Version2.2 2021-02-09T09:08:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1CC[NH+](CC1)[C@H](CNC(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(=O)C)c4cccs4 C64220424 RHF 6-31G(d) (6D,7F) CC1CC[NH+](CC1)[C@H](CNC(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(=O)C)c4cccs4 C01[X(C25H34N4O2S1)] 192 C1 552 CC1CC[NH+](CC1)[C@@H](c1cccs1)CNC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)C CC1CC[NH+](CC1)[C@@H](c1cccs1)CNC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)C CC1CC[NH+](CC1)[C@H](CNC(=O)[C@@H](CC2=C3C=CC=CC3=[NH+]C2)NC(C)=O)c4sccc4 InChIKey=MGCCEDXSDUMDKE-DHIUTWEWSA-P InChI=1S/C25H32N4O2S/c1-17-9-11-29(12-10-17)23(24-8-5-13-32-24)16-27-25(31)22(28-18(2)30)14-19-15-26-21-7-4-3-6-20(19)21/h3-8,13,17,22-23H,9-12,14-16H2,1-2H3,(H,27,31)(H,28,30)/p+2/t22-,23-/m1/s1 InChI=1/C25H32N4O2S/c1-17-9-11-29(12-10-17)23(24-8-5-13-32-24)16-27-25(31)22(28-18(2)30)14-19-15-26-21-7-4-3-6-20(19)21/h3-8,13,17,22-23H,9-12,14-16H2,1-2H3,(H,27,31)(H,28,30)/p+2/t22-,23-/m1/s1/fC25H34N4O2S/h26-29H/q+2 CC1CC[NH+](CC1)[C@H](CNC(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(=O)C)c4cccs4 C01[X(C25H34N4O2S1)] 192 C01 552 CC1CC[NH+](CC1)[C@@H](c1cccs1)CNC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)C C[C@@H]1CC[NH](CC1)[C@@H](C1=[CH][CH]=CS1)CNC(=O)[C@@H](CC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)NC(=O)C C[C@@H]1CC[NH](CC1)[C@H](CNC(=O)[C@@H](CC2=C3C=CC=C[C]3NC2)NC(C)=O)c4sccc4 InChIKey=OXKOGYPHRBCWDC-DHIUTWEWSA-N InChI=1S/C25H34N4O2S/c1-17-9-11-29(12-10-17)23(24-8-5-13-32-24)16-27-25(31)22(28-18(2)30)14-19-15-26-21-7-4-3-6-20(19)21/h3-8,13,17,22-23,26,29H,9-12,14-16H2,1-2H3,(H,27,31)(H,28,30)/t22-,23-/m1/s1 InChI=1/C25H34N4O2S/c1-17-9-11-29(12-10-17)23(24-8-5-13-32-24)16-27-25(31)22(28-18(2)30)14-19-15-26-21-7-4-3-6-20(19)21/h3-8,13,17,22-23,26,29H,9-12,14-16H2,1-2H3,(H,27,31)(H,28,30)/t22-,23-/m1/s1/f/h27-28H 3407.1707527768 -1731.1011793 1-A 21571.2452 121 431 552 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.16228 -20.73075 -20.71382 -15.89985 -15.83601 -15.79653 -15.77346 -11.55445 -11.54413 -11.53204 -11.51484 -11.51444 -11.49739 -11.49450 -11.48873 -11.48711 -11.48284 -11.47692 -11.46564 -11.46351 -11.46323 -11.46127 -11.44910 -11.44569 -11.44398 -11.43646 -11.41988 -11.41928 -11.41708 -11.41021 -11.39224 -11.36843 -9.17268 -6.85531 -6.85430 -6.85267 -1.60560 -1.58051 -1.54149 -1.53820 -1.44745 -1.43037 -1.37196 -1.36494 -1.33021 -1.30518 -1.26423 -1.25034 -1.24622 -1.23338 -1.21550 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1308.99 1333.76 1369.87 1374.71 1393.25 1406.33 1423.50 1448.94 1460.84 1494.11 1501.06 1512.58 1515.14 1534.32 1541.45 1545.02 1550.56 1572.65 1592.13 1608.95 1619.20 1628.40 1630.77 1639.15 1657.56 1668.51 1676.66 1687.94 1721.88 1740.23 1754.71 1773.13 1777.89 1818.84 1826.78 1843.50 1865.37 1872.77 1878.39 1885.42 1914.43 1952.18 1972.99 1989.98 1995.68 2004.11 2013.74 2045.48 2047.74 2058.19 2074.26 2097.29 2116.07 2143.69 2145.49 2161.13 2183.57 2185.14 2197.96 2201.10 2218.79 2219.64 2237.60 2238.55 2246.26 2250.43 2258.11 2264.68 2266.22 2279.68 2295.12 2297.94 2313.44 2335.10 2336.20 2351.25 2355.88 2360.31 2361.46 2362.14 2363.30 2365.60 2388.90 2391.83 2439.23 2452.03 2512.13 2544.28 2556.34 2665.87 2797.71 2827.09 4586.29 4604.90 4614.79 4624.71 4637.76 4641.39 4655.96 4669.59 4692.97 4699.34 4701.80 4715.47 4717.30 4724.43 4733.06 4734.41 4762.85 4776.90 4792.11 4810.30 4810.52 4837.36 4840.45 4878.51 4880.71 4887.93 4907.91 4917.64 4920.18 4967.37 5296.75 5534.97 5554.37 5631.21 0.611927 0.641365 0.642309 0.546332 -1730.489253 -1730.459815 -1730.458870 -1730.554847 3.219084D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE CC1CC[NH+](CC1)[C@H](CNC(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(=O)C)c4cccs4 C64220424 RHF 6-31G(d) (6D,10F) C1 454.240248 |X|Y|Z| 60.046449 29.781148 130.685715 61.595969 26 6 7 16 22 3 1 |36.858105| |12.469204|36.858105| |7.517595|12.451280|36.858105| |4.894605|7.519460|12.514382|36.858105| |4.343698|6.382327|7.589501|12.580922|53.358707| |4.298095|5.870817|7.169201|9.321184|25.682176|0.500000| |4.882348|7.470416|6.528441|7.697637|17.164138|0.258592|36.858105| |7.527596|12.452143|7.670746|6.564352|10.345499|0.198564|12.486137|36.858105| |3.236430|4.295135|4.928555|7.595950|16.930196|0.256009|7.411704|4.875803|36.858105| |3.131968|4.170875|4.693086|7.324276|12.384322|0.182234|6.623179|4.495573|17.647493|0.500000| |2.841460|3.589439|3.769126|4.916264|10.179191|0.185685|6.504071|4.357142|12.331291|0.247317|36.858105| |2.354925|2.863018|3.026666|3.832562|6.776936|0.127911|4.413606|3.288363|7.706925|0.193392|13.179969|53.358707| |2.200051|2.658197|2.767013|3.469818|5.705289|0.104207|3.897935|2.970773|6.013355|0.179543|7.861304|19.175961|36.858105| |2.341769|2.873982|2.943705|3.729270|5.982674|0.104548|4.242210|3.180332|6.059683|0.204948|7.021669|11.653408|15.886055|73.516695| |1.868186|2.189680|2.279276|2.751853|4.298986|0.081329|2.962984|2.395072|4.152557|0.121471|4.966410|10.394485|12.326174|14.212073|36.858105| |1.822796|2.130638|2.260634|2.746340|4.174197|0.079296|2.790372|2.284669|4.053121|0.119667|4.482512|8.918956|9.006244|11.809312|17.563357|0.500000| |1.737671|2.001166|2.072067|2.435389|3.845373|0.075273|2.677175|2.214365|3.564315|0.098197|4.429145|8.879106|7.356443|9.295172|12.283425|0.246468|36.858105| |1.531800|1.734484|1.786701|2.055674|3.150920|0.062032|2.220550|1.891401|2.796652|0.078025|3.285422|5.872996|4.859468|7.004894|7.453891|0.181517|12.665299|36.858105| |1.421982|1.597578|1.660137|1.898991|2.848225|0.056345|1.983721|1.715339|2.498752|0.070009|2.809923|4.850679|3.932986|5.895844|5.654677|0.159964|7.371338|14.074131|36.858105| |1.410836|1.584038|1.670707|1.918650|2.835423|0.056294|1.933668|1.679841|2.497703|0.070008|2.711878|4.637403|3.677076|5.558364|5.027455|0.160212|5.775009|7.416661|13.180567|36.858105| |1.291877|1.435893|1.513360|1.715635|2.495894|0.049742|1.709488|1.508469|2.148670|0.060350|2.285807|3.753731|2.943115|4.618909|3.762617|0.117370|4.127741|5.135395|7.950355|14.222210|36.858105| |1.199764|1.323718|1.380377|1.546612|2.247067|0.044800|1.563825|1.392097|1.901098|0.053450|2.034940|3.274850|2.575457|4.121406|3.229515|0.095809|3.576528|4.645079|6.865237|7.852264|13.130618|36.858105| |1.200335|1.323965|1.367219|1.527444|2.237842|0.044532|1.577994|1.402768|1.886710|0.053031|2.054951|3.308127|2.623643|4.203184|3.319848|0.094356|3.788488|5.285052|7.631058|6.603461|7.707684|14.082955|36.858105| |1.299976|1.444884|1.487083|1.674472|2.489253|0.049361|1.761567|1.546760|2.126316|0.059683|2.371590|3.914818|3.148367|4.932253|4.178126|0.114591|5.089283|8.419298|13.162265|7.638872|6.818624|8.074846|13.427400|36.858105| |1.310099|1.454483|1.479994|1.658036|2.485320|0.049212|1.788411|1.570359|2.105166|0.059004|2.391224|3.906868|3.152201|4.982767|4.090422|0.105739|5.082154|8.277041|8.443354|5.293298|4.660858|5.264473|7.726098|14.534474|53.358707| |1.241800|1.369542|1.386032|1.538757|2.294451|0.045509|1.664534|1.475771|1.915268|0.053690|2.160081|3.444740|2.754997|4.449744|3.423645|0.088835|4.075816|5.825517|5.915984|4.233797|3.953459|4.648266|6.823232|9.284474|25.989042|0.500000| |1.443815|1.618323|1.640334|1.854076|2.832157|0.055852|2.049420|1.770914|2.433412|0.067944|2.860376|4.805596|3.927718|6.028091|5.258885|0.125767|7.258922|12.714860|8.216491|5.076658|4.104765|4.153658|5.197256|8.375808|17.930431|0.244087|36.858105| |1.762458|2.047014|2.092518|2.477666|3.763395|0.070593|2.686714|2.214876|3.440371|0.103891|3.942291|7.058614|7.800217|12.633231|13.182990|0.260498|7.589313|6.597411|5.231335|4.457343|3.535477|3.188582|3.373498|4.233375|5.848037|0.101527|5.411153|53.358707| |1.768747|2.044769|2.039880|2.372584|3.636949|0.068173|2.706915|2.242525|3.203730|0.095852|3.771982|6.299019|6.443118|11.489299|7.820868|0.160597|6.103349|5.516540|4.282091|3.556465|2.949148|2.779763|3.029010|3.775375|5.619031|0.101364|5.366261|18.845986|36.858105| |1.794502|2.067843|2.043470|2.354806|3.697835|0.070144|2.800249|2.316161|3.222221|0.093210|3.997424|6.620263|6.228769|10.404821|6.950799|0.140029|6.523815|5.645655|4.146284|3.368826|2.790784|2.652454|2.926832|3.696260|5.730536|0.104028|5.876288|11.591316|15.860704|73.516695| |1.695405|1.941926|1.915725|2.193166|3.264672|0.060924|2.468875|2.093548|2.770155|0.084280|3.097889|4.816890|4.601796|9.020658|5.073693|0.119360|4.150262|4.022507|3.425752|2.961547|2.576569|2.487456|2.700065|3.201957|4.736537|0.089483|4.106795|10.612973|12.660080|14.168778|36.858105| |2.868106|3.597422|4.389054|6.333811|10.460926|0.206343|4.946426|3.833393|12.682571|0.249834|7.507598|8.805009|5.059951|8.385851|3.901977|0.112516|3.453557|2.751901|2.532646|2.622759|2.264505|1.966896|1.915480|2.131985|2.811926|0.052017|2.344184|4.302434|2.841171|5.026282|2.460853|36.858105| |2.581299|3.152599|3.875571|5.374362|7.387376|0.142517|3.880207|3.184674|7.466768|0.198255|5.206452|6.982831|4.523224|7.648854|3.750210|0.114421|3.243113|2.666611|2.528669|2.700581|2.357673|2.021521|1.936065|2.124234|2.753576|0.050910|2.250848|4.215127|2.709278|4.658571|2.387705|14.132074|36.858105| |2.306097|2.702858|3.296125|4.144876|5.633316|0.116356|3.137780|2.713545|5.039217|0.129927|4.034634|5.574094|3.612193|5.960821|3.224472|0.099463|2.942342|2.493166|2.425984|2.656769|2.361637|2.010410|1.897399|2.049039|2.624082|0.048657|2.106911|3.658204|2.358621|4.087852|2.090698|8.191705|13.265676|36.858105| |2.312758|2.674873|3.231694|3.906262|5.604284|0.123262|3.139889|2.750804|4.815315|0.116047|4.082775|5.504870|3.392031|5.481559|3.030210|0.090700|2.898519|2.447563|2.362439|2.555054|2.270900|1.949484|1.852273|2.005847|2.586593|0.048077|2.084893|3.413158|2.241807|3.973794|1.971530|7.677846|8.243468|14.178433|36.858105| |2.653592|3.153145|3.769248|4.671146|7.657824|0.181938|4.068937|3.422962|6.702460|0.141603|5.753233|7.018587|3.938022|6.285619|3.297525|0.094114|3.184458|2.590162|2.407879|2.503850|2.185287|1.905051|1.850870|2.045037|2.694434|0.050065|2.227000|3.654158|2.453922|4.455024|2.124713|10.928556|7.453293|7.453327|11.031760|388.023441| |17.572012|8.796934|6.844910|4.525434|5.176616|0.103549|4.047445|5.481932|2.949201|0.080734|2.561651|2.956136|2.053381|3.892648|1.764310|0.048224|1.634805|1.452367|1.358615|1.355628|1.248194|1.159550|1.155930|1.244908|1.700766|0.032942|1.367615|2.278458|1.670306|2.985967|1.613415|2.681254|2.481047|2.236765|2.216353|17.558475|0.500000| |17.571264|8.792661|5.476987|4.059553|5.178460|0.103493|4.516964|6.851440|2.941543|0.079786|2.673934|3.042151|2.108661|4.006958|1.800830|0.048442|1.681560|1.490397|1.379556|1.359205|1.246385|1.164536|1.170911|1.268998|1.750848|0.033996|1.418023|2.336147|1.743190|3.157730|1.683618|2.578143|2.325015|2.081996|2.088700|17.020494|0.302198|0.500000| |17.544501|8.772483|6.795786|4.528871|5.690439|0.121457|4.525060|6.805039|3.129659|0.081955|2.780253|3.138577|2.121633|3.944597|1.813012|0.049208|1.708161|1.506363|1.400664|1.392288|1.276223|1.184646|1.183804|1.280480|1.754520|0.033945|1.418909|2.308065|1.696225|3.078691|1.612543|2.843067|2.537569|2.310238|2.364168|19.432983|0.301556|0.301502|0.500000| |8.913818|17.497204|8.922703|6.872799|7.722472|0.136247|6.814415|8.918692|4.125602|0.117686|3.460847|3.833664|2.693169|5.313327|2.218315|0.059900|1.996855|1.738362|1.601268|1.584102|1.437342|1.328048|1.330326|1.451670|1.991625|0.038311|1.626540|2.868206|2.115281|3.763352|2.038512|3.400050|3.058320|2.588357|2.503805|20.512797|0.213612|0.213545|0.173425|0.500000| |6.789165|8.787125|17.567104|9.008748|7.570912|0.145651|4.892458|5.539289|4.125727|0.113757|3.211646|3.661877|2.515525|4.775039|2.115980|0.058913|1.917313|1.674573|1.571564|1.591906|1.453648|1.327663|1.309690|1.414094|1.907652|0.036549|1.539352|2.673916|1.906165|3.360122|1.811771|3.856259|3.621316|3.146004|3.016257|23.638605|0.202109|0.139598|0.166251|0.215251|0.500000| |6.931482|8.808918|17.505582|8.868103|9.289722|0.209840|5.696841|6.836220|4.580522|0.115248|3.617680|3.972683|2.611249|4.809634|2.178440|0.060128|2.018834|1.743849|1.624959|1.639998|1.488618|1.357188|1.341910|1.456403|1.969938|0.037672|1.600553|2.695617|1.926121|3.459417|1.794464|4.326588|3.763111|3.337021|3.402199|28.631683|0.172105|0.140916|0.205454|0.173955|0.304097|0.500000| |4.506064|6.801817|8.791249|17.604100|12.423201|0.182307|7.096031|5.831916|7.012659|0.223862|4.706622|5.168293|3.615791|7.238827|2.850904|0.078990|2.458574|2.084267|1.924129|1.937839|1.733145|1.565845|1.549358|1.699701|2.293783|0.043460|1.884079|3.566073|2.513600|4.365242|2.358112|5.553936|5.054452|3.817882|3.466963|28.226993|0.118893|0.107984|0.110904|0.203507|0.214001|0.173115|0.500000| |4.061132|5.481156|8.800627|17.687449|12.338582|0.223345|5.617904|4.911470|7.229533|0.189994|4.608741|5.148232|3.399843|6.314358|2.753263|0.078089|2.442414|2.066934|1.932059|1.982829|1.776651|1.587320|1.552894|1.693259|2.258167|0.042641|1.842427|3.329624|2.295008|4.021475|2.109306|7.457498|6.774984|5.155914|4.703609|37.965720|0.108214|0.094719|0.108479|0.140626|0.214728|0.214488|0.301106|0.500000| |4.462150|6.681968|5.734642|7.022342|12.390605|0.181837|17.604621|8.746586|6.888554|0.199330|6.063130|5.957773|4.124550|8.509637|3.097905|0.080610|2.716083|2.262496|2.017303|1.958071|1.730613|1.586919|1.605375|1.794848|2.485948|0.047236|2.094812|3.918930|2.929493|5.299986|2.716890|4.560089|3.764431|2.995169|2.903656|25.509666|0.106817|0.118037|0.110169|0.198614|0.128479|0.132086|0.214245|0.144288|0.500000| |4.078362|5.484883|4.911738|5.606309|12.293925|0.223498|17.685280|8.876849|6.875250|0.162661|7.507653|6.593100|4.126339|7.721390|3.115743|0.079729|2.884173|2.363549|2.080090|2.001260|1.757602|1.612680|1.639371|1.846228|2.574192|0.048847|2.194823|3.804561|2.859894|5.411124|2.557546|4.687934|3.619464|2.992589|3.066226|29.030313|0.094923|0.108665|0.109269|0.139942|0.107971|0.128377|0.144523|0.126370|0.301136|0.500000| |6.959124|8.826835|6.842056|5.707986|9.284690|0.208675|8.878240|17.503107|4.528634|0.111036|4.163152|4.307661|2.789982|5.148736|2.284068|0.060704|2.157504|1.846440|1.679092|1.648141|1.482790|1.368324|1.377028|1.515344|2.091542|0.040144|1.728971|2.843464|2.105146|3.899722|1.947709|3.758311|3.086922|2.704981|2.823775|25.491952|0.141328|0.172629|0.206470|0.174091|0.139603|0.199894|0.133422|0.127766|0.172944|0.218033|0.500000| |6.800585|8.786953|5.539178|4.916680|7.582139|0.145267|9.006074|17.567196|4.072898|0.107595|3.882602|4.116531|2.793722|5.359386|2.282494|0.059877|2.122569|1.830830|1.654837|1.605702|1.446253|1.345872|1.364994|1.505951|2.097975|0.040451|1.738650|2.923880|2.216404|4.097488|2.093986|3.242602|2.757228|2.379574|2.405800|20.849638|0.139753|0.202472|0.166521|0.215129|0.123379|0.139472|0.130552|0.108106|0.214338|0.216161|0.304141|0.500000| |2.824656|3.478133|3.641252|4.485484|9.271216|0.194812|6.040333|4.334065|8.738193|0.173806|17.592781|12.607853|5.820963|9.069481|4.216675|0.106996|4.094338|3.101992|2.669918|2.577059|2.190129|1.960181|1.981202|2.275636|3.132035|0.058053|2.737324|4.615280|3.287519|6.345250|2.728746|6.710163|4.638080|3.859090|4.161705|45.091847|0.070065|0.073842|0.078670|0.090265|0.085475|0.101145|0.113803|0.118300|0.144236|0.207830|0.121878|0.107087|0.500000| |2.924986|3.716382|3.681318|4.630393|9.269224|0.161783|7.295424|4.671349|8.790861|0.217411|17.680871|12.662709|7.405183|13.443728|4.716668|0.114057|4.158830|3.164262|2.676866|2.529868|2.151294|1.947638|1.991468|2.304085|3.219707|0.059860|2.848794|5.441667|4.050392|7.780123|3.365564|5.505944|4.212920|3.346050|3.336941|31.262774|0.072575|0.078027|0.078222|0.101823|0.087153|0.095923|0.128549|0.114864|0.202947|0.253050|0.119308|0.120344|0.301757|0.500000| |2.182054|2.594451|2.761085|3.395392|5.844537|0.116181|3.788807|2.958232|6.107860|0.148844|9.049834|26.118359|9.279299|10.864502|7.159158|0.177719|7.350497|4.687892|3.865857|3.717102|2.961466|2.554277|2.569758|3.058281|4.111685|0.073338|3.722220|6.462932|4.189214|7.970743|3.210803|5.928544|4.824016|4.133791|4.257265|38.454469|0.056102|0.057524|0.060124|0.070070|0.068696|0.075577|0.091489|0.095179|0.101716|0.116004|0.081092|0.075799|0.233315|0.186628|0.500000| |1.747647|2.009079|2.112082|2.488356|3.937407|0.078444|2.667460|2.217034|3.682651|0.098534|4.510668|9.100253|6.494635|8.248967|8.813368|0.224607|17.549068|9.052702|6.804864|6.088137|4.289484|3.569154|3.630943|4.647316|5.990542|0.100188|5.644573|7.636760|4.593430|8.589694|3.396216|3.751916|3.521311|3.279389|3.292718|25.553686|0.045698|0.046635|0.048093|0.055092|0.054222|0.057797|0.068648|0.070416|0.073733|0.079599|0.060723|0.058349|0.119693|0.111704|0.239674|0.500000| |1.787728|2.057285|2.097683|2.442065|3.936046|0.077356|2.815182|2.319832|3.578053|0.096921|4.700080|9.043568|7.012144|9.156369|8.792837|0.175193|17.659985|9.011713|5.618682|4.448117|3.420035|3.094145|3.346100|4.404580|6.448213|0.109538|7.124015|8.827733|6.180359|13.678355|4.162188|3.340389|3.032713|2.735029|2.746125|22.237059|0.046346|0.048360|0.048890|0.056842|0.053443|0.056878|0.068159|0.066968|0.078919|0.086365|0.062958|0.062339|0.123455|0.126833|0.204630|0.301662|0.500000| |1.502550|1.699034|1.812667|2.107829|3.120001|0.061953|2.088122|1.799088|2.803946|0.078329|3.012269|5.260072|4.108861|6.074099|5.561968|0.192603|6.092206|6.544358|8.695036|17.742582|9.044862|5.582986|4.812422|5.490705|5.832298|0.098036|4.419646|6.197794|3.539838|5.949145|2.919027|3.017958|3.152295|3.119694|2.969967|20.368238|0.040092|0.039962|0.041221|0.047057|0.047894|0.049470|0.058920|0.061127|0.058514|0.059779|0.049055|0.047340|0.079042|0.076356|0.118815|0.194114|0.127013|0.500000| |1.270158|1.407920|1.494721|1.691448|2.433991|0.048649|1.653010|1.467250|2.084631|0.058532|2.174351|3.516347|2.721124|4.319006|3.350122|0.106360|3.548326|4.101921|5.623618|9.051753|17.755063|8.762891|5.588639|4.929335|5.024968|0.090000|3.356477|4.252994|2.622369|4.404538|2.329817|2.233134|2.364730|2.414602|2.307247|15.403368|0.034228|0.033926|0.034902|0.039098|0.040090|0.040932|0.047361|0.049054|0.046367|0.046869|0.040130|0.038925|0.057999|0.056500|0.076804|0.104598|0.083099|0.216058|0.500000| |1.130981|1.240619|1.294238|1.440067|2.074386|0.041451|1.444714|1.297156|1.735655|0.048810|1.836524|2.903074|2.264883|3.677225|2.753243|0.081654|2.980998|3.680862|4.949703|5.652313|8.784028|17.725041|9.096779|5.700205|5.718956|0.108591|3.398897|3.724250|2.425476|4.118266|2.219837|1.801688|1.861604|1.867180|1.810547|12.469836|0.030467|0.030504|0.031045|0.034578|0.034738|0.035397|0.040477|0.041122|0.040688|0.041208|0.035462|0.034866|0.049318|0.048922|0.062522|0.083179|0.073201|0.124040|0.215558|0.500000| |1.133799|1.243294|1.277224|1.415297|2.065871|0.041158|1.468189|1.315432|1.720153|0.048353|1.868159|2.953810|2.331699|3.793803|2.865290|0.080302|3.219847|4.290693|5.484233|4.813290|5.518335|8.954570|17.752929|8.749344|9.247851|0.193081|4.544954|4.032603|2.748732|4.756970|2.515202|1.735855|1.748939|1.714545|1.679055|11.966613|0.030364|0.030826|0.031063|0.034736|0.034054|0.034834|0.039898|0.039827|0.041512|0.042358|0.035888|0.035722|0.050236|0.050703|0.063246|0.085328|0.081609|0.105172|0.123156|0.216734|0.500000| |1.445094|1.612745|1.627438|1.825569|2.815033|0.056052|2.050996|1.780884|2.391914|0.065700|2.856242|4.710220|3.673024|5.624175|4.570759|0.109267|6.517560|8.903025|6.266213|4.317435|3.583056|3.620190|4.405356|6.352264|12.363377|0.205366|17.534729|6.063367|4.587920|9.559561|3.585821|2.299186|2.173694|2.046762|2.059334|15.866439|0.037860|0.039510|0.039647|0.044735|0.042224|0.044387|0.051080|0.050232|0.057620|0.061730|0.048674|0.048709|0.077695|0.079126|0.103125|0.150119|0.200366|0.108025|0.083576|0.084538|0.110815|0.500000| |1.475583|1.658233|1.665483|1.882330|2.872656|0.056077|2.109578|1.817081|2.456855|0.069529|2.891935|4.791355|4.065817|6.446287|5.336358|0.123090|6.468531|8.841102|6.184689|4.264614|3.544067|3.585180|4.365555|6.281698|12.303362|0.205052|17.605272|8.353494|6.823041|13.509839|5.125246|2.314966|2.216800|2.043289|2.005058|15.341133|0.038798|0.040439|0.040045|0.046640|0.043415|0.044809|0.053636|0.051491|0.060648|0.062732|0.048857|0.049909|0.075698|0.082006|0.099349|0.135655|0.185809|0.106758|0.082738|0.083829|0.110083|0.301857|0.500000| |1.752833|2.036964|2.094083|2.487554|3.682642|0.068510|2.608009|2.165545|3.343572|0.103856|3.632139|6.223126|6.659578|12.026251|9.232918|0.238564|5.689159|5.207077|4.579859|4.179690|3.430852|3.080282|3.180126|3.807949|5.100635|0.090609|4.377551|26.004379|9.465011|10.998064|7.565243|3.101433|3.131730|2.702791|2.467468|18.381306|0.046598|0.047305|0.046592|0.058771|0.055171|0.054644|0.074130|0.068563|0.078523|0.073798|0.056355|0.058187|0.086305|0.101909|0.115087|0.128939|0.136246|0.119920|0.086029|0.074535|0.078122|0.101974|0.134811|0.500000| |1.579589|1.795512|1.788508|2.039909|2.985733|0.056066|2.221163|1.908595|2.527228|0.076841|2.757294|4.307071|4.036447|7.701091|4.681109|0.116413|3.868564|3.954080|3.525951|3.076083|2.719838|2.652764|2.878907|3.360133|4.878141|0.092567|4.016538|9.853151|8.830817|10.625628|17.576375|2.304134|2.281898|2.023704|1.895355|14.233469|0.042069|0.043435|0.041819|0.052297|0.047417|0.046672|0.060844|0.055126|0.067338|0.063253|0.049576|0.052747|0.068131|0.081108|0.081312|0.089396|0.103640|0.082967|0.068191|0.065891|0.074656|0.094961|0.136579|0.216605|0.500000| |1.637150|1.856111|1.809022|2.037680|3.040821|0.057226|2.340237|2.013064|2.521298|0.075382|2.843049|4.307115|3.903512|7.492086|4.188521|0.099186|3.699636|3.658826|3.116766|2.669851|2.357363|2.320153|2.554176|3.011161|4.592913|0.089178|3.961447|7.806034|8.974514|13.299916|17.644132|2.237749|2.150064|1.903403|1.817413|14.010314|0.043177|0.045524|0.043329|0.054012|0.047470|0.047268|0.060413|0.054136|0.071088|0.067963|0.052219|0.056605|0.071002|0.086732|0.080872|0.085211|0.106883|0.072347|0.059243|0.057940|0.067272|0.098792|0.140135|0.148996|0.298566|0.500000| |1.820195|2.104108|2.064137|2.376633|3.507241|0.064446|2.676982|2.254928|2.959547|0.092332|3.236441|4.880598|4.691572|10.025016|4.732382|0.114174|3.735343|3.473305|3.015853|2.702650|2.367240|2.255927|2.396337|2.779980|4.012095|0.076075|3.424286|9.082768|9.000374|11.415230|17.549524|2.576064|2.501810|2.154697|2.013270|15.476802|0.048168|0.050245|0.047644|0.062170|0.054306|0.053070|0.072248|0.062889|0.083775|0.075945|0.057462|0.062758|0.077807|0.099333|0.088065|0.087595|0.104025|0.075590|0.060486|0.056518|0.062063|0.085338|0.112757|0.195627|0.301027|0.300585|0.500000| |2.536601|3.109792|3.768295|5.256288|6.780009|0.124112|3.735312|3.071185|6.661406|0.207880|4.723455|6.467371|4.567926|8.145405|3.811114|0.118044|3.158605|2.634793|2.511463|2.682261|2.354669|2.024730|1.938124|2.119702|2.745000|0.050826|2.232764|4.416824|2.811613|4.720465|2.520088|8.912442|17.723961|8.594799|5.736720|37.655329|0.068513|0.063823|0.068003|0.086365|0.100477|0.097870|0.149387|0.177965|0.105223|0.095095|0.080628|0.074805|0.112682|0.111929|0.119835|0.092534|0.081379|0.086351|0.065645|0.051881|0.048691|0.059150|0.061768|0.093835|0.067332|0.062316|0.074402|0.500000| |2.110314|2.428921|2.925862|3.553332|4.673146|0.095459|2.714099|2.398580|4.027254|0.108554|3.341033|4.702192|3.183516|5.324571|2.952297|0.092442|2.695790|2.349700|2.335247|2.603945|2.360565|2.003561|1.868295|1.988193|2.522575|0.046928|1.993537|3.429820|2.202812|3.778719|1.979973|5.713869|8.582249|17.760678|8.924275|37.699257|0.057603|0.053194|0.058536|0.065349|0.079661|0.081755|0.093453|0.120407|0.073120|0.071789|0.066130|0.059220|0.088548|0.079607|0.096940|0.082749|0.068991|0.084729|0.068193|0.052144|0.046961|0.053456|0.053644|0.071346|0.053900|0.050064|0.056571|0.201724|0.500000| |2.127280|2.399236|2.850804|3.286804|4.666895|0.103655|2.730398|2.459867|3.831414|0.094142|3.413520|4.644472|2.915707|4.721099|2.686289|0.080071|2.638290|2.281390|2.231080|2.427477|2.192971|1.891177|1.788115|1.915500|2.462548|0.045995|1.961612|3.071802|2.033137|3.620062|1.800026|5.404891|5.686107|8.761683|17.787055|55.449344|0.056901|0.053651|0.060985|0.062260|0.074793|0.084513|0.081678|0.107021|0.070178|0.074767|0.070955|0.060496|0.098676|0.079710|0.101456|0.083480|0.069654|0.077620|0.062426|0.049155|0.045199|0.054132|0.052055|0.061562|0.048333|0.046442|0.050707|0.122542|0.203496|0.500000| 1729.483802 -10823.096085 4165.173182 -209.833130 -5138.272231 3407.170998 -1731.101233 2.000935 40B5480000000007 4491D06A0B42A5C4 4412B0B2682459FC 4272F1C83DC7FFFE 4065000000000000 4431F072D88D7F3F