Version2.0 2020-01-31T12:05:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 20-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(sc1)CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c4ccc(cc4)S(=O)(=O)NC5CCCCC5 C00933341 RHF 6-31G(d) (6D,7F) c1cc(sc1)CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c4ccc(cc4)S(=O)(=O)NC5CCCCC5 C01[X(C25H28N2O6S3)] 186 C1 608 O=S(=O)(c1ccc(cc1)S(=O)(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cccs1 O=S(=O)(c1ccc(cc1)S(=O)(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cccs1 O=[S](=O)(NC1CCCCC1)c2ccc(cc2)[S](=O)(=O)N(Cc3sccc3)Cc4ccc5OCOc5c4 InChIKey=HFRAHYWFMMCIOD-UHFFFAOYSA-N InChI=1S/C25H28N2O6S3/c28-35(29,26-20-5-2-1-3-6-20)22-9-11-23(12-10-22)36(30,31)27(17-21-7-4-14-34-21)16-19-8-13-24-25(15-19)33-18-32-24/h4,7-15,20,26H,1-3,5-6,16-18H2 InChI=1/C25H28N2O6S3/c28-35(29,26-20-5-2-1-3-6-20)22-9-11-23(12-10-22)36(30,31)27(17-21-7-4-14-34-21)16-19-8-13-24-25(15-19)33-18-32-24/h4,7-15,20,26H,1-3,5-6,16-18H2 c1cc(sc1)CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c4ccc(cc4)S(=O)(=O)NC5CCCCC5 C01[X(C25H28N2O6S3)] 186 C01 608 O=S(=O)(c1ccc(cc1)S(=O)(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cccs1 O[S@](=O)(c1ccc(cc1)S(=O)(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cccs1 O[S](=O)(N(Cc1sccc1)Cc2ccc3OCOc3c2)c4ccc(cc4)[S](=O)(=O)NC5CCCCC5 InChIKey=QPDKYFJPYWZCHL-UHFFFAOYSA-N InChI=1S/C26H25N3O5S2/c1-4-14-29(15-5-2)36(31,32)20-12-10-18(11-13-20)25(30)28-26-27-21(17-35-26)23-16-19-8-7-9-22(33-6-3)24(19)34-23/h4-5,7-13,16-17H,1-2,6,14-15H2,3H3,(H,27,28,30) InChI=1/C26H25N3O5S2/c1-4-14-29(15-5-2)36(31,32)20-12-10-18(11-13-20)25(30)28-26-27-21(17-35-26)23-16-19-8-7-9-22(33-6-3)24(19)34-23/h4-5,7-13,16-17H,1-2,6,14-15H2,3H3,(H,27,28,30)/f/h28H 4523.8487412265 -2713.4364277 1-A 29491.4602 144 464 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.21690 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1.00783 1.00783 1.00783 9596.2507 47864.3222 50212.7619 0.99998 -0.00408 -0.00544 0.00400 0.99989 -0.01423 0.00549 0.01420 0.99988 1 0.00903 0.00181 0.00172 0.18807 0.03771 0.03594 7.83 15.56 18.46 29.10 29.35 41.36 48.37 56.12 82.40 86.50 89.28 126.68 137.02 144.23 162.92 191.03 233.85 258.98 267.15 308.52 322.50 340.30 356.21 364.60 385.41 404.50 430.16 455.12 480.26 488.84 518.92 539.10 572.15 587.41 605.07 641.95 647.76 657.48 673.30 676.06 677.11 684.13 729.11 745.41 753.55 777.08 813.99 843.36 865.45 885.07 905.54 931.40 941.39 947.08 980.50 991.00 1006.69 1032.07 1051.78 1139.02 1144.62 1157.00 1160.65 1170.69 1180.53 1203.49 1234.90 1239.97 1244.82 1296.01 1312.87 1331.39 1357.61 1368.58 1379.04 1386.97 1391.76 1405.36 1417.19 1439.73 1449.99 1454.36 1465.00 1493.86 1516.20 1561.43 1564.08 1592.30 1603.42 1606.65 1616.17 1620.13 1628.78 1647.16 1681.57 1685.64 1703.74 1707.90 1708.84 1726.00 1731.77 1739.66 1742.15 1757.20 1763.81 1812.91 1814.28 1822.75 1829.75 1835.38 1845.97 1881.92 1883.80 1886.36 1898.81 1904.34 1938.23 1985.51 1988.18 2017.58 2027.33 2036.74 2069.37 2083.76 2091.58 2103.20 2104.72 2108.73 2114.97 2152.45 2162.42 2185.47 2187.22 2196.50 2198.27 2199.50 2221.80 2225.78 2228.64 2280.31 2326.89 2329.79 2346.12 2350.18 2354.95 2360.29 2364.07 2364.36 2370.28 2388.55 2396.85 2419.25 2465.39 2540.23 2544.52 2593.11 2610.07 2628.27 4569.04 4581.79 4585.59 4589.81 4594.86 4658.74 4660.71 4664.16 4666.48 4670.35 4673.86 4689.39 4708.23 4717.74 4768.15 4797.43 4813.06 4872.02 4877.75 4880.70 4899.28 4900.67 4901.79 4921.11 4928.10 4942.01 4956.38 5469.30 0.547557 0.578473 0.579417 0.477002 -2712.888871 -2712.857955 -2712.857011 -2712.959426 3.435016D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE c1cc(sc1)CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c4ccc(cc4)S(=O)(=O)NC5CCCCC5 C00933341 RHF 6-31G(d) (6D,10F) C1 548.110952 |X|Y|Z| 58.215159 46.022635 154.868775 74.585970 32 6 7 8 16 25 2 2 3 |36.858105| |13.254715|36.858105| |8.184371|14.136797|36.858105| |7.468498|7.476259|10.961783|388.023441| |14.176747|8.237841|7.665063|78.468866|36.858105| |5.035506|7.475761|12.648363|47.514970|4.802653|36.858105| |4.046420|5.313837|7.561200|39.351024|4.025727|12.997307|53.358707| |3.389370|4.057698|5.538863|36.203496|3.582849|7.534835|17.696285|36.858105| |2.889332|3.415059|4.426054|29.014184|3.019334|6.085507|10.400302|12.554229|36.858105| |2.556428|3.037067|3.717094|23.306219|2.588137|5.111709|8.468240|7.558712|13.744004|36.858105| |2.230785|2.590512|3.059988|19.688625|2.256632|3.949318|5.910380|4.991142|7.842486|13.639478|36.858105| |2.166640|2.463468|2.912917|19.551340|2.230425|3.600903|5.145372|4.470162|6.941153|8.080244|13.923592|36.858105| |2.355970|2.650044|3.215011|22.541372|2.486211|3.893012|5.493761|5.066641|8.049926|6.981591|7.941465|13.827456|36.858105| |2.735030|3.112626|3.964781|28.248035|2.935500|4.917325|7.222090|7.557280|13.590360|7.882066|6.747535|7.932122|13.927031|36.858105| |2.148026|2.354237|2.780095|20.112330|2.283022|3.189192|4.357461|3.830912|5.184630|4.681157|5.398065|8.543464|14.030447|7.751279|73.516695| |1.896255|2.077760|2.392026|16.893535|1.981059|2.745205|3.769820|3.196132|4.213080|4.223563|5.357061|8.606041|8.606975|5.359292|24.042746|36.858105| |1.921327|2.145076|2.468031|16.807623|1.974456|2.927509|4.071989|3.402013|4.664193|5.194326|7.740953|14.033571|8.546812|5.397320|14.921729|13.528603|73.516695| |3.633770|4.625561|5.487894|29.820417|3.466508|7.073676|15.913333|7.109546|5.077464|4.853551|3.614062|3.078903|3.131478|3.793421|4.588254|2.325040|4.502286|388.023441| |2.861669|3.455771|3.996175|23.642054|2.785881|5.077800|10.459104|6.446965|5.133777|5.418031|3.979148|3.245974|3.180345|3.742248|4.615419|2.388231|4.720384|94.612030|73.516695| |3.924339|5.261352|5.580527|27.930572|3.495678|6.800192|10.557447|4.984203|4.031382|3.999065|3.180407|2.744511|2.753027|3.205749|4.136095|2.126680|4.120943|94.738913|13.612954|73.516695| |3.711767|4.315941|4.878526|30.279861|3.661833|5.078419|9.437496|5.617031|3.965027|3.603656|2.851741|2.552773|2.669718|3.224508|4.050005|2.043683|3.839926|76.049625|13.171262|13.012391|36.858105| |3.005083|3.329395|3.740263|25.175046|3.059468|3.923445|7.144858|5.030446|3.697405|3.393252|2.730372|2.457531|2.563983|3.060950|3.919039|1.991114|3.723597|49.400166|11.776945|8.908171|13.712118|36.858105| |2.822419|2.976909|3.235688|22.997610|2.919457|3.215437|5.383430|3.896114|3.022141|2.765476|2.311206|2.132917|2.242473|2.630911|3.515308|1.791955|3.299766|33.625378|7.971009|6.857870|7.965104|13.792370|36.858105| |3.129214|3.182453|3.335540|24.137709|3.233807|3.131870|4.945338|3.446977|2.712402|2.467131|2.092115|1.956083|2.069987|2.415741|3.288476|1.673031|3.056388|29.944096|6.639173|6.580669|6.945715|7.971852|13.733362|36.858105| |3.937186|3.992528|4.050950|28.401445|3.955656|3.620855|5.523842|3.608568|2.807469|2.540606|2.142705|2.000860|2.121714|2.489590|3.361002|1.702303|3.116879|33.592818|6.843128|7.778964|7.966238|6.842977|7.887314|13.772060|36.858105| |4.487781|4.998983|5.211653|32.866776|4.328360|4.745724|7.494357|4.456628|3.325691|3.003228|2.465100|2.262392|2.388777|2.845795|3.709794|1.870826|3.467861|49.402924|8.840588|11.300933|13.769010|7.885512|6.843325|7.969977|13.741972|36.858105| |2.641588|2.582004|2.645906|19.792705|2.761214|2.463151|3.728145|2.673240|2.211554|2.030281|1.771939|1.683657|1.781386|2.034528|2.891331|1.482713|2.679912|21.501800|4.960416|4.922868|4.215546|4.737732|6.967898|10.724090|6.958621|4.730211|388.023441| |2.834781|2.672163|2.657278|20.082682|2.954783|2.396412|3.498050|2.462298|2.059888|1.888169|1.661171|1.589728|1.686835|1.917615|2.760159|1.414411|2.545581|19.771469|4.450677|4.694153|3.722653|3.835053|4.945611|7.383672|6.626700|4.473290|94.625012|73.516695| |2.391542|2.340323|2.453152|18.864706|2.559527|2.314975|3.527813|2.633639|2.202171|2.007086|1.762925|1.691152|1.801622|2.054895|2.942189|1.505857|2.699951|19.694268|4.666996|4.409598|3.701226|4.340927|6.231650|7.295865|5.067346|3.881724|94.650617|13.617549|73.516695| |2.265253|2.256265|2.287517|16.508069|2.304309|2.186913|3.313510|2.359687|1.999308|1.882543|1.659035|1.563495|1.627373|1.828579|2.645169|1.375343|2.505283|19.683114|4.700257|4.588007|3.688988|4.216663|5.844812|7.101149|5.181956|3.943485|82.964181|13.397840|13.895116|53.358707| |2.210948|2.197785|2.173925|15.348831|2.196328|2.070789|3.075716|2.141356|1.838576|1.752343|1.555278|1.461895|1.509871|1.681379|2.461223|1.287803|2.354856|18.458832|4.375313|4.471001|3.334939|3.584433|4.481675|5.417789|4.647312|3.665253|49.864085|11.323913|8.911104|17.656801|36.858105| |2.022197|1.971860|1.933777|13.853006|2.018163|1.825579|2.657520|1.865276|1.627910|1.550588|1.393520|1.322771|1.368942|1.511697|2.255690|1.183377|2.150222|15.487029|3.671135|3.792175|2.687322|2.828747|3.406158|4.038651|3.653040|2.963781|38.672378|10.158988|7.670894|10.394199|12.438111|36.858105| |1.910089|1.865910|1.803196|12.711840|1.873661|1.706264|2.450914|1.701793|1.503142|1.445645|1.308209|1.240059|1.275027|1.396806|2.106472|1.111549|2.025678|14.310544|3.393774|3.586786|2.403133|2.464021|2.829591|3.263603|3.124302|2.650181|27.847896|7.493026|5.739925|6.746667|7.530789|12.435426|36.858105| |1.765204|1.756151|1.706212|11.851792|1.720565|1.643412|2.377349|1.650207|1.468687|1.429343|1.297355|1.222309|1.245974|1.357238|2.054211|1.090980|1.999585|14.063128|3.396721|3.532545|2.320201|2.401350|2.705615|2.983218|2.831050|2.486896|24.025899|6.045886|5.102747|6.011680|6.433217|7.520421|12.444908|36.858105| |1.886936|1.910393|1.864730|12.751129|1.827405|1.815738|2.663133|1.832575|1.618048|1.582896|1.424967|1.329677|1.349588|1.476265|2.206092|1.171300|2.161161|16.178408|3.931695|4.061964|2.700534|2.815091|3.160677|3.429471|3.226751|2.860600|26.138154|6.270709|5.426359|6.808352|7.530726|6.445011|7.542629|12.443098|36.858105| |1.995335|2.025294|2.010979|13.907589|1.961143|1.962383|2.935919|2.042498|1.777530|1.724443|1.537839|1.433656|1.462898|1.614408|2.379874|1.256565|2.315009|17.951564|4.385212|4.370569|3.126648|3.403474|4.038567|4.369214|3.822116|3.269519|34.450390|7.600708|6.966636|10.627747|12.449207|7.530196|6.445492|7.518270|12.436570|36.858105| |17.746857|8.576688|5.709912|37.736830|8.920444|4.026557|4.577070|2.864500|2.496179|2.257391|2.001118|1.943808|2.088148|2.374151|3.423878|1.723434|3.104974|22.442882|4.535853|6.181645|3.254756|2.693192|2.577801|2.891556|3.611410|3.952937|17.886505|4.900783|4.014465|2.976934|2.174627|2.016850|1.931571|1.775919|1.881119|1.960112|0.500000| |8.574755|17.735916|8.940533|37.766053|5.731229|6.704532|6.686898|3.684069|3.191395|2.953945|2.542570|2.380820|2.497839|2.866713|3.943337|1.993082|3.707983|32.716119|6.160646|10.280436|4.093028|3.159735|2.805094|2.971761|3.693961|4.649975|17.241601|4.444873|3.878787|2.958599|2.153185|1.929164|1.851354|1.760079|1.925451|2.014225|0.201113|0.500000| |8.766476|5.684487|5.397644|55.339601|17.789049|3.821716|4.571764|3.115860|2.677173|2.310659|2.046034|2.043409|2.281396|2.654651|3.791786|1.858221|3.257404|21.079193|4.373780|5.254204|3.203499|2.780530|2.733467|3.062619|3.645120|3.759467|19.397078|5.297036|4.546427|3.073818|2.148671|2.008406|1.859624|1.690947|1.772531|1.900258|0.203603|0.122455|0.500000| |4.359189|5.841436|8.901028|44.130519|4.353238|17.610689|12.691418|7.483289|7.186838|5.728846|4.511172|4.253713|4.754722|6.134194|6.769716|3.188178|6.022038|38.462643|7.805678|8.985803|4.110546|3.402603|2.852300|2.753359|3.082158|3.818173|15.866984|3.855942|3.802283|2.707482|1.876837|1.673799|1.565927|1.510697|1.655172|1.784786|0.098970|0.146149|0.099354|0.500000| |4.701491|7.198163|9.035861|36.342028|4.189419|17.679511|12.457156|5.704257|5.059132|4.746961|3.800415|3.381556|3.486582|4.128496|5.158663|2.579040|4.982141|48.402360|8.867873|14.031379|4.632787|3.587877|2.957909|2.894359|3.355902|4.383446|16.375917|4.005152|3.807609|2.843311|2.012615|1.776446|1.681810|1.632454|1.810209|1.930671|0.109106|0.210943|0.094345|0.304325|0.500000| |3.017702|3.510843|4.477077|30.094062|3.173533|5.587148|12.517178|17.645156|8.921395|6.736221|4.602388|4.038626|4.389235|5.970325|6.083513|2.946232|5.597296|51.312768|13.421180|8.465695|6.185742|6.140886|4.516853|3.755629|3.754988|4.547599|20.384199|4.558493|5.076124|3.471794|2.278480|1.959998|1.772471|1.729176|1.936575|2.190164|0.072400|0.090292|0.078395|0.147805|0.128637|0.500000| |3.637712|4.185545|5.865240|44.510998|4.054568|6.854758|12.421768|17.575657|8.885185|5.593178|4.166367|4.014372|4.830149|7.378082|6.813773|3.106140|5.630745|40.165875|8.753577|7.617883|5.206828|4.731356|3.890328|3.545376|3.720595|4.438024|19.806255|4.602756|4.941725|3.256466|2.150968|1.890294|1.712115|1.640738|1.803008|2.015511|0.084078|0.101232|0.098411|0.194144|0.140047|0.304635|0.500000| |2.553628|3.069417|3.679102|22.314212|2.537327|5.094349|8.983489|7.047324|8.953565|17.734571|8.911784|5.714253|5.009597|5.627860|6.585605|3.446722|7.402534|40.981551|12.676407|8.257092|3.983071|3.725888|2.952561|2.600979|2.679701|3.220162|15.004030|3.465782|3.665739|2.694551|1.851387|1.622113|1.515871|1.509104|1.688581|1.840148|0.063030|0.084609|0.062699|0.145876|0.137688|0.190281|0.141212|0.500000| |2.048837|2.369444|2.722907|17.370167|2.047265|3.441965|5.095224|4.069516|5.593593|8.812310|17.745950|8.925441|5.643216|4.888731|7.761863|4.650234|12.151954|23.575625|6.636877|5.331132|2.626763|2.528953|2.155203|1.953507|1.995540|2.282263|11.857777|2.780876|2.938829|2.152883|1.493844|1.340587|1.266224|1.264146|1.390289|1.491095|0.051677|0.065666|0.051812|0.105510|0.095330|0.107997|0.095754|0.213092|0.500000| |2.886041|3.198705|4.114923|31.904048|3.204211|4.739150|6.742057|6.946758|8.782865|5.603246|4.887535|5.644456|8.946952|17.728131|12.215110|4.663519|7.773430|25.320021|6.040388|5.389095|3.191306|3.035131|2.667221|2.484295|2.563158|2.885515|14.996326|3.554964|3.816494|2.539305|1.705418|1.541054|1.416655|1.365284|1.475917|1.618656|0.069030|0.079820|0.081237|0.161194|0.107717|0.153685|0.224992|0.123516|0.106449|0.500000| |1.756951|1.906045|2.178394|15.575799|1.842400|2.465220|3.450572|2.949491|3.763336|3.771600|4.643551|6.685353|6.686546|4.645276|16.563364|17.588302|16.564915|15.448041|4.013580|3.511692|1.943403|1.923145|1.745232|1.621892|1.632654|1.775996|10.306285|2.446957|2.637578|1.836055|1.258783|1.159019|1.086558|1.068046|1.144714|1.230676|0.044573|0.050771|0.048398|0.077721|0.064304|0.077532|0.080093|0.087622|0.115575|0.115863|0.500000| |1.834541|1.997417|2.267966|16.005623|1.908776|2.562184|3.431472|2.822178|3.576509|3.583573|4.406887|6.308300|6.308508|4.409118|16.592342|17.667911|16.593258|15.179526|3.849589|3.535866|1.885647|1.824436|1.654543|1.560973|1.597416|1.749234|9.906285|2.380800|2.506148|1.761521|1.218860|1.125977|1.062330|1.041714|1.114059|1.188402|0.046604|0.053426|0.049934|0.082499|0.067634|0.071996|0.076902|0.083732|0.110793|0.111120|0.297174|0.500000| |2.673614|2.987496|3.392104|22.716869|2.722451|3.729256|6.962405|5.221610|3.953424|3.726675|2.970954|2.628966|2.703334|3.204444|4.088145|2.093105|3.955282|47.278369|13.744501|8.283773|8.910310|17.769128|8.917599|5.657287|4.940724|5.631804|27.815822|5.708194|6.705048|4.969254|3.142499|2.535244|2.236977|2.218661|2.592879|3.095702|0.066838|0.079659|0.069048|0.092352|0.095534|0.191961|0.129939|0.115949|0.076711|0.086324|0.056477|0.052780|0.500000| |2.453395|2.562020|2.777647|20.046504|2.553951|2.790235|4.603476|3.461710|2.789607|2.580681|2.194019|2.036861|2.133504|2.467625|3.374373|1.732517|3.179145|27.776738|6.975514|5.764098|5.654290|8.923540|17.752267|8.904373|5.628659|4.939329|47.351326|8.067103|12.169834|8.280194|4.405916|3.396653|2.781241|2.690868|3.118315|4.076817|0.062881|0.067429|0.067484|0.070455|0.071752|0.112602|0.096124|0.076029|0.057164|0.069431|0.047326|0.044368|0.214327|0.500000| |4.139386|3.956791|3.819956|27.348395|4.119895|3.291036|4.760841|3.121037|2.506850|2.277460|1.954662|1.844683|1.958620|2.271018|3.143568|1.596284|2.904984|27.738723|5.728062|6.779841|5.654741|4.940632|5.632480|8.934955|17.770245|8.894652|47.310555|13.828584|8.424746|6.716110|4.693813|3.868535|3.338813|2.919559|3.230922|3.705058|0.109122|0.101600|0.108206|0.078807|0.085777|0.088072|0.090458|0.066056|0.050767|0.065386|0.042508|0.041935|0.107387|0.124128|0.500000| |5.594369|6.535272|6.243700|35.756095|4.979777|5.298616|7.561037|4.235997|3.254704|2.955702|2.446568|2.251655|2.373473|2.808464|3.698968|1.866109|3.463285|47.143900|8.108260|12.681293|8.918234|5.626947|4.941345|5.662048|8.916472|17.778296|27.793553|6.972244|5.812982|4.556862|3.238883|2.712214|2.495875|2.339665|2.653806|2.920162|0.135179|0.170610|0.115243|0.114308|0.139963|0.113936|0.117064|0.087575|0.063038|0.078987|0.048797|0.048849|0.124078|0.107373|0.214042|0.500000| |2.054024|2.043815|2.086583|15.199017|2.105930|2.010767|3.043943|2.206723|1.894818|1.788585|1.589134|1.504521|1.565124|1.747356|2.558032|1.334485|2.423197|17.789889|4.329711|4.121798|3.224927|3.740076|5.038415|5.562543|4.184166|3.345783|61.898631|10.745612|14.017988|25.904362|9.019438|6.952097|4.572673|4.177834|4.526972|6.793463|0.055092|0.054656|0.057728|0.051405|0.053289|0.066498|0.062259|0.051993|0.042165|0.049556|0.036550|0.034871|0.093334|0.156806|0.110982|0.080189|0.500000| |2.475505|2.456446|2.394741|16.703522|2.425777|2.252837|3.321950|2.265354|1.927038|1.831512|1.615837|1.514856|1.566508|1.753175|2.544074|1.326726|2.430831|20.155732|4.654746|4.971369|3.704443|3.810326|4.652897|6.010540|5.601860|4.278713|49.224933|12.396066|8.303280|12.589419|17.571194|8.890424|6.829413|5.691058|6.835503|8.914376|0.067947|0.067067|0.065447|0.056047|0.061045|0.066324|0.063180|0.053891|0.043020|0.049402|0.035830|0.034925|0.090431|0.119338|0.163314|0.105545|0.179744|0.500000| |2.130067|2.041900|1.996106|14.529939|2.145159|1.856919|2.680585|1.885284|1.640248|1.548256|1.391006|1.328199|1.383997|1.533327|2.287292|1.194351|2.159246|15.373220|3.597005|3.761007|2.679041|2.784973|3.363927|4.128027|3.800278|3.015950|41.864179|12.551242|8.211659|9.457676|8.854212|17.585875|8.790431|5.481298|4.838250|5.500568|0.059215|0.054967|0.059982|0.047343|0.049875|0.054627|0.053660|0.044692|0.037000|0.043736|0.032458|0.031611|0.068726|0.092000|0.115963|0.077114|0.174614|0.215626|0.500000| |1.846039|1.806846|1.790023|12.905365|1.857594|1.705361|2.493240|1.773766|1.560144|1.489292|1.345288|1.280181|1.323561|1.455174|2.188241|1.151293|2.088143|14.418177|3.470776|3.493717|2.470058|2.651585|3.194090|3.628721|3.199194|2.653096|34.939186|8.591290|7.561214|9.570287|8.884342|17.477880|8.844468|6.788533|5.678074|6.811517|0.050894|0.049018|0.051497|0.043788|0.045993|0.052042|0.049932|0.043170|0.036007|0.041195|0.031458|0.030407|0.067214|0.091497|0.091770|0.067275|0.208149|0.174476|0.302503|0.500000| |2.061562|2.003792|1.910051|13.361116|1.998712|1.790928|2.549257|1.748101|1.539325|1.478783|1.335122|1.264302|1.300716|1.427820|2.145786|1.130264|2.062021|14.920211|3.487314|3.797171|2.503044|2.504534|2.834685|3.334128|3.327917|2.824247|27.364029|7.693746|5.508207|6.214936|6.780532|8.852073|17.499041|8.848917|6.785270|5.658946|0.058464|0.055483|0.054981|0.045389|0.049250|0.050195|0.048854|0.043111|0.035865|0.040233|0.030571|0.030057|0.062564|0.075540|0.101434|0.075008|0.112503|0.201081|0.214354|0.173659|0.500000| |1.781904|1.727211|1.668462|11.860318|1.756252|1.575601|2.246515|1.570090|1.398125|1.343922|1.224004|1.166499|1.200725|1.309486|1.995248|1.054552|1.914886|12.926092|3.072552|3.239092|2.137516|2.187346|2.488810|2.837639|2.730408|2.344973|24.311364|6.641656|5.214307|5.590019|5.495376|8.840929|17.545538|8.806955|5.491288|4.835737|0.050285|0.047505|0.048828|0.040453|0.043103|0.045227|0.044057|0.038935|0.032928|0.036980|0.028679|0.028069|0.055663|0.068461|0.081390|0.061932|0.109675|0.140113|0.211758|0.214731|0.303780|0.500000| |1.690152|1.681372|1.621663|11.195450|1.635222|1.562928|2.240053|1.548366|1.388807|1.357786|1.238765|1.167738|1.186687|1.286288|1.961397|1.045101|1.917248|13.197331|3.185343|3.356942|2.133004|2.174887|2.396176|2.621657|2.548828|2.286462|20.504542|5.244923|4.418243|4.850547|4.830234|5.483894|8.814614|17.539628|8.819934|5.484646|0.047575|0.047138|0.044635|0.039995|0.043411|0.044783|0.042671|0.039807|0.033641|0.035872|0.028389|0.027805|0.056187|0.065706|0.073421|0.060735|0.093860|0.127367|0.123014|0.139337|0.214810|0.211296|0.500000| |1.636178|1.629173|1.597051|11.175493|1.608463|1.547105|2.246566|1.577360|1.411720|1.375434|1.253676|1.183966|1.206260|1.309600|1.994401|1.061630|1.942501|13.188707|3.223032|3.276117|2.162630|2.273984|2.572084|2.777294|2.581195|2.279483|22.728606|5.585011|5.002459|5.745231|5.648668|6.770674|8.851582|17.497095|8.850810|6.766261|0.045511|0.045177|0.044053|0.039766|0.042542|0.046100|0.043603|0.040237|0.033971|0.036599|0.028976|0.028140|0.059072|0.072599|0.073044|0.059265|0.117050|0.131595|0.139132|0.199797|0.173723|0.214634|0.303379|0.500000| |2.030852|2.061774|1.987236|13.406990|1.939911|1.925609|2.804103|1.898510|1.670186|1.635045|1.466936|1.364868|1.384341|1.517466|2.256791|1.196551|2.213170|17.205334|4.116386|4.410856|2.864879|2.898282|3.186645|3.520057|3.458124|3.097236|25.655672|6.336491|5.215286|6.263284|6.777509|5.656252|6.786228|8.851856|17.498763|8.853410|0.056572|0.058226|0.051952|0.048377|0.053717|0.055322|0.051744|0.048607|0.039750|0.042085|0.032341|0.031659|0.073313|0.084712|0.097342|0.080955|0.111544|0.201189|0.126697|0.131329|0.199592|0.139316|0.215048|0.173753|0.500000| |1.750176|1.788259|1.753455|11.914967|1.692584|1.729177|2.541803|1.754818|1.564872|1.545717|1.398698|1.301106|1.311834|1.426004|2.145107|1.145406|2.120789|15.473480|3.827716|3.887431|2.519614|2.640462|2.896211|3.027674|2.848665|2.603698|22.427997|5.297420|4.827348|5.650792|5.496117|4.836337|5.491045|8.804844|17.544710|8.841433|0.048357|0.050343|0.045472|0.043993|0.048138|0.051646|0.047608|0.045966|0.038133|0.039384|0.031147|0.030263|0.069003|0.080319|0.077995|0.067447|0.108310|0.140236|0.106618|0.127116|0.139277|0.123105|0.211396|0.214623|0.303723|0.500000| |1.825113|1.849799|1.853782|12.954875|1.811548|1.820624|2.729952|1.931538|1.696775|1.648850|1.480062|1.384736|1.412010|1.550557|2.306546|1.221584|2.245304|16.441688|4.086250|3.952247|2.815125|3.131847|3.724862|3.874669|3.316663|2.876181|31.630231|6.825021|6.863070|9.757155|8.874623|6.791519|5.662159|6.768659|8.840688|17.488911|0.049666|0.050892|0.049028|0.046459|0.049567|0.057818|0.053042|0.048672|0.039929|0.043201|0.033396|0.032069|0.081067|0.109346|0.088803|0.071487|0.202387|0.174613|0.139773|0.201079|0.131117|0.126760|0.139108|0.198994|0.173669|0.214973|0.500000| 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