8.700896|6.566172|5.768447|6.528435|4.359991|0.110911|3.484057|2.783913|2.658085|2.990164|18.023155|2.160838|2.226446|1.951079|3.113656|3.503524|1.740876|2.561023|1.789150|3.358011|1.568040|1.488638|1.339989|1.737751|1.323889|1.463463|1.497728|1.380765|1.261288|1.239336|1.266362|1.162924|1.139833|1.222189|2.333789|3.908142|0.302889|0.500000| |17.575310|8.710263|6.417857|6.884062|5.120964|4.443901|0.123646|3.474226|2.846451|2.680922|2.956600|17.694264|2.159581|2.248476|1.987376|3.163006|3.603402|1.795206|2.560692|1.777648|3.308073|1.563711|1.503771|1.353258|1.740734|1.313261|1.444913|1.458501|1.339120|1.231952|1.221935|1.290448|1.184927|1.170702|1.262921|2.401637|3.763905|0.302962|0.301723|0.500000| |8.943238|17.551124|8.812706|5.515587|7.068048|6.753609|0.161656|4.535461|3.608143|3.692904|4.614260|26.813688|2.945026|2.967179|2.456165|3.856871|4.279950|2.051813|3.357977|2.335962|4.481249|1.972981|1.841882|1.620475|2.086603|1.603623|1.812805|1.862069|1.680924|1.509527|1.481029|1.507707|1.363076|1.324466|1.431277|2.780273|7.174432|0.220357|0.208501|0.173586|0.500000| |8.922298|17.503341|8.823891|6.721702|5.511774|7.251681|0.215310|4.609432|3.797213|3.776051|4.494720|25.579092|2.935103|3.026479|2.538650|3.959764|4.494381|2.155479|3.346677|2.298042|4.330881|1.955316|1.863261|1.638147|2.084103|1.578470|1.769845|1.779673|1.600228|1.454105|1.446002|1.544008|1.394929|1.370216|1.494277|2.888791|6.390379|0.214285|0.172988|0.213663|0.304366|0.500000| |7.021374|6.790309|8.738118|17.574602|7.033648|5.470929|0.145507|4.642661|3.508937|3.039013|3.186700|17.986248|2.275953|2.472106|2.212318|3.455727|4.145512|2.057024|2.661973|1.801845|3.285564|1.585798|1.533379|1.377438|1.764009|1.325393|1.456727|1.461585|1.338295|1.233977|1.228951|1.317912|1.208781|1.198275|1.297384|2.464981|4.001747|0.140466|0.189496|0.229739|0.141138|0.160661|0.500000| |4.707559|5.472759|8.699360|17.585923|6.810376|6.923263|0.183262|6.802212|4.754541|3.731797|3.699527|19.785510|2.584385|2.929199|2.636081|4.018201|5.100373|2.490096|2.969322|1.960362|3.515744|1.717149|1.669548|1.489555|1.892516|1.415683|1.559601|1.551029|1.409404|1.300148|1.302462|1.427511|1.302473|1.294412|1.411405|2.689507|4.472239|0.104060|0.125531|0.139065|0.122730|0.139630|0.304132|0.500000| |5.939853|6.988658|8.730992|17.528112|5.503713|6.824512|0.218067|5.329416|4.189353|3.583496|3.712522|20.352076|2.591622|2.858237|2.536110|3.905029|4.780382|2.332946|2.987505|1.996234|3.618357|1.742880|1.699719|1.512755|1.914980|1.429038|1.575404|1.560929|1.414302|1.305201|1.310725|1.452617|1.323185|1.318152|1.442407|2.748830|4.596215|0.129764|0.139583|0.191824|0.141010|0.202314|0.301774|0.301909|0.500000| |5.264473|6.770385|8.696102|5.492845|17.550510|6.756574|0.138142|5.759675|4.073489|3.877469|4.508567|24.792432|2.899775|3.048263|2.563698|3.981519|4.569248|2.188548|3.293024|2.239188|4.186085|1.908252|1.776308|1.571162|2.034973|1.569119|1.769227|1.829531|1.662719|1.492727|1.457910|1.459766|1.324167|1.283640|1.380533|2.677291|6.437137|0.122060|0.159735|0.121358|0.208581|0.141505|0.141737|0.139698|0.122273|0.500000| |4.577340|5.462911|8.722854|6.979224|17.568180|6.686505|0.140867|6.983737|4.498270|3.812504|4.009146|21.506733|2.701120|2.978114|2.599871|3.994402|4.838490|2.338640|3.086109|2.058429|3.747640|1.783472|1.690634|1.505140|1.938611|1.476629|1.644827|1.674390|1.526558|1.388759|1.369822|1.416351|1.290300|1.262394|1.361831|2.619756|5.136013|0.103144|0.137427|0.116978|0.142191|0.122896|0.176677|0.204701|0.140773|0.301792|0.500000| |6.662694|6.920734|8.755654|6.896698|17.569003|5.419992|0.123367|4.700028|3.421406|3.113992|3.425931|19.522374|2.380940|2.525633|2.207266|3.465635|4.024004|1.977653|2.773359|1.896977|3.512579|1.652971|1.563891|1.401308|1.815226|1.385779|1.538440|1.576238|1.447822|1.317961|1.294208|1.319596|1.207898|1.181286|1.268348|2.431006|4.534033|0.140128|0.234360|0.158189|0.177362|0.139848|0.209723|0.166460|0.141521|0.302669|0.303646|0.500000| |3.568583|4.478466|6.865174|6.880797|6.058112|8.728634|0.206333|17.585270|8.917426|5.559110|4.982161|24.364194|3.304080|4.008203|3.549026|5.158142|7.100839|3.274420|3.656222|2.326928|4.099701|2.005999|1.942920|1.707962|2.153982|1.614004|1.796993|1.778398|1.595602|1.462913|1.469644|1.623859|1.465281|1.448943|1.590498|3.067460|5.526807|0.084195|0.095874|0.097807|0.112044|0.117939|0.144418|0.252809|0.162746|0.142578|0.202236|0.131700|0.500000| |3.454218|4.461942|6.447765|5.114733|6.755575|8.831544|0.174794|17.529835|8.891270|6.704848|6.409707|29.632605|3.858418|4.596499|3.807800|5.520488|7.131716|3.200486|4.146288|2.631024|4.687582|2.217379|2.093038|1.821159|2.314199|1.762695|1.995404|2.008650|1.790535|1.616043|1.605813|1.697756|1.522030|1.482833|1.617987|3.161313|7.156283|0.083346|0.094992|0.089500|0.122298|0.113273|0.116778|0.156378|0.121359|0.185514|0.223001|0.136878|0.303986|0.500000| |2.866873|3.585553|4.481544|4.347317|3.749408|6.541561|0.201972|8.801428|17.526904|8.911975|6.125872|29.626600|4.501512|6.254644|5.607224|7.406405|12.159647|4.875277|4.785631|2.873849|4.883244|2.445551|2.424056|2.079742|2.551452|1.881980|2.106880|2.021358|1.775510|1.634146|1.672382|1.988646|1.760958|1.754004|1.973275|3.855895|5.281782|0.071604|0.074244|0.078901|0.093176|0.104231|0.097168|0.133299|0.122975|0.098190|0.109748|0.087437|0.219813|0.174292|0.500000| |2.593557|3.178510|4.010572|3.723827|3.752628|5.489345|0.142927|8.867011|17.600955|8.903450|5.852795|29.192519|4.598376|6.596541|6.130757|7.962023|13.642183|5.320013|4.915122|2.917771|4.908623|2.490092|2.425120|2.088754|2.593476|1.934394|2.174418|2.111321|1.859176|1.701856|1.728812|1.971875|1.749714|1.721780|1.912453|3.752390|4.888465|0.064979|0.069496|0.069974|0.085815|0.087827|0.086811|0.116192|0.098504|0.101771|0.115500|0.086666|0.211608|0.221299|0.305275|0.500000| |1.704136|1.952789|2.197432|2.128579|2.097696|2.629802|0.073660|3.106066|4.037371|3.973301|3.138268|20.693508|3.781567|4.750186|7.210345|12.956135|16.425968|17.640921|4.968706|2.929528|4.547599|2.770858|2.913701|2.591201|3.132968|2.229313|2.396329|2.197213|1.947171|1.854076|1.959248|2.549561|2.262064|2.267252|2.560499|4.976292|2.607473|0.044533|0.045791|0.046600|0.053682|0.055315|0.053096|0.063391|0.058928|0.058181|0.061712|0.052273|0.082577|0.083666|0.112569|0.131530|0.500000| |1.735746|1.990614|2.208841|2.169532|2.044175|2.658221|0.077311|3.025514|3.973913|3.956693|3.142397|20.826968|3.809686|4.751770|7.200783|12.938580|16.430580|17.640876|5.023985|2.964934|4.593842|2.811359|3.069886|2.711432|3.189143|2.221186|2.374103|2.136376|1.882531|1.803368|1.928653|2.749991|2.418516|2.493447|2.923900|5.641803|2.610828|0.045549|0.046014|0.047881|0.054169|0.057550|0.053819|0.064001|0.061551|0.056127|0.059201|0.051149|0.080794|0.078288|0.119663|0.119571|0.300267|0.500000| |1.827155|2.093230|2.398464|2.398668|2.245025|2.875576|0.082388|3.468989|4.590354|4.063987|3.162191|19.705388|3.406538|4.392139|5.955514|9.267073|16.941506|17.662230|4.259859|2.562288|4.100988|2.379510|2.492587|2.224659|2.700739|1.924761|2.068119|1.919549|1.712653|1.628346|1.708374|2.215678|1.989488|2.028890|2.299822|4.378663|2.706387|0.047266|0.048834|0.050643|0.056346|0.059630|0.059232|0.072882|0.067089|0.060783|0.066637|0.055893|0.095922|0.089606|0.138950|0.149996|0.298517|0.298566|0.500000| |1.850875|2.173350|2.294375|2.076899|2.150296|2.811222|0.078678|2.944807|3.647567|4.768282|4.282583|37.532387|9.491383|7.378165|7.603004|17.577390|8.888200|4.225799|25.933828|9.283277|10.816745|7.521783|7.242054|4.883427|5.475178|4.070798|5.053429|4.213352|3.286488|2.963401|3.191197|4.046691|3.174266|2.904111|3.327971|7.544672|3.206000|0.049768|0.048956|0.049187|0.062448|0.062834|0.051819|0.058324|0.058069|0.062389|0.059829|0.053345|0.072214|0.080291|0.096178|0.100310|0.117803|0.118668|0.095826|0.500000| |1.629239|1.865647|1.912567|1.771603|1.776838|2.254122|0.064682|2.279343|2.691514|3.247220|3.075061|26.406483|4.952239|4.207476|4.428295|9.683796|6.213056|3.258586|9.670593|7.078078|9.099312|8.958732|17.770869|8.827950|7.787804|5.022287|5.611310|4.105131|3.283696|3.151902|3.656063|7.052348|4.712091|4.162466|5.046652|13.796399|2.502557|0.044469|0.042860|0.043738|0.053196|0.054693|0.044839|0.049244|0.050374|0.050967|0.048937|0.045035|0.057645|0.061245|0.074449|0.072917|0.089263|0.098430|0.077005|0.228376|0.500000| |1.678585|1.909764|1.911493|1.691053|1.868369|2.172962|0.058702|2.145425|2.324901|2.825036|3.007125|28.670393|4.119490|3.238688|2.919139|5.488438|4.336911|2.194802|6.825421|7.090073|14.236457|6.871996|4.629392|3.938822|5.666573|5.594593|8.823696|17.790127|9.022003|5.628800|4.930661|3.027847|2.592007|2.238793|2.320771|4.904964|2.583613|0.046477|0.045142|0.043643|0.057218|0.053967|0.043620|0.046235|0.046531|0.056161|0.050631|0.047663|0.053274|0.061186|0.060127|0.063053|0.062291|0.060310|0.054868|0.121810|0.108946|0.500000| |1.418191|1.570916|1.566476|1.408983|1.555977|1.725049|0.046562|1.712320|1.815355|2.097340|2.198560|19.113048|2.716438|2.318614|2.178975|4.100419|3.382932|1.770076|4.233702|3.794346|7.116476|4.115072|3.292067|3.178766|4.973647|4.932219|5.622574|9.025676|17.722281|8.827948|5.654025|2.567967|2.330059|2.001280|1.997553|4.057252|1.981218|0.039465|0.038550|0.037068|0.046772|0.043996|0.036902|0.038610|0.038658|0.046498|0.042355|0.040404|0.043459|0.049080|0.047439|0.049891|0.050727|0.048739|0.045037|0.081277|0.078601|0.217573|0.500000| |1.221995|1.338680|1.340450|1.229955|1.323395|1.468121|0.040126|1.469500|1.570615|1.775269|1.813134|15.179375|2.240338|1.975627|1.930837|3.711869|3.041058|1.636428|3.526517|3.039049|5.343835|3.594163|3.159404|3.379572|5.787213|5.623735|4.917011|5.644424|8.826527|17.717488|9.014435|2.787629|2.644191|2.206327|2.117818|4.220805|1.639713|0.033966|0.033172|0.032321|0.039235|0.037703|0.032320|0.033892|0.033972|0.038930|0.036275|0.034584|0.037844|0.041667|0.041736|0.043498|0.047137|0.045725|0.041702|0.070780|0.074574|0.124210|0.213848|0.500000| |1.197138|1.315585|1.325066|1.229309|1.290686|1.465702|0.040592|1.475942|1.608277|1.815728|1.815150|15.082211|2.325556|2.067551|2.082468|4.123433|3.262748|1.785721|3.779222|3.217820|5.327491|4.185730|4.034201|4.955318|10.157291|8.903051|5.603470|4.927326|5.614081|8.942324|17.743624|4.015533|3.909678|3.020835|2.787376|5.602232|1.617059|0.033151|0.032277|0.031929|0.038118|0.037414|0.032140|0.034024|0.034238|0.037546|0.035527|0.033623|0.038164|0.041306|0.043321|0.044630|0.051466|0.050881|0.045057|0.078557|0.091878|0.107186|0.123759|0.214512|0.500000| |1.158236|1.272053|1.292454|1.227185|1.234089|1.440671|0.040828|1.462677|1.631773|1.806788|1.744547|13.923522|2.245697|2.087009|2.222163|4.537029|3.542873|2.020363|3.619469|2.823697|4.449948|3.576048|4.381121|6.426992|9.004564|4.562555|3.600678|2.897424|2.764014|3.135931|4.038031|8.847118|17.824738|8.440220|5.855191|10.458176|1.542607|0.031882|0.030946|0.031374|0.036099|0.036679|0.031917|0.034218|0.034679|0.035193|0.034188|0.032118|0.038325|0.040002|0.045295|0.045358|0.057548|0.060265|0.050670|0.079563|0.110461|0.071052|0.066555|0.079162|0.124398|0.500000| |1.122267|1.226403|1.251286|1.208470|1.184009|1.391001|0.039921|1.416930|1.587872|1.718022|1.633920|12.598659|2.032344|1.959432|2.133913|4.305479|3.512458|2.060533|3.146332|2.332807|3.712232|2.723662|3.331672|4.060697|4.971401|2.900515|2.570623|2.163901|2.036508|2.190172|2.591204|5.844666|8.456035|17.802787|8.826179|10.455165|1.456440|0.030793|0.029879|0.030715|0.034359|0.035569|0.031429|0.033843|0.034440|0.033354|0.032917|0.030895|0.037590|0.038266|0.044978|0.044147|0.057729|0.063175|0.052286|0.069642|0.093823|0.055553|0.050742|0.056396|0.075776|0.192643|0.500000| |1.297053|1.434819|1.473334|1.428338|1.370888|1.667711|0.048611|1.702092|1.955371|2.125927|1.981781|15.129481|2.520140|2.472482|2.765931|5.650446|4.536659|2.677214|3.884451|2.754210|4.288538|3.097513|3.970150|4.294992|4.710581|2.841084|2.701939|2.252639|2.036907|2.095133|2.419787|6.037476|5.818616|8.610317|17.836937|16.524167|1.735059|0.035399|0.034236|0.035635|0.039893|0.042066|0.036733|0.040096|0.041095|0.038375|0.038132|0.035479|0.045042|0.045227|0.056445|0.053959|0.072719|0.085956|0.066792|0.087705|0.125150|0.059374|0.050901|0.052997|0.067217|0.123090|0.195178|0.500000| |4.198313|6.044272|6.759374|4.448285|6.516752|8.750351|0.174433|6.671714|5.299134|6.019862|8.924045|42.745900|4.330788|4.399534|3.351818|5.084965|5.664358|2.583815|4.570873|3.051945|5.821574|2.464025|2.245946|1.926805|2.468224|1.919595|2.227644|2.302344|2.028590|1.786876|1.748612|1.757546|1.564001|1.502314|1.631661|3.229348|17.518815|0.105879|0.111816|0.099990|0.203172|0.150821|0.106258|0.114831|0.111814|0.230061|0.155704|0.137804|0.139404|0.202990|0.121010|0.123395|0.068192|0.066441|0.069440|0.083169|0.064779|0.072395|0.056210|0.045856|0.044416|0.041291|0.038572|0.045111|0.500000| |4.633307|7.200649|6.557868|4.545024|5.082907|8.764981|0.220031|5.552913|4.883846|5.777373|8.984088|46.380905|4.434186|4.360169|3.307006|5.052075|5.534162|2.532155|4.688171|3.170544|6.139983|2.540515|2.345037|1.996833|2.528330|1.946927|2.256102|2.289650|2.002242|1.775876|1.756512|1.832292|1.622978|1.568047|1.717883|3.405023|17.583530|0.121199|0.112970|0.111214|0.236038|0.215960|0.106833|0.111322|0.124700|0.153229|0.119829|0.116799|0.123023|0.142643|0.122699|0.108916|0.065457|0.066912|0.067773|0.084161|0.068662|0.071451|0.054897|0.045401|0.044704|0.042570|0.040176|0.047765|0.304122|0.500000| 1919.625625 -12236.841412 4764.251844 -232.956897 -5785.920840 3864.380024 -1921.540816 2.000998 40D9810000000000 4546B2E3C6FC53BF 44C5D86F6CBCF248 421249EE3C000006 C03C000000000004 4433E96891C99353