Version2.0 2020-07-27T04:50:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 18-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)[C@@H](CNC(=O)C(=O)NNC(=O)c2cccnc2)c3ccc(cc3)N(C)C C09080401 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)[C@@H](CNC(=O)C(=O)NNC(=O)c2cccnc2)c3ccc(cc3)N(C)C C01[X(C25H27N5O5S1)] 183 C1 598 Cc1ccc(cc1)S(=O)(=O)[C@H](c1ccc(cc1)N(C)C)CNC(=O)C(=O)NNC(=O)c1cccnc1 Cc1ccc(cc1)S(=O)(=O)[C@H](c1ccc(cc1)N(C)C)CNC(=O)C(=O)NNC(=O)c1cccnc1 CN(C)c1ccc(cc1)[C@H](CNC(=O)C(=O)NNC(=O)c2cccnc2)[S](=O)(=O)c3ccc(C)cc3 InChIKey=MFSUIHYTAIKUFF-QFIPXVFZSA-N InChI=1S/C25H27N5O5S/c1-17-6-12-21(13-7-17)36(34,35)22(18-8-10-20(11-9-18)30(2)3)16-27-24(32)25(33)29-28-23(31)19-5-4-14-26-15-19/h4-15,22H,16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)/t22-/m0/s1 InChI=1/C25H27N5O5S/c1-17-6-12-21(13-7-17)36(34,35)22(18-8-10-20(11-9-18)30(2)3)16-27-24(32)25(33)29-28-23(31)19-5-4-14-26-15-19/h4-15,22H,16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)/t22-/m0/s1/f/h27-29H Cc1ccc(cc1)S(=O)(=O)[C@@H](CNC(=O)C(=O)NNC(=O)c2cccnc2)c3ccc(cc3)N(C)C C01[X(C25H27N5O5S1)] 183 C01 598 Cc1ccc(cc1)S(=O)(=O)[C@H](c1ccc(cc1)N(C)C)CNC(=O)C(=O)NNC(=O)c1cccnc1 O=[C]([NH]C[C@H]([S]([O])([O])[C]1[CH][CH][C]([CH][CH]1)C)[C]1[CH][CH][C]([CH][CH]1)N(C)C)C(=O)NNC(=O)[C]1[CH][CH][CH][N][CH]1 C[C]1[CH][CH][C]([CH][CH]1)[S]([O])([O])[C@@H](CNC(=O)C(=O)NNC(=O)[C]2[CH][CH][CH][N][CH]2)[C]3[CH][CH][C]([CH][CH]3)N(C)C InChIKey=MFSUIHYTAIKUFF-QFIPXVFZSA-N InChI=1S/C25H27N5O5S/c1-17-6-12-21(13-7-17)36(34,35)22(18-8-10-20(11-9-18)30(2)3)16-27-24(32)25(33)29-28-23(31)19-5-4-14-26-15-19/h4-15,22H,16H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)/t22-/m0/s1 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0.04028 0.03597 11.97 16.73 23.78 29.33 32.09 38.49 42.22 50.26 63.39 69.16 89.93 97.32 98.95 115.83 122.61 173.26 180.27 199.97 227.19 245.46 258.31 270.13 285.05 315.84 343.53 376.02 408.92 420.45 438.93 452.83 467.37 498.52 504.25 513.99 515.14 567.78 587.19 609.55 626.04 645.34 653.60 654.13 668.89 676.20 682.07 718.97 744.52 774.66 799.41 823.68 835.33 854.78 874.72 909.22 931.25 947.03 977.23 1000.04 1004.65 1045.88 1107.13 1112.49 1118.14 1126.99 1151.83 1161.56 1185.19 1201.10 1263.72 1284.56 1317.26 1329.31 1340.07 1342.74 1350.32 1374.66 1376.56 1425.02 1473.62 1500.13 1539.08 1548.06 1579.25 1582.20 1588.49 1595.20 1600.26 1601.94 1605.77 1606.93 1612.24 1622.90 1636.41 1640.60 1685.11 1686.52 1689.13 1708.26 1721.33 1729.68 1730.22 1756.09 1763.00 1794.60 1815.52 1821.90 1841.85 1857.87 1861.03 1887.15 1897.01 1897.47 1907.57 1909.40 1933.84 1957.50 1966.64 1986.94 2018.69 2038.38 2073.05 2100.05 2107.52 2119.33 2139.54 2148.35 2149.92 2225.33 2245.37 2253.94 2278.57 2281.00 2303.35 2345.44 2350.44 2353.16 2355.58 2370.80 2372.09 2376.02 2377.94 2400.80 2412.63 2416.40 2443.03 2484.88 2534.84 2537.07 2542.30 2567.33 2599.28 2605.62 2617.55 2800.87 2831.54 2895.42 4531.44 4547.55 4615.51 4683.98 4685.68 4698.13 4700.43 4712.99 4732.09 4748.53 4787.52 4814.44 4833.67 4847.30 4848.34 4848.54 4853.28 4869.13 4885.98 4899.46 4901.76 4902.65 4912.27 4915.94 5512.58 5576.81 5624.69 0.539753 0.572429 0.573373 0.466674 -2005.903169 -2005.870493 -2005.869549 -2005.976248 3.578702D-04 MUNgauss RevisionA2.0 retrievium 27-Jul-2020 DUDE Cc1ccc(cc1)S(=O)(=O)[C@@H](CNC(=O)C(=O)NNC(=O)c2cccnc2)c3ccc(cc3)N(C)C C09080401 RHF 6-31G(d) (6D,10F) C1 509.173291 |X|Y|Z| 69.958517 44.095060 149.556598 77.270200 27 6 7 16 22 4 1 |36.858105| |12.616671|36.858105| |7.557190|13.690465|36.858105| |5.016575|7.890293|13.781360|36.858105| |4.444469|6.861065|7.974693|13.735795|36.858105| |5.016652|7.893167|6.873384|7.899363|13.734283|36.858105| |7.555566|13.691587|7.954951|6.869190|7.970612|13.778689|36.858105| |3.148055|4.194463|4.741743|6.966422|10.792119|6.983919|4.746269|388.023441| |2.871323|3.684647|3.839433|4.958754|7.318588|6.467801|4.418803|93.823053|73.516695| |2.862246|3.670831|4.389897|6.403790|7.294791|4.960412|3.833223|94.132855|13.630593|73.516695| |2.806458|3.570885|3.941533|5.219602|6.666240|5.262399|3.959664|74.779213|12.987740|12.804340|36.858105| |2.935502|3.735559|3.913465|4.905522|6.519450|5.823460|4.331134|58.103839|12.204129|9.685296|17.595764|0.500000| |2.299089|2.795395|3.018641|3.766186|4.528440|3.882604|3.077117|49.680632|11.283171|10.472310|12.316889|0.246791|36.858105| |2.182498|2.617889|2.717183|3.267542|4.033293|3.748542|2.973313|41.191046|11.729001|8.309150|7.632094|0.205735|13.187625|53.358707| |1.974900|2.309534|2.357480|2.733126|3.255668|3.145926|2.605263|29.754937|8.253577|6.291918|5.427526|0.158208|7.833199|19.489010|36.858105| |1.866537|2.155153|2.211588|2.531915|2.919184|2.802089|2.383584|25.614637|6.660182|5.610242|4.857752|0.140450|6.715685|11.440018|15.830729|73.516695| |1.864577|2.147739|2.142935|2.425859|2.887112|2.910762|2.452722|25.089860|7.408788|5.345892|4.051735|0.120940|5.045335|10.828983|12.402280|14.235349|36.858105| |1.921683|2.220098|2.194779|2.482318|2.999728|3.079631|2.572074|26.019805|8.218265|5.490002|3.877561|0.115240|4.589608|9.568890|7.940280|9.808037|15.970421|73.516695| |1.685332|1.904715|1.893117|2.102220|2.433609|2.466262|2.143811|20.289608|5.732536|4.452295|3.284855|0.097781|3.948075|7.270641|7.941385|12.737411|14.091008|14.981474|53.358707| |1.592167|1.775480|1.743120|1.904646|2.187980|2.259559|2.000503|17.677080|5.027306|3.909835|2.743965|0.081873|3.138761|5.479647|5.177066|8.456282|8.108922|12.382734|19.009039|53.358707| |1.645439|1.822329|1.760768|1.898514|2.184926|2.312345|2.072761|17.097634|4.856658|3.732846|2.628196|0.080279|2.870656|4.878825|4.370446|7.185670|6.207027|10.438362|10.964654|18.947227|36.858105| |1.765323|1.958943|1.879096|2.018505|2.333172|2.498262|2.244078|17.968943|5.038420|3.859654|2.822600|0.088596|3.007390|5.048597|4.520445|7.568837|5.922540|9.625627|9.604494|11.561724|15.936062|73.516695| |1.530933|1.672470|1.605889|1.710472|1.946259|2.073403|1.892043|14.949715|4.240768|3.313640|2.225021|0.067047|2.386239|3.921686|3.315724|5.486565|4.387729|7.992515|7.026374|10.677979|12.742817|14.358023|36.858105| |1.491368|1.608840|1.532273|1.610551|1.813945|1.948881|1.812114|13.605514|3.792806|3.024886|2.023128|0.061237|2.120788|3.381413|2.803685|4.749449|3.466911|6.231988|5.382081|7.130499|7.694420|11.937308|13.705594|36.858105| |1.389643|1.484351|1.411837|1.473406|1.643985|1.764900|1.659620|12.226196|3.394911|2.750521|1.787267|0.053505|1.861782|2.918727|2.363881|4.009207|2.847696|5.210733|4.293047|5.430571|5.090286|8.064130|7.989251|13.815420|36.858105| |1.336903|1.429985|1.366561|1.431051|1.595422|1.702212|1.594538|11.963244|3.347633|2.714116|1.724287|0.051033|1.810661|2.845219|2.280889|3.827648|2.769264|5.178813|4.119964|5.222963|4.535358|6.866603|7.041182|8.028021|13.735755|36.858105| |1.363941|1.471866|1.415195|1.495780|1.678012|1.778724|1.645435|12.790362|3.625024|2.904236|1.835660|0.054015|1.955896|3.122123|2.510919|4.151315|3.139844|5.990589|4.670919|6.115300|5.055421|7.183407|7.979971|6.875712|7.986705|14.439713|53.358707| |1.455455|1.587502|1.530982|1.633190|1.851496|1.958936|1.787057|14.320065|4.098507|3.217317|2.082062|0.061637|2.248663|3.681730|3.033118|4.952638|3.995244|7.635213|6.120307|8.820252|7.483254|9.443724|13.726830|8.009802|7.046175|8.427309|19.643864|36.858105| |2.825407|3.533558|4.099109|5.345636|5.718182|4.434537|3.645294|48.769883|8.583204|10.896039|12.587735|0.248159|7.454830|6.817423|4.103119|7.156877|3.181751|5.343070|3.727836|3.176284|2.249456|4.299120|1.936154|1.792268|1.599244|1.538287|2.205024|1.812352|36.858105| |2.990312|3.666874|4.146745|4.945822|5.038925|4.246653|3.711186|35.875978|6.936697|7.875364|7.596364|0.206111|5.235388|5.518313|3.583732|6.456732|2.881320|4.812951|3.480501|3.013228|2.178373|4.237248|1.881845|1.770693|1.579539|1.503239|2.129317|1.741098|13.771722|36.858105| |2.797824|3.273887|3.745169|4.194185|3.950561|3.408865|3.157921|27.331255|5.487218|6.479373|5.015383|0.133855|3.970138|4.348763|2.922723|5.382364|2.418863|4.046853|3.002625|2.640402|1.909966|3.686192|1.674651|1.591469|1.433531|1.365623|1.923341|1.556883|7.872453|13.725898|36.858105| |2.519967|2.906235|3.410883|3.858756|3.523016|2.975254|2.758463|25.335669|5.077777|6.462013|4.393076|0.110513|3.708217|4.007887|2.680017|4.938811|2.227364|3.741194|2.775571|2.446741|1.748714|3.321127|1.546386|1.464426|1.328942|1.276443|1.804344|1.453942|6.746257|7.891458|13.706908|36.858105| |2.426159|2.850044|3.404251|4.073617|3.758426|3.051209|2.740997|29.081331|5.656011|7.927473|4.995375|0.116461|4.321813|4.447408|2.884170|5.241027|2.361514|3.981600|2.899073|2.533513|1.785955|3.352626|1.576915|1.477063|1.341022|1.298204|1.850695|1.495580|7.894855|6.933835|7.983560|13.609484|36.858105| |2.543788|3.090068|3.684288|4.724707|4.632097|3.595959|3.071801|39.836928|7.254295|10.923175|7.468033|0.154699|6.104531|5.709394|3.509173|6.214424|2.783008|4.697935|3.320449|2.855998|1.998742|3.749953|1.745533|1.616530|1.457835|1.414152|2.031007|1.655756|13.642676|8.009242|6.899630|7.869416|13.840079|36.858105| |2.294523|2.549832|2.946486|3.175863|2.867539|2.497495|2.384311|20.238404|4.209473|5.225225|3.316686|0.085674|2.931418|3.306185|2.259474|4.184979|1.925273|3.245844|2.439911|2.180417|1.563134|2.954632|1.398152|1.334115|1.219895|1.172678|1.649949|1.319066|4.502741|5.119203|7.745560|13.532445|7.863427|5.157650|53.358707| |2.342451|2.532577|2.857867|2.942256|2.653759|2.385453|2.342750|18.035439|3.831474|4.531394|2.905936|0.077911|2.552201|2.973704|2.061832|3.816225|1.789283|3.026396|2.288735|2.068290|1.500380|2.853442|1.349784|1.300752|1.192503|1.140724|1.593532|1.268180|3.748747|4.506686|6.692523|7.815762|5.134129|3.931221|17.941201|36.858105| |1.957243|2.152436|2.437344|2.634593|2.445720|2.158184|2.047943|17.856605|3.808646|4.661745|2.926161|0.075353|2.731249|3.110364|2.160777|4.062180|1.843990|3.086716|2.365091|2.112808|1.501736|2.817247|1.345626|1.282219|1.174819|1.132222|1.594983|1.273576|3.778854|4.043078|5.359285|7.842844|6.357473|4.430955|17.843428|7.917857|36.858105| |17.535648|8.873762|6.303051|4.466947|3.998956|4.453986|6.264872|20.851622|4.847082|4.839254|2.554949|0.073280|2.137816|2.784517|1.851216|3.097842|1.765245|3.260241|2.174203|2.066848|1.566143|2.960515|1.470051|1.431309|1.343206|1.300405|1.807786|1.409315|2.541445|2.624456|2.465638|2.271345|2.223245|2.333208|2.841438|2.112921|1.806608|0.500000| |17.579039|8.839703|5.636966|4.194759|3.973541|4.712570|7.114915|20.743990|4.852587|4.632913|2.672724|0.079318|2.213349|2.904752|1.957018|3.295121|1.866206|3.417872|2.310723|2.198015|1.686843|3.239195|1.574549|1.546456|1.441395|1.378420|1.902068|1.488395|2.659055|2.853605|2.660209|2.363506|2.254761|2.365411|2.939127|2.226907|1.857900|0.302022|0.500000| |17.577066|8.840960|7.092340|4.706433|3.974265|4.200493|5.649320|20.739885|4.644605|4.829532|2.672290|0.076758|2.199248|2.804239|1.874962|3.187084|1.755545|3.184202|2.175684|2.049724|1.549268|2.952734|1.439930|1.405171|1.310405|1.259706|1.746839|1.368058|2.780513|2.995396|2.897075|2.627812|2.486615|2.543747|3.311614|2.526584|2.053464|0.302043|0.301344|0.500000| |7.009549|8.905179|17.714108|8.959459|5.667156|4.951964|5.650337|27.869589|5.731750|6.840642|3.396266|0.092293|2.692705|3.284584|2.122867|3.586227|1.932322|3.496097|2.352069|2.173385|1.608378|3.038207|1.475381|1.413500|1.309387|1.269203|1.784460|1.410749|3.669810|3.762701|3.603523|3.392677|3.343599|3.458784|4.121008|2.971828|2.486478|0.169600|0.143042|0.212539|0.500000| |4.089062|5.622465|8.905063|17.758321|8.916627|5.634220|4.953299|47.246579|8.135094|12.995677|5.158953|0.126293|3.829165|4.362262|2.673547|4.450625|2.340637|4.217362|2.773583|2.498518|1.808038|3.391175|1.628517|1.528525|1.401007|1.365846|1.948590|1.562102|5.692921|4.991168|4.399375|4.306777|4.789255|5.542147|4.777943|3.138607|2.895390|0.104196|0.096607|0.111529|0.215451|0.500000| |4.088934|5.623565|4.954715|5.633063|8.912670|17.746267|8.905759|47.427734|13.216953|8.163047|5.224371|0.168489|4.050263|5.666928|3.491682|5.380704|3.316903|6.396468|3.751742|3.447650|2.615124|5.040808|2.330152|2.171424|1.950567|1.879818|2.687166|2.193830|4.115035|3.888793|3.107117|2.720028|2.804313|3.329018|3.125770|2.190872|2.022375|0.103861|0.111702|0.096736|0.107550|0.124103|0.500000| |7.005190|8.903653|5.649841|4.949821|5.665131|8.956793|17.714312|27.905010|6.890030|5.728886|3.416601|0.105540|2.767388|3.746805|2.470261|4.024410|2.383201|4.471439|2.866290|2.716070|2.100211|4.059936|1.937590|1.875166|1.723981|1.649282|2.299433|1.824711|3.126279|3.220379|2.787573|2.440420|2.405298|2.661755|2.919925|2.133234|1.867741|0.167916|0.213856|0.143446|0.124098|0.107527|0.215476|0.500000| |2.194678|2.652179|2.915897|3.667733|4.266487|3.563060|2.862697|48.397127|10.826419|11.995803|8.762040|0.174931|17.586947|12.467170|6.074189|9.473779|4.358861|7.321293|4.759155|3.881284|2.585115|4.709668|2.199154|1.955079|1.739420|1.711255|2.527015|2.113275|6.436089|4.492694|3.614296|3.561211|4.358005|6.206262|3.894188|2.453527|2.704048|0.057389|0.058086|0.058535|0.073206|0.107218|0.101406|0.071288|0.500000| |2.146449|2.557734|2.754768|3.333959|3.820984|3.353395|2.765675|36.993569|8.362167|8.288417|8.904189|0.204224|17.672800|12.677663|7.673148|14.175821|4.762942|7.299279|5.393812|4.229560|2.825081|5.298591|2.332637|2.087616|1.827226|1.765238|2.579320|2.176739|7.254632|5.433199|4.227307|3.956600|4.543630|6.143522|4.245295|2.693787|2.963292|0.055232|0.057757|0.057739|0.069499|0.094979|0.095913|0.069897|0.302539|0.500000| |2.249288|2.713756|2.785069|3.352356|4.262794|4.045568|3.142692|44.369997|15.081318|8.653094|6.728969|0.185038|8.984485|25.943792|9.489091|10.832186|7.725574|14.685394|6.836122|5.441967|3.615697|6.544487|2.964138|2.536196|2.203186|2.169152|3.267732|2.830220|4.441512|3.650032|2.913424|2.696122|2.982753|3.778467|3.064447|2.043425|2.105566|0.059055|0.061046|0.058279|0.068063|0.089934|0.129300|0.081113|0.210997|0.179389|0.500000| |1.655555|1.864538|1.861883|2.062164|2.358780|2.370902|2.077935|19.497319|5.324510|4.311054|3.265019|0.097250|3.926404|6.840942|7.681318|14.966710|9.408666|10.870515|26.037652|12.798977|6.671159|11.530021|4.486579|3.654743|2.934712|2.767626|4.148350|3.844117|2.791471|2.640892|2.293511|2.114302|2.190902|2.487144|2.533224|1.747062|1.815279|0.043379|0.046348|0.043918|0.047446|0.055804|0.072502|0.056519|0.095497|0.114658|0.124756|0.500000| |1.507399|1.674485|1.649469|1.800888|2.055259|2.110218|1.875260|16.654680|4.753789|3.743867|2.526985|0.074007|2.902513|4.990715|4.507392|7.330087|6.710705|11.249293|12.950971|26.121946|9.217555|10.823844|7.346267|4.867616|3.931836|3.998665|6.736156|7.281177|2.163703|2.037211|1.800713|1.687653|1.758805|1.976170|2.058990|1.431797|1.472624|0.040194|0.042322|0.039631|0.042146|0.048452|0.065345|0.051916|0.075079|0.079247|0.102944|0.194423|0.500000| |1.533578|1.650875|1.567276|1.640876|1.844514|1.988856|1.859124|13.705679|3.775567|3.031807|2.066850|0.063192|2.144727|3.386604|2.821655|4.857512|3.393633|5.944651|5.269476|6.610333|7.184684|13.217887|8.929881|17.747197|8.875035|5.664912|6.745725|5.678987|1.843403|1.843576|1.658202|1.513979|1.514257|1.651208|1.877554|1.352033|1.322864|0.040640|0.044393|0.040219|0.040157|0.043151|0.061357|0.053575|0.054406|0.059125|0.069702|0.102759|0.119753|0.500000| |1.349052|1.428786|1.354584|1.402955|1.553848|1.671443|1.589269|11.421640|3.138211|2.578349|1.668983|0.049962|1.721102|2.657856|2.134230|3.655694|2.502515|4.543505|3.731455|4.530739|4.125694|6.918176|5.651404|8.885695|17.741318|8.896152|7.754761|5.044542|1.509203|1.502563|1.373106|1.272326|1.276621|1.378352|1.597971|1.154146|1.130441|0.036234|0.039027|0.035415|0.035022|0.037035|0.050940|0.046061|0.044719|0.047093|0.055477|0.072239|0.090324|0.211543|0.500000| |1.265707|1.344761|1.284929|1.338946|1.481998|1.578703|1.490340|11.041830|3.071011|2.524605|1.579553|0.046487|1.650058|2.559688|2.027141|3.416982|2.408089|4.503695|3.531788|4.317219|3.610975|5.650410|5.038755|5.677366|8.894584|17.709606|12.735985|5.920669|1.420344|1.389920|1.270867|1.192810|1.212311|1.313847|1.499152|1.073644|1.064841|0.034340|0.036248|0.033178|0.033285|0.035556|0.048092|0.042880|0.043613|0.044692|0.054213|0.066650|0.092181|0.123965|0.213885|0.500000| |1.465841|1.610038|1.564175|1.683455|1.915813|2.007401|1.811381|15.087734|4.369118|3.404365|2.179496|0.063859|2.394793|3.980532|3.273209|5.244431|4.440672|8.754647|6.677654|9.527616|6.810422|8.640384|8.858152|5.657757|5.042531|5.932332|12.789682|17.708081|1.879595|1.781965|1.587567|1.490975|1.547938|1.725390|1.834802|1.286921|1.303833|0.039503|0.041363|0.038263|0.039995|0.044919|0.062527|0.050947|0.063043|0.063905|0.085899|0.112316|0.247747|0.124111|0.109112|0.130366|0.500000| |3.154420|3.869738|4.130385|4.721519|5.079833|4.623172|4.065145|34.277451|6.992516|7.081529|7.058860|0.229769|4.905572|5.563828|3.697947|6.616755|3.023588|5.051012|3.657694|3.181921|2.340837|4.641070|2.009616|1.902008|1.685029|1.589461|2.240029|1.837137|8.929665|17.703270|8.970011|5.642037|4.982607|5.667525|5.661314|3.936075|3.401162|0.075802|0.085626|0.086531|0.101658|0.123801|0.119546|0.099393|0.113268|0.139173|0.103243|0.077095|0.059103|0.055489|0.044581|0.040677|0.051835|0.500000| |2.791095|3.164975|3.501267|3.709204|3.497770|3.160881|3.032328|23.390185|4.875741|5.478625|4.116078|0.115445|3.364363|3.860382|2.661346|4.931883|2.252844|3.771979|2.839738|2.526907|1.848522|3.591399|1.629586|1.564923|1.412273|1.337873|1.870534|1.507567|5.644627|8.981750|17.763640|8.876218|5.650571|4.970099|9.535743|7.511480|4.968783|0.067757|0.074878|0.081342|0.094792|0.104672|0.080457|0.075780|0.084917|0.099380|0.072532|0.060482|0.047776|0.045583|0.037790|0.034645|0.042390|0.219205|0.500000| |2.222012|2.562439|3.049987|3.575887|3.270036|2.690970|2.447298|25.388006|5.083154|7.221496|4.081175|0.096341|3.740718|3.966706|2.596957|4.714749|2.162919|3.666327|2.677023|2.357381|1.654548|3.076595|1.473655|1.380884|1.261629|1.227510|1.751498|1.408233|5.639680|4.986179|5.665413|8.890537|17.740707|8.993363|9.847366|4.709604|6.698078|0.057381|0.057229|0.063494|0.084938|0.118045|0.069133|0.060205|0.108921|0.108421|0.074768|0.056048|0.045847|0.039156|0.033396|0.031962|0.040575|0.108071|0.123969|0.500000| |2.385614|2.885434|3.421521|4.423742|4.424635|3.423494|2.893882|41.467813|7.630715|12.966402|6.879364|0.139178|6.386867|5.912323|3.542377|6.143217|2.822701|4.813252|3.336776|2.867841|1.983352|3.669370|1.739371|1.598324|1.446472|1.414633|2.045865|1.667604|8.877957|5.672896|4.968975|5.631865|9.005520|17.749115|5.714754|3.294712|3.827293|0.061838|0.061476|0.065671|0.089300|0.146347|0.089357|0.070040|0.206441|0.168930|0.110154|0.068687|0.055673|0.044978|0.037851|0.036547|0.048683|0.124213|0.107864|0.218837|0.500000| |2.232416|2.403164|2.642458|2.717489|2.520589|2.308824|2.264653|17.264122|3.724578|4.252191|2.845272|0.077749|2.528533|2.978335|2.098640|3.934828|1.820697|3.054517|2.349896|2.122537|1.544197|2.953355|1.384628|1.339113|1.223928|1.164951|1.622394|1.292977|3.606548|4.459141|6.515748|6.656994|4.520647|3.640926|12.170084|17.447128|6.894881|0.055801|0.059904|0.066270|0.074913|0.078818|0.059649|0.057946|0.066543|0.075238|0.056464|0.050220|0.040636|0.038864|0.032958|0.030412|0.036313|0.111864|0.225840|0.113240|0.085025|0.500000| |2.160062|2.293042|2.572098|2.614932|2.354402|2.133025|2.112192|16.040348|3.454052|4.079820|2.519815|0.067469|2.257388|2.665296|1.856622|3.429518|1.630068|2.768100|2.097183|1.908675|1.383942|2.617038|1.254361|1.211846|1.117199|1.071474|1.494806|1.183791|3.139272|3.604463|4.872042|5.724989|4.276813|3.345792|12.558574|17.587152|7.356461|0.054777|0.057031|0.065029|0.075324|0.077654|0.054649|0.053851|0.061021|0.065833|0.051216|0.044378|0.036890|0.034911|0.030103|0.028112|0.033358|0.089424|0.146657|0.115788|0.080709|0.301097|0.500000| |2.668761|2.874831|3.272444|3.284007|2.891014|2.602935|2.600821|18.932469|3.992074|4.708957|2.991042|0.081013|2.553496|2.991551|2.056227|3.756333|1.796123|3.062805|2.282817|2.071308|1.512838|2.886762|1.364004|1.317248|1.208561|1.155112|1.611337|1.280933|3.840569|4.737012|6.933251|7.179298|4.867741|3.895359|12.445665|17.603518|5.703847|0.065969|0.069991|0.081373|0.095944|0.096311|0.065379|0.065313|0.067861|0.073488|0.057646|0.048098|0.039785|0.038055|0.032521|0.030209|0.036052|0.116967|0.226162|0.121083|0.090458|0.299682|0.302285|0.500000| |1.901195|2.110445|2.405183|2.652577|2.477863|2.159669|2.021910|18.608602|3.954749|4.974005|3.040091|0.076527|2.901836|3.257342|2.244613|4.211620|1.901845|3.182848|2.427629|2.157556|1.520053|2.832430|1.360417|1.288036|1.180198|1.142616|1.617667|1.293863|3.913002|3.935113|4.881995|7.243448|7.190573|4.888070|12.358790|5.695870|17.649733|0.049107|0.049929|0.054911|0.067749|0.082226|0.056441|0.051062|0.081534|0.087646|0.061070|0.051635|0.041939|0.036739|0.031437|0.029838|0.036990|0.090889|0.119600|0.239934|0.120767|0.140637|0.148392|0.127277|0.500000| |1.857073|2.009598|2.264762|2.402088|2.212512|1.972421|1.896355|15.935885|3.440826|4.177757|2.533696|0.065849|2.374757|2.759319|1.924892|3.596162|1.669382|2.812575|2.152541|1.941562|1.384392|2.588578|1.250710|1.196808|1.102705|1.064395|1.495713|1.187793|3.157688|3.359955|4.290090|5.732009|4.891832|3.631403|12.480253|7.281642|17.584350|0.047914|0.048957|0.054499|0.065061|0.073060|0.051321|0.048328|0.065728|0.070563|0.052448|0.045734|0.037748|0.034260|0.029562|0.027907|0.033722|0.080930|0.115190|0.147833|0.090085|0.172075|0.227262|0.148142|0.302722|0.500000| |1.864956|2.044045|2.270825|2.446149|2.321804|2.081129|1.971788|17.067316|3.696480|4.364086|2.861538|0.074860|2.716862|3.125516|2.211311|4.230171|1.882045|3.119034|2.438610|2.173391|1.544311|2.906613|1.378458|1.315905|1.202077|1.154112|1.622704|1.298087|3.630156|3.966668|5.178807|6.680536|5.383829|4.065414|12.220398|6.976960|17.455912|0.047731|0.049725|0.054029|0.063558|0.073194|0.054776|0.050397|0.073588|0.083601|0.058254|0.052492|0.041931|0.037854|0.032153|0.030105|0.036820|0.094778|0.138726|0.148136|0.097722|0.200401|0.176040|0.141406|0.301050|0.300101|0.500000| 2003.793730 -12466.781163 4817.289720 -239.260307 -5884.958020 3878.515045 -2006.442975 2.001322 BC43EC27D8000001 4571B67D87D1A399 44F0EB7416C09C46 42490D7623800002 B7DA22391F5F0C01 445F949864385494