Version2.0 2020-07-17T17:45:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(C)(C)NC(=O)[C@H](c1ccc(cc1)F)N(Cc2ccccc2)C(=O)CCC(=O)Nc3nccs3 C13501841 RHF 6-31G(d) (6D,7F) CCC(C)(C)NC(=O)[C@H](c1ccc(cc1)F)N(Cc2ccccc2)C(=O)CCC(=O)Nc3nccs3 C01[X(C27H31F1N4O3S1)] 195 C1 606 CCC(NC(=O)[C@@H](N(C(=O)CCC(=O)Nc1nccs1)Cc1ccccc1)c1ccc(cc1)F)(C)C CCC(NC(=O)[C@@H](N(C(=O)CCC(=O)Nc1nccs1)Cc1ccccc1)c1ccc(cc1)F)(C)C CCC(C)(C)NC(=O)[C@@H](N(Cc1ccccc1)C(=O)CCC(=O)Nc2sccn2)c3ccc(F)cc3 InChIKey=VCRYOPGIIOEOGH-DEOSSOPVSA-N InChI=1S/C27H31FN4O3S/c1-4-27(2,3)31-25(35)24(20-10-12-21(28)13-11-20)32(18-19-8-6-5-7-9-19)23(34)15-14-22(33)30-26-29-16-17-36-26/h5-13,16-17,24H,4,14-15,18H2,1-3H3,(H,31,35)(H,29,30,33)/t24-/m0/s1 InChI=1/C27H31FN4O3S/c1-4-27(2,3)31-25(35)24(20-10-12-21(28)13-11-20)32(18-19-8-6-5-7-9-19)23(34)15-14-22(33)30-26-29-16-17-36-26/h5-13,16-17,24H,4,14-15,18H2,1-3H3,(H,31,35)(H,29,30,33)/t24-/m0/s1/f/h30-31H CCC(C)(C)NC(=O)[C@H](c1ccc(cc1)F)N(Cc2ccccc2)C(=O)CCC(=O)Nc3nccs3 C01[X(C27H31F1N4O3S1)] 195 C01 606 CCC(NC(=O)[C@@H](N(C(=O)CCC(=O)Nc1nccs1)Cc1ccccc1)c1ccc(cc1)F)(C)C CCC([NH][C](=O)[C@@H](N(C(=O)CCC(=O)N[C]1SC=[CH][N]=1)C[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][C]([CH][CH]1)F)(C)C CCC(C)(C)NC(=O)[C@H]([C]1[CH][CH][C](F)[CH][CH]1)N(C[C]2[CH][CH][CH][CH][CH]2)C(=O)CCC(=O)Nc3sccn3 InChIKey=VCRYOPGIIOEOGH-DEOSSOPVSA-N InChI=1S/C27H31FN4O3S/c1-4-27(2,3)31-25(35)24(20-10-12-21(28)13-11-20)32(18-19-8-6-5-7-9-19)23(34)15-14-22(33)30-26-29-16-17-36-26/h5-13,16-17,24H,4,14-15,18H2,1-3H3,(H,31,35)(H,29,30,33)/t24-/m0/s1 InChI=1/C27H31FN4O3S/c1-4-27(2,3)31-25(35)24(20-10-12-21(28)13-11-20)32(18-19-8-6-5-7-9-19)23(34)15-14-22(33)30-26-29-16-17-36-26/h5-13,16-17,24H,4,14-15,18H2,1-3H3,(H,31,35)(H,29,30,33)/t24-/m0/s1/f/h30-31H 3950.3344574835 -1979.8769696 1-A 26478.9017 135 471 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97698 -26.31391 -20.55133 -20.53467 -20.53292 -15.61997 -15.59930 -15.59257 -15.55906 -11.37145 -11.35792 -11.35686 -11.34952 -11.33048 -11.28719 -11.28523 -11.26966 -11.26188 -11.25385 -11.25216 -11.25091 -11.24960 -11.24932 -11.24476 -11.24308 -11.24192 -11.23668 -11.23616 -11.22797 -11.22723 -11.22661 -11.22567 -11.22412 -11.22234 -11.21226 -11.21203 -8.98695 -6.66924 -6.66829 -6.66649 -1.63196 -1.42168 -1.40586 -1.39869 -1.31771 -1.25830 -1.24917 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745.49 778.88 802.97 810.14 856.78 870.05 890.13 902.42 927.35 974.86 976.01 987.23 1002.65 1014.72 1026.13 1075.54 1101.67 1112.41 1130.12 1145.65 1178.02 1188.72 1189.81 1225.73 1241.37 1264.97 1272.46 1291.14 1300.75 1327.46 1355.86 1372.40 1374.01 1376.97 1379.44 1407.70 1464.63 1471.84 1497.06 1498.98 1542.03 1549.55 1561.45 1569.19 1576.49 1580.67 1587.26 1600.03 1606.75 1612.17 1618.93 1629.55 1634.39 1652.31 1693.19 1693.35 1706.95 1710.13 1713.07 1717.23 1758.01 1818.68 1833.62 1853.98 1858.17 1862.96 1879.36 1885.38 1902.18 1907.67 1921.81 1927.48 1945.35 1952.12 1971.26 2001.95 2022.39 2046.68 2071.09 2083.53 2091.51 2100.40 2126.68 2133.78 2144.06 2176.19 2183.06 2239.67 2240.54 2258.95 2259.90 2269.29 2293.19 2315.07 2318.21 2324.71 2335.34 2341.07 2352.67 2357.90 2366.04 2368.60 2377.21 2381.95 2388.05 2402.90 2406.82 2441.16 2456.59 2480.42 2542.43 2569.82 2575.71 2607.09 2619.72 2731.10 2765.86 2841.15 4582.96 4622.53 4626.73 4630.61 4635.48 4647.13 4658.35 4701.35 4707.86 4710.32 4716.99 4725.22 4735.62 4767.70 4779.43 4785.07 4819.93 4821.50 4832.18 4832.55 4848.79 4851.54 4871.89 4884.00 4893.08 4908.45 4920.62 4924.01 4975.30 5557.10 5589.07 0.587870 0.621218 0.622162 0.514455 -1979.289100 -1979.255751 -1979.254807 -1979.362515 3.612544D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE CCC(C)(C)NC(=O)[C@H](c1ccc(cc1)F)N(Cc2ccccc2)C(=O)CCC(=O)Nc3nccs3 C13501841 RHF 6-31G(d) (6D,10F) C1 510.210091 |X|Y|Z| 68.479426 55.436027 136.807565 80.381130 25 6 7 16 21 3 1 |36.858105| |12.459829|36.858105| |7.287173|12.341011|36.858105| |6.084857|7.506059|12.420568|36.858105| |6.085214|7.508540|12.422260|7.549302|36.858105| |4.991551|7.979975|12.894626|7.736464|7.739579|53.358707| |3.757737|5.142744|7.542817|6.141382|6.163752|19.302733|36.858105| |3.447611|4.373380|6.529958|6.106281|6.119003|11.500203|15.781615|73.516695| |3.070616|4.036442|4.949418|4.235518|4.274177|10.737220|12.433116|14.123934|36.858105| |3.191169|4.286679|4.873171|4.104345|4.006165|10.616172|8.967186|10.525380|17.737522|0.500000| |2.744182|3.467828|4.073361|3.408049|3.908068|7.748504|7.495639|10.705174|12.465526|0.251055|36.858105| |2.442037|3.011897|3.308719|2.821774|3.155208|5.920676|5.041324|7.487282|7.614133|0.204246|13.665089|36.858105| |2.183629|2.605158|2.809911|2.418349|2.790179|4.712895|3.868909|6.109012|5.022195|0.134138|7.870976|13.788200|36.858105| |2.151664|2.526718|2.772494|2.383158|2.880493|4.503928|3.724569|6.153965|4.438345|0.112802|6.888522|8.027949|13.806022|36.858105| |2.341822|2.766324|3.160837|2.691957|3.403369|5.133669|4.409998|7.542853|4.956099|0.118205|7.885163|6.887047|7.909881|13.856497|36.858105| |2.667643|3.266941|3.923606|3.283349|4.128936|6.821507|6.450560|10.740633|7.397423|0.158481|13.713692|7.967724|6.865317|8.008811|13.728392|36.858105| |1.921218|2.198492|2.366107|2.065946|2.484904|3.699482|2.972617|5.022039|3.389113|0.088337|4.652601|5.315865|8.165350|14.333913|8.169507|5.305274|97.533100| |2.616633|3.266788|3.910563|3.710204|3.417778|7.341848|7.666950|11.641431|12.977309|0.261520|7.626399|5.952182|4.272265|3.781399|4.087753|5.491216|6.775040|53.358707| |2.323344|2.790586|3.375062|3.304105|3.135981|5.811677|5.980608|11.079950|7.537602|0.157113|6.271452|4.954856|3.935580|3.710647|4.146088|5.400297|6.773513|17.666011|36.858105| |2.194483|2.565211|3.093032|3.232092|2.862547|4.991811|4.786377|9.513183|5.117884|0.118013|4.246672|3.562255|2.995924|2.884530|3.194605|3.912828|5.516793|10.216205|12.534108|36.858105| |1.894069|2.161413|2.529473|2.638094|2.393169|3.945318|3.571842|6.971556|3.840445|0.092694|3.447736|3.055842|2.684269|2.607475|2.825275|3.270553|5.129583|7.016968|7.589793|13.722525|36.858105| |1.775316|1.986214|2.299955|2.461561|2.181223|3.466021|3.018613|5.921600|3.106305|0.077264|2.792986|2.511061|2.247506|2.200734|2.373595|2.691665|4.419688|5.320873|5.017702|7.889246|13.736276|36.858105| |1.873907|2.080961|2.424590|2.688669|2.274076|3.575992|3.063908|6.089377|3.014123|0.075733|2.635486|2.342073|2.083245|2.042680|2.219381|2.541340|4.103012|5.020401|4.418996|6.822797|7.941760|13.773453|36.858105| |2.164186|2.434667|2.908859|3.330920|2.666285|4.302303|3.735085|7.581959|3.526887|0.087802|2.944868|2.547402|2.218435|2.167203|2.384934|2.809576|4.291601|5.882521|4.993230|7.908901|6.905376|7.962150|13.734628|36.858105| |2.389305|2.779019|3.418147|3.809013|3.083359|5.335716|4.971251|10.269052|4.727780|0.112592|3.742288|3.118974|2.633448|2.551145|2.843459|3.486857|4.930934|8.456338|7.479914|13.693439|7.967822|6.879111|7.919751|13.764612|36.858105| |2.442388|3.005698|3.389044|3.276491|2.906194|6.076709|5.414268|8.227440|7.915979|0.225388|5.557409|5.174187|3.835512|3.271919|3.341573|4.128452|6.062382|18.956787|7.641354|5.933750|4.589466|3.647058|3.452333|3.930178|5.179890|36.858105| |2.577946|3.215022|3.465426|3.277529|2.894130|6.248499|5.059637|7.325215|7.116020|0.252039|5.124960|5.069829|3.754741|3.131502|3.126392|3.780536|5.855056|11.505706|5.293462|4.374292|3.566349|2.994229|2.908644|3.301016|4.112175|15.778009|73.516695| |2.074744|2.455470|2.729062|2.729367|2.411712|4.556747|3.935273|6.500277|5.011668|0.137112|4.099620|3.986290|3.223580|2.817253|2.841869|3.330275|5.410002|10.469453|6.594848|6.106986|5.312963|4.215417|3.819950|4.089009|5.050968|12.544842|14.322023|36.858105| |1.927362|2.247857|2.405186|2.402244|2.120497|3.908481|3.178076|5.192253|3.892330|0.113619|3.327871|3.409884|2.854033|2.470094|2.428170|2.748922|4.860598|6.871675|4.338514|4.144990|3.859549|3.341361|3.114837|3.260831|3.729044|7.596527|12.564368|12.501385|36.858105| |1.681419|1.917067|2.044987|2.064403|1.842391|3.221389|2.604924|4.394423|3.059906|0.086760|2.740385|2.813330|2.464283|2.182172|2.140116|2.360900|4.396098|5.210636|3.622059|3.653155|3.694214|3.336607|3.043353|3.021760|3.274326|4.941761|8.064306|7.578238|12.578532|36.858105| |1.594722|1.807773|1.949137|1.969534|1.784911|3.051412|2.504334|4.312489|2.921807|0.080492|2.681154|2.735862|2.438603|2.190685|2.155249|2.355951|4.440868|5.010168|3.716335|3.825537|4.119109|3.712727|3.235801|3.089109|3.306815|4.447494|6.933737|6.785489|7.949832|15.915984|73.516695| |1.583988|1.783714|1.868694|1.893799|1.682290|2.889705|2.276379|3.834938|2.604651|0.075050|2.350897|2.425936|2.160677|1.925067|1.881054|2.051530|3.931137|4.220468|2.906435|2.949437|2.971575|2.792052|2.627171|2.612896|2.754498|3.873422|6.750243|5.118266|7.867591|13.935863|15.096179|53.358707| |1.423752|1.581376|1.650874|1.677971|1.505179|2.510535|1.967037|3.357181|2.207418|0.062938|2.033760|2.097461|1.910698|1.726570|1.685986|1.812663|3.577703|3.498682|2.479714|2.548169|2.636834|2.546942|2.393968|2.327841|2.393301|3.054634|5.299201|3.850203|5.070057|7.750968|11.970559|18.759643|36.858105| |1.359398|1.497052|1.544730|1.571414|1.408415|2.323360|1.793374|3.054851|1.985898|0.057070|1.835490|1.895106|1.739128|1.577602|1.538871|1.645940|3.291535|3.072020|2.159094|2.210760|2.261328|2.207869|2.115113|2.074175|2.116281|2.645716|4.704104|3.166598|4.049754|5.304287|8.267379|11.261671|14.911409|53.358707| |1.241693|1.355722|1.399803|1.425426|1.289593|2.085528|1.609772|2.767994|1.764579|0.050236|1.652287|1.702463|1.583946|1.452278|1.417623|1.502482|3.059033|2.704446|1.936177|1.994031|2.071287|2.050877|1.959155|1.893895|1.908423|2.268033|3.991765|2.673908|3.224823|4.107962|6.956357|7.429399|8.735264|18.825509|36.858105| |1.210778|1.322284|1.376992|1.402307|1.278093|2.053121|1.600457|2.775202|1.756050|0.049410|1.657277|1.703548|1.593978|1.470026|1.436943|1.517411|3.104629|2.712142|1.981044|2.054820|2.180784|2.171912|2.041162|1.937300|1.942174|2.246293|3.874425|2.686805|3.141349|4.116202|7.493233|6.862048|7.908935|11.265187|14.252256|36.858105| |1.317593|1.454715|1.533081|1.559362|1.419855|2.316692|1.835167|3.185407|2.045067|0.057097|1.921311|1.972442|1.827327|1.675424|1.639837|1.744466|3.504010|3.245195|2.395961|2.496493|2.694439|2.645439|2.421259|2.275348|2.304295|2.723254|4.579520|3.432130|4.048569|5.956679|11.867976|9.385036|10.972405|10.111612|7.537281|10.971018|388.023441| |17.557427|8.860914|5.400613|4.650477|4.650749|5.715634|3.255330|5.261544|2.787502|0.081978|2.526393|2.307304|2.081844|2.034305|2.173208|2.432384|4.125873|3.265964|2.124435|2.003495|1.748782|1.642753|1.724288|1.967496|2.156664|2.286100|4.350682|1.957472|1.848865|1.618138|2.716990|2.093345|1.386282|1.812904|1.217073|1.181716|9.086074|0.500000| |17.576216|8.731787|6.543821|5.369065|6.668992|6.165104|3.551186|5.955662|2.897335|0.081853|2.669524|2.367624|2.152444|2.160491|2.375428|2.671719|4.373286|3.355814|2.234530|2.106262|1.830924|1.717378|1.804752|2.067417|2.274049|2.270458|4.197287|1.945386|1.797587|1.582407|2.690987|2.024109|1.344534|1.745323|1.177805|1.153856|8.926250|0.302790|0.500000| |17.576328|8.731973|6.544676|6.669700|5.369212|6.165424|3.548554|5.953462|2.889167|0.082601|2.542920|2.259639|2.018664|1.988684|2.166057|2.470849|4.008962|3.452046|2.274871|2.197479|1.900806|1.802973|1.929096|2.242849|2.438777|2.381022|4.429665|2.049895|1.906002|1.672245|2.820155|2.151306|1.424034|1.853708|1.245266|1.213632|9.372839|0.302792|0.301427|0.500000| |8.900847|17.507274|8.875707|5.501656|6.919810|10.109329|4.945512|7.301592|4.097657|0.122941|3.689441|3.257857|2.839498|2.748566|2.981519|3.474904|5.369039|4.377338|2.737139|2.455671|2.085345|1.898915|1.958191|2.255411|2.586866|2.959306|5.682541|2.404496|2.211910|1.885452|3.165134|2.385864|1.555393|2.004222|1.334786|1.302728|10.189308|0.216188|0.211002|0.173022|0.500000| |8.903164|17.505285|8.874180|6.915768|5.502270|10.106117|4.936926|7.295751|4.073772|0.125472|3.376043|2.993272|2.552772|2.419629|2.597236|3.065392|4.736343|4.595353|2.811368|2.602412|2.189471|2.015646|2.118774|2.487134|2.835480|3.215357|6.298056|2.609105|2.422347|2.041972|3.379707|2.600703|1.681432|2.172275|1.434770|1.390032|10.864273|0.216271|0.173041|0.211047|0.303136|0.500000| |6.676563|6.731127|8.782459|17.574091|6.903728|7.607128|4.634293|8.432281|3.435289|0.093059|2.903696|2.462946|2.162603|2.153569|2.419183|2.861404|4.273404|4.178675|2.813290|2.791968|2.348325|2.231954|2.447384|2.966583|3.255537|2.763826|4.927578|2.371223|2.123697|1.858320|3.165885|2.346015|1.544736|1.983286|1.331146|1.309455|10.259778|0.137292|0.168585|0.228278|0.138573|0.166249|0.500000| |4.598517|5.477952|8.805494|17.627535|6.861312|9.559981|6.669589|13.595845|4.437823|0.113476|3.546114|2.871656|2.458989|2.447680|2.811010|3.478951|4.754990|5.474498|3.719536|3.734652|2.986469|2.785742|3.085024|3.940771|4.575759|3.429792|5.863222|2.886719|2.477045|2.140617|3.671022|2.641914|1.720880|2.176396|1.453770|1.440383|11.480041|0.102919|0.119640|0.136578|0.123593|0.142383|0.302069|0.500000| |5.599283|6.948197|8.785834|17.544741|5.488799|9.535913|5.612725|9.369505|4.172292|0.116827|3.261104|2.764878|2.347634|2.266935|2.504481|3.030938|4.430591|5.142501|3.267788|3.239733|2.645630|2.482407|2.732495|3.408365|3.867422|3.477233|6.319888|2.892739|2.580701|2.195323|3.673508|2.758162|1.782534|2.278018|1.507225|1.472674|11.630815|0.126347|0.129582|0.175284|0.142288|0.210574|0.300868|0.300752|0.500000| |5.599474|6.950912|8.786195|5.488677|17.545669|9.540583|5.641754|9.394330|4.235796|0.111951|4.122512|3.372715|3.030930|3.165621|3.745977|4.443159|6.136612|4.483049|3.003412|2.670906|2.260898|2.044120|2.094928|2.408954|2.787044|2.819396|5.048213|2.332324|2.067399|1.796562|3.095043|2.235506|1.471411|1.876295|1.263431|1.251970|9.875444|0.126353|0.175248|0.129583|0.210741|0.142320|0.141011|0.140140|0.122875|0.500000| |4.598673|5.478040|8.802612|6.859861|17.627729|9.558086|6.695228|13.633704|4.481876|0.110678|4.138821|3.236155|2.866102|3.016649|3.688171|4.582527|5.816627|4.964237|3.477702|3.181976|2.635923|2.388531|2.487244|2.931851|3.429115|3.001481|5.153373|2.509557|2.164221|1.890132|3.288685|2.327209|1.531498|1.938341|1.307003|1.303453|10.362751|0.102922|0.136584|0.119643|0.142419|0.123571|0.170053|0.204102|0.140112|0.300768|0.500000| |6.679337|6.735213|8.786332|6.905883|17.575744|7.609968|4.644326|8.443214|3.456223|0.091549|3.198486|2.678130|2.419611|2.504289|2.903245|3.377613|4.980666|3.942415|2.706242|2.540939|2.168826|2.014613|2.119524|2.463931|2.762796|2.528390|4.490518|2.151935|1.919686|1.689888|2.914694|2.120722|1.405489|1.800911|1.217464|1.205635|9.451318|0.137334|0.228354|0.168631|0.166362|0.138621|0.207446|0.170085|0.141047|0.300857|0.302168|0.500000| |4.876874|8.009990|9.012686|6.035541|5.982411|26.086291|9.533294|10.902397|7.711951|0.255752|5.663938|4.625129|3.615820|3.331376|3.639826|4.675651|6.160487|7.105009|3.962321|3.365991|2.713505|2.384466|2.435582|2.875473|3.511586|4.618915|9.051646|3.394126|2.990298|2.428348|4.033427|2.984921|1.893206|2.393846|1.569467|1.534887|12.279187|0.119907|0.119581|0.119981|0.228278|0.230971|0.130288|0.148102|0.167274|0.164782|0.146997|0.129604|0.500000| |2.401779|2.966072|3.172200|2.749707|2.919074|5.676243|4.656274|6.806979|7.145867|0.222074|8.906574|17.707961|8.964335|5.690601|4.958578|5.658025|9.625103|8.216153|4.687685|3.471726|2.992328|2.477101|2.318732|2.520912|3.066958|5.916650|11.083950|4.435984|3.920811|3.128431|5.277582|3.667944|2.290893|2.812829|1.833789|1.819804|15.022614|0.063747|0.063693|0.062030|0.088529|0.084231|0.066591|0.076824|0.076693|0.085415|0.081740|0.069679|0.128160|0.500000| |2.007108|2.358038|2.482813|2.166353|2.447275|4.067227|3.243641|5.164378|4.095224|0.114002|5.601766|8.860725|17.741447|8.951422|5.648140|4.950120|16.703019|4.970946|3.370516|2.662087|2.438369|2.071082|1.918423|2.021017|2.356359|3.459868|6.159126|3.006364|2.760055|2.416409|4.240742|2.917869|1.907975|2.375039|1.592745|1.600199|12.967594|0.053821|0.054819|0.051689|0.071336|0.064841|0.054361|0.060731|0.059024|0.073508|0.069038|0.059980|0.087781|0.214139|0.500000| |2.235745|2.577482|2.943284|2.540541|3.283163|4.565131|3.837331|6.862218|4.032898|0.097532|5.611587|4.961411|5.647297|8.972388|17.741730|8.853091|16.707224|4.700878|3.611143|2.919331|2.632992|2.253697|2.116390|2.256241|2.636664|2.868652|4.775526|2.506462|2.163017|1.939915|3.495563|2.340975|1.558289|1.944808|1.326243|1.348111|10.867961|0.057546|0.063933|0.057670|0.076638|0.066517|0.064509|0.074042|0.064990|0.100368|0.100159|0.079340|0.088556|0.107656|0.124645|0.500000| |2.822257|3.436022|4.352786|3.669694|4.809539|7.315647|7.236769|13.716367|6.803347|0.143102|8.904693|5.653568|4.950911|5.691872|8.961539|17.753257|9.625030|7.131437|5.413182|4.114099|3.380033|2.812257|2.698975|3.031700|3.780766|3.869432|6.232223|3.169320|2.600542|2.253296|4.009691|2.676596|1.745825|2.162695|1.455183|1.471130|11.989771|0.070107|0.079362|0.073181|0.099091|0.087813|0.088534|0.111272|0.091276|0.139475|0.159136|0.107255|0.130150|0.124151|0.107527|0.214549|0.500000| |2.425255|2.914566|3.626674|3.475548|3.508143|6.206391|6.713281|13.685649|7.632799|0.150327|7.033298|5.061875|4.118131|4.099366|4.915893|6.820066|7.361522|12.661047|17.697847|9.003664|6.180700|4.435628|4.022086|4.570283|6.549052|5.730074|7.886369|4.838640|3.514995|3.010988|5.485813|3.401992|2.176044|2.620302|1.745873|1.784972|15.059708|0.060970|0.065716|0.065524|0.079842|0.079487|0.082306|0.110501|0.092122|0.093475|0.111871|0.082871|0.113397|0.124656|0.095226|0.119504|0.204292|0.500000| |2.087548|2.470465|2.890723|2.796928|2.733987|4.862721|4.669964|8.399333|6.057756|0.136060|5.832521|5.093029|4.189856|3.897338|4.174671|5.071999|7.173351|12.336878|17.563195|8.910709|7.404706|4.813756|3.996038|4.191743|5.579464|6.834625|8.680316|6.681214|4.461456|3.843099|7.263867|4.112760|2.591269|3.035527|2.007914|2.076599|18.128456|0.053702|0.056057|0.056540|0.068316|0.069178|0.067622|0.085464|0.077085|0.074235|0.083074|0.066448|0.094953|0.134291|0.100971|0.100544|0.133371|0.305042|0.500000| |1.778557|2.026072|2.337671|2.381407|2.237217|3.661742|3.284168|6.259006|3.662621|0.088995|3.456493|3.154950|2.823341|2.739118|2.917631|3.290226|5.422430|6.567405|7.068327|8.911105|17.698148|8.939072|5.654782|4.967392|5.653690|4.377823|6.099905|5.182785|3.839071|3.773277|7.785424|4.080146|2.683921|3.106577|2.103779|2.241430|19.957304|0.045933|0.047962|0.049175|0.055021|0.056857|0.059283|0.073594|0.066083|0.059667|0.068051|0.056318|0.070932|0.085517|0.071706|0.075361|0.092039|0.162180|0.229455|0.500000| |1.614054|1.787555|2.038821|2.162736|1.952442|3.042684|2.600006|5.031716|2.694818|0.067979|2.489286|2.286298|2.085866|2.049767|2.184782|2.419323|4.178711|4.487548|4.101575|5.629531|8.922080|17.715949|8.912460|5.651368|4.955118|3.145404|4.700748|3.674134|3.049360|3.168730|6.435027|3.664007|2.521403|2.976233|2.065084|2.222714|19.259958|0.041767|0.043540|0.045468|0.047762|0.050321|0.055167|0.067016|0.060508|0.051267|0.058993|0.050496|0.058702|0.062744|0.053996|0.058097|0.069530|0.102973|0.114720|0.216302|0.500000| |1.751844|1.914918|2.199164|2.453385|2.074889|3.177892|2.652125|5.218332|2.588971|0.066135|2.297043|2.068932|1.864271|1.834380|1.980366|2.231596|3.729343|4.172596|3.536771|4.925665|5.643853|8.911770|17.714420|8.898614|5.636773|2.927495|4.515906|3.227400|2.755268|2.751644|5.188914|3.323094|2.272005|2.766073|1.905769|1.989697|16.494820|0.044986|0.046964|0.050396|0.049992|0.054162|0.063190|0.077238|0.069403|0.053157|0.062533|0.054465|0.060487|0.057047|0.048102|0.052914|0.065676|0.091406|0.090908|0.124277|0.214460|0.500000| |2.241005|2.483747|2.956053|3.526546|2.686921|4.223724|3.530227|7.125448|3.219237|0.081811|2.685815|2.333904|2.043681|2.001279|2.199958|2.575473|3.989348|5.108496|4.073963|5.636974|4.968232|5.655348|8.910432|17.710057|8.938651|3.476360|5.405856|3.521292|2.937432|2.721080|4.854690|3.292819|2.172351|2.677984|1.801355|1.825978|14.948842|0.056398|0.059237|0.065570|0.062965|0.070678|0.088565|0.116379|0.101347|0.066538|0.081319|0.070079|0.078169|0.064350|0.051957|0.058190|0.077571|0.106856|0.096258|0.107759|0.124147|0.214599|0.500000| |2.758333|3.281756|4.195302|4.824861|3.635596|6.645096|6.323514|13.279525|5.468212|0.129509|4.052470|3.282647|2.722024|2.629495|2.959876|3.727471|5.032465|9.144403|6.924044|8.918122|5.662143|4.959322|5.645569|8.938417|17.767836|5.399268|7.899193|4.748143|3.603025|3.062416|5.342738|3.570401|2.266004|2.762865|1.821838|1.831694|15.226005|0.068150|0.072169|0.078447|0.083252|0.093254|0.109525|0.167356|0.136736|0.089154|0.112312|0.089015|0.117487|0.089604|0.067123|0.075746|0.114066|0.179317|0.140039|0.124247|0.107630|0.124168|0.216105|0.500000| |2.066521|2.419830|2.725454|2.818171|2.406486|4.443586|3.849442|6.614209|4.539660|0.120707|3.666052|3.427383|2.835938|2.559414|2.640886|3.103150|4.965864|9.304876|6.526745|7.319010|6.363407|5.154046|4.741576|5.110761|6.256158|8.907062|11.122774|17.611426|8.848595|6.805796|11.448255|6.582823|3.760709|4.227023|2.651553|2.682309|24.323370|0.053807|0.053827|0.057454|0.064742|0.071307|0.068116|0.084257|0.083408|0.063605|0.070153|0.060107|0.089693|0.102056|0.073104|0.065869|0.084649|0.133426|0.171360|0.158598|0.120007|0.108266|0.118508|0.153912|0.500000| |1.933380|2.267601|2.527937|2.498742|2.296842|4.180898|3.658115|6.186138|4.692084|0.123479|4.155687|4.126478|3.419208|2.996011|2.992952|3.440175|5.768300|9.509268|7.028603|6.190349|5.857240|4.406285|3.755476|3.841224|4.681427|8.873027|10.922969|17.604702|8.873599|7.083223|13.220889|6.429489|3.729769|4.130769|2.622280|2.699856|25.029367|0.050690|0.050961|0.052814|0.062334|0.065791|0.060941|0.073888|0.072010|0.062273|0.067057|0.057002|0.085707|0.124572|0.088772|0.073248|0.089768|0.141524|0.232137|0.174274|0.109011|0.088021|0.090519|0.118338|0.306332|0.500000| |1.912132|2.237625|2.358440|2.300915|2.089779|3.858589|3.094660|4.963272|3.892197|0.117054|3.442891|3.702744|3.100384|2.611006|2.505158|2.798214|5.139750|6.497254|4.007283|3.625184|3.367795|2.903401|2.700637|2.828475|3.246773|7.030611|13.015482|8.828855|17.552602|9.019184|11.468628|9.249967|4.655200|5.243662|3.091586|2.985525|26.570141|0.051333|0.049610|0.051980|0.062106|0.066919|0.056678|0.065119|0.068186|0.057375|0.058792|0.052428|0.083610|0.123183|0.084910|0.061435|0.072039|0.092677|0.116983|0.095247|0.074530|0.066981|0.071559|0.088877|0.173424|0.208439|0.500000| |2.013601|2.346178|2.480354|2.510941|2.146581|3.992283|3.159535|5.121994|3.735375|0.111869|3.106546|3.128601|2.618615|2.287892|2.269575|2.582552|4.517568|6.331786|3.890333|3.823015|3.484239|3.120955|3.030074|3.247252|3.654695|6.847511|12.691390|8.826913|17.586844|8.875114|10.605735|10.103921|4.847759|5.555551|3.195538|3.018410|26.362519|0.053838|0.051623|0.055683|0.063463|0.071443|0.061626|0.071123|0.076499|0.057727|0.060242|0.054247|0.085514|0.099489|0.070207|0.056513|0.068711|0.089820|0.106158|0.093263|0.078691|0.075360|0.083357|0.100703|0.212838|0.173706|0.305417|0.500000| |1.636374|1.844075|1.909334|1.932923|1.702468|2.948871|2.286836|3.808555|2.605566|0.076524|2.329018|2.408624|2.133537|1.892022|1.846847|2.019882|3.858653|4.139595|2.770632|2.781377|2.730294|2.567343|2.467390|2.505839|2.652999|3.844945|7.021793|4.776348|7.506562|9.276693|10.837373|26.013848|9.526458|10.705057|5.048815|4.372719|37.399986|0.044362|0.042416|0.045360|0.050304|0.055401|0.048867|0.054477|0.057973|0.046192|0.047669|0.043849|0.062796|0.075055|0.058909|0.046834|0.053764|0.066791|0.078620|0.075501|0.068067|0.063884|0.065388|0.071587|0.124344|0.117811|0.190020|0.227963|0.500000| |1.187853|1.288947|1.322208|1.346571|1.219898|1.955780|1.497540|2.574275|1.628553|0.046497|1.529107|1.575261|1.472658|1.354893|1.322436|1.396815|2.866692|2.463400|1.757784|1.805530|1.862923|1.851706|1.786248|1.735870|1.743838|2.047788|3.639365|2.357613|2.799439|3.392924|5.721729|5.906680|6.016931|12.286605|17.773377|8.881945|37.882297|0.032463|0.031307|0.033121|0.035261|0.037898|0.035106|0.037986|0.039556|0.033230|0.034227|0.032121|0.040937|0.047018|0.041221|0.034479|0.037641|0.044424|0.050339|0.052337|0.051741|0.048556|0.046264|0.046567|0.064996|0.063969|0.075420|0.078233|0.117441|0.500000| 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