Version2.1 2020-12-27T15:01:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(oc1)CNC(=O)[C@@H]2CCCN(C2)C(=O)Nc3ccc(s3)S(=O)(=O)N4CCCCCC4 C33121592 RHF 6-31G(d) (6D,7F) c1cc(oc1)CNC(=O)[C@@H]2CCCN(C2)C(=O)Nc3ccc(s3)S(=O)(=O)N4CCCCCC4 C01[X(C22H30N4O5S2)] 183 C1 563 O=C([C@@H]1CCCN(C1)C(=O)Nc1ccc(s1)S(=O)(=O)N1CCCCCC1)NCc1ccco1 O=C([C@@H]1CCCN(C1)C(=O)Nc1ccc(s1)S(=O)(=O)N1CCCCCC1)NCc1ccco1 O=C(NCc1occc1)[C@@H]2CCCN(C2)C(=O)Nc3sc(cc3)[S](=O)(=O)N4CCCCCC4 InChIKey=KYPQQAJUJYCCIQ-QGZVFWFLSA-N InChI=1S/C22H30N4O5S2/c27-21(23-15-18-8-6-14-31-18)17-7-5-11-25(16-17)22(28)24-19-9-10-20(32-19)33(29,30)26-12-3-1-2-4-13-26/h6,8-10,14,17H,1-5,7,11-13,15-16H2,(H,23,27)(H,24,28)/t17-/m1/s1 InChI=1/C22H30N4O5S2/c27-21(23-15-18-8-6-14-31-18)17-7-5-11-25(16-17)22(28)24-19-9-10-20(32-19)33(29,30)26-12-3-1-2-4-13-26/h6,8-10,14,17H,1-5,7,11-13,15-16H2,(H,23,27)(H,24,28)/t17-/m1/s1/f/h23-24H c1cc(oc1)CNC(=O)[C@@H]2CCCN(C2)C(=O)Nc3ccc(s3)S(=O)(=O)N4CCCCCC4 C01[X(C22H30N4O5S2)] 183 C01 563 O=C([C@@H]1CCCN(C1)C(=O)Nc1ccc(s1)S(=O)(=O)N1CCCCCC1)NCc1ccco1 O=C([C@@H]1CCCN(C1)C(=O)N[C]1=[CH][CH]=C(S1)S(=O)(=O)N1CCCCCC1)NCC1=[CH][CH]=CO1 O=C(NCc1occc1)[C@@H]2CCCN(C2)C(=O)Nc3sc(cc3)[S](=O)(=O)N4CCCCCC4 InChIKey=KYPQQAJUJYCCIQ-QGZVFWFLSA-N InChI=1S/C22H30N4O5S2/c27-21(23-15-18-8-6-14-31-18)17-7-5-11-25(16-17)22(28)24-19-9-10-20(32-19)33(29,30)26-12-3-1-2-4-13-26/h6,8-10,14,17H,1-5,7,11-13,15-16H2,(H,23,27)(H,24,28)/t17-/m1/s1 InChI=1/C22H30N4O5S2/c27-21(23-15-18-8-6-14-31-18)17-7-5-11-25(16-17)22(28)24-19-9-10-20(32-19)33(29,30)26-12-3-1-2-4-13-26/h6,8-10,14,17H,1-5,7,11-13,15-16H2,(H,23,27)(H,24,28)/t17-/m1/s1/f/h23-24H 3752.6047425724 -2237.6230921 1-A 29119.8891 131 432 563 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0.04058 0.03510 7.06 14.19 15.92 29.95 35.59 38.62 48.74 53.46 67.08 69.73 96.80 118.57 133.65 158.49 184.36 208.68 213.86 244.93 286.92 299.68 304.51 349.16 378.19 413.37 424.96 437.93 445.31 456.16 494.14 498.49 541.91 549.33 575.20 603.57 619.03 624.96 630.01 673.64 706.51 718.61 727.46 746.84 763.92 795.25 800.65 851.72 859.70 909.30 927.00 930.28 949.12 981.83 998.41 1043.37 1096.20 1122.09 1139.26 1170.12 1175.89 1190.93 1197.99 1214.76 1223.31 1236.01 1280.72 1293.23 1327.56 1343.66 1347.92 1357.00 1366.15 1398.43 1409.62 1418.72 1430.07 1450.43 1479.24 1483.19 1498.31 1500.04 1548.24 1555.48 1582.20 1583.11 1601.81 1608.13 1627.67 1636.05 1649.17 1660.52 1676.99 1706.16 1721.47 1743.22 1747.44 1770.35 1797.45 1802.87 1836.53 1841.04 1890.88 1898.52 1906.06 1927.63 1939.32 1945.28 1954.82 1957.55 1970.73 2000.25 2003.85 2027.10 2044.43 2052.75 2068.97 2071.29 2090.61 2105.62 2114.03 2146.30 2155.04 2173.18 2173.53 2193.35 2195.68 2202.71 2206.11 2220.29 2222.86 2229.37 2244.97 2247.17 2252.81 2270.74 2328.66 2342.30 2346.88 2349.76 2354.01 2359.34 2361.33 2364.54 2368.21 2377.30 2390.37 2392.82 2448.74 2456.54 2471.09 2547.58 2615.79 2770.63 2790.21 4574.80 4589.42 4597.94 4603.90 4613.22 4621.83 4634.77 4640.66 4647.80 4650.29 4660.80 4663.39 4667.18 4673.52 4675.89 4687.04 4695.62 4709.42 4732.35 4762.94 4794.48 4813.83 4818.51 4877.92 4939.09 4944.71 4963.43 5008.47 5599.61 5611.62 0.560394 0.590204 0.591148 0.490113 -2237.062698 -2237.032888 -2237.031944 -2237.132980 3.388764D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE c1cc(oc1)CNC(=O)[C@@H]2CCCN(C2)C(=O)Nc3ccc(s3)S(=O)(=O)N4CCCCCC4 C33121592 RHF 6-31G(d) (6D,10F) C1 494.165764 |X|Y|Z| 69.785256 33.278348 152.126316 70.693029 29 6 7 8 16 22 4 1 2 |36.858105| |13.215371|36.858105| |8.569075|14.217462|36.858105| |8.627439|8.634524|14.108684|73.516695| |14.241454|8.598969|8.765647|25.150742|36.858105| |5.137350|7.317693|12.751938|14.002603|5.340762|36.858105| |4.220485|5.360740|7.750631|11.228452|4.529402|13.138971|53.358707| |3.692684|4.644355|5.715038|8.317940|3.747856|7.762134|19.201098|36.858105| |3.634735|4.740774|5.321999|7.362851|3.486774|6.824662|11.550119|15.828173|73.516695| |3.036460|3.526896|4.142348|6.701050|3.154727|5.001910|10.650229|12.524628|14.238130|36.858105| |3.020489|3.396878|4.093122|7.022200|3.258758|4.833280|10.384192|8.854406|10.440036|17.542534|0.500000| |2.921032|3.296171|3.617723|5.930373|2.959047|3.959491|7.238567|7.578961|11.612287|12.400958|0.245234|36.858105| |2.403327|2.620937|2.843119|4.829670|2.461039|3.073611|5.330773|4.919902|7.818893|7.525388|0.188253|12.439411|36.858105| |2.125017|2.341021|2.548500|4.285537|2.168867|2.844165|4.849830|4.436276|7.253114|6.511593|0.159557|7.539542|12.453651|36.858105| |2.179027|2.429380|2.722777|4.570984|2.254038|3.167920|5.577699|5.026075|7.787523|7.710981|0.194825|6.567278|7.732546|13.030812|53.358707| |2.505774|2.890583|3.313834|5.368360|2.576662|4.073642|7.633563|7.653126|11.232121|12.396134|0.247924|7.576218|6.559304|7.845881|17.782913|36.858105| |2.049306|2.243903|2.540679|4.388513|2.159945|2.934700|5.083689|4.183599|6.355884|5.888861|0.175356|4.910294|5.755607|7.638841|18.953711|7.931828|36.858105| |2.124914|2.326363|2.692305|4.707194|2.275320|3.166629|5.531093|4.276963|6.301345|5.676375|0.183068|4.369521|4.640772|5.372539|11.446828|7.067096|15.845576|73.516695| |1.814977|1.953613|2.168594|3.788786|1.906453|2.431351|4.035441|3.261040|5.149616|4.292335|0.126242|3.990215|5.004990|6.633808|11.172870|5.226445|13.860029|15.097960|53.358707| |1.674676|1.778696|1.971771|3.500891|1.773076|2.184725|3.537237|2.749064|4.362241|3.423334|0.103215|3.179944|3.796339|4.503793|7.119161|3.925985|7.762344|12.113013|18.669546|36.858105| |1.513363|1.592963|1.741211|3.099228|1.593533|1.897907|3.003589|2.329501|3.774609|2.817011|0.083295|2.719044|3.256030|3.774186|5.477162|3.147475|5.153749|8.164027|10.722660|14.065992|36.858105| |1.421923|1.484630|1.622401|2.915970|1.505175|1.757050|2.736358|2.075322|3.368099|2.436462|0.072667|2.327816|2.683415|2.983169|4.364043|2.660642|4.002448|6.880095|7.125890|8.242531|13.358038|36.858105| |1.479814|1.544825|1.705643|3.087268|1.580549|1.858427|2.896966|2.156579|3.459459|2.511472|0.076265|2.332344|2.616220|2.863871|4.352378|2.727172|4.105571|7.582389|6.771644|7.754474|8.267413|14.159769|36.858105| |1.688561|1.784248|2.004580|3.613727|1.813963|2.231389|3.576429|2.659607|4.165017|3.181865|0.099065|2.828770|3.148415|3.498708|5.721804|3.532955|6.017033|12.196930|9.389333|10.978714|7.392189|7.391337|10.947602|388.023441| |1.376264|1.423672|1.566861|2.862479|1.475554|1.690784|2.578060|1.882028|3.040160|2.122037|0.064269|1.970749|2.146689|2.286945|3.432853|2.253711|3.072755|5.829685|4.687420|4.552161|4.767673|6.917520|10.865336|44.247822|388.023441| |1.383480|1.438049|1.590786|2.898989|1.484674|1.732787|2.622380|1.894258|3.061526|2.102492|0.063472|1.915461|2.042797|2.187176|3.353418|2.253187|2.987241|5.849225|4.365406|4.045399|3.963884|5.079200|7.388494|41.226142|94.759823|73.516695| |1.259088|1.298400|1.413819|2.573491|1.340119|1.513250|2.286532|1.683225|2.753070|1.886705|0.056309|1.786225|1.957498|2.086644|3.053653|2.001237|2.653037|4.867581|4.108976|3.870281|4.388183|6.516304|7.492529|32.383711|94.676846|13.585217|73.516695| |1.426705|1.459396|1.609170|2.985659|1.545169|1.714579|2.609211|1.879628|3.014409|2.110019|0.064904|1.968357|2.127395|2.194193|3.254856|2.171033|2.874356|5.514286|4.255547|3.936870|3.979351|5.166091|7.024944|37.338049|83.563152|13.795700|13.734660|53.358707| |1.512741|1.541865|1.715170|3.219195|1.656477|1.827009|2.767084|1.952959|3.107090|2.162069|0.067296|1.983605|2.094616|2.129144|3.199563|2.191859|2.806817|5.570346|3.963845|3.496630|3.331140|3.954108|5.215137|34.093323|50.119724|11.870917|8.938246|17.710067|36.858105| |1.404111|1.420785|1.568291|2.952828|1.535210|1.654115|2.455352|1.723284|2.772724|1.868184|0.057365|1.727166|1.801484|1.820990|2.702961|1.883034|2.300913|4.505091|3.217991|2.743873|2.667686|3.113287|3.819481|24.897405|36.768476|9.347069|7.567770|10.404722|12.482424|36.858105| |1.316347|1.321823|1.443834|2.721411|1.433346|1.504041|2.221231|1.570565|2.546154|1.701373|0.051867|1.602832|1.682210|1.686564|2.452742|1.701761|2.054782|3.926973|2.909273|2.458399|2.459114|2.867424|3.331469|21.046032|30.966894|7.235285|7.089287|8.619282|7.353094|12.410113|36.858105| |1.228577|1.238681|1.344376|2.508593|1.325277|1.403267|2.076540|1.487869|2.428939|1.621952|0.048971|1.543359|1.640330|1.661811|2.395727|1.640487|2.005057|3.762983|2.903304|2.487833|2.576831|3.100202|3.507041|20.750791|34.047570|7.441261|8.653515|8.935839|5.908243|7.386852|12.384408|36.858105| |1.255916|1.268369|1.374530|2.556699|1.351128|1.434763|2.144813|1.553259|2.532207|1.718050|0.051936|1.651990|1.786169|1.810972|2.584836|1.739587|2.176960|4.021978|3.227170|2.816742|3.006093|3.714684|4.078172|22.900732|38.184593|7.436940|10.269070|10.307821|5.650276|5.593373|7.295332|12.404065|36.858105| |1.380573|1.400985|1.530764|2.848662|1.491594|1.609179|2.442013|1.771580|2.856843|1.992503|0.061018|1.902981|2.079212|2.112042|3.044239|2.020556|2.629433|4.890984|3.945936|3.565970|3.769358|4.792462|5.563719|30.095103|50.762280|8.895149|11.709650|17.750817|7.610588|5.934034|6.306135|7.357407|12.431263|36.858105| |17.800463|8.431198|5.840855|10.449540|8.836129|4.030333|4.692680|3.141291|5.605695|2.663345|0.073232|2.629465|2.206736|1.956348|2.695210|2.239824|1.863093|3.404322|2.275236|1.548899|1.412768|1.330619|1.377619|11.050764|9.146615|2.291837|2.105900|1.815064|1.407499|1.314127|1.240841|1.162147|1.188197|1.298082|0.500000| |8.429792|17.799891|8.844667|10.457605|5.853366|6.332817|6.535289|4.481162|8.780814|3.384804|0.087864|3.220528|2.560775|2.314675|3.241737|2.843455|2.169222|3.950162|2.579937|1.716716|1.543915|1.433789|1.482719|12.123782|9.692926|2.448146|2.221216|1.886505|1.453431|1.340745|1.249875|1.178860|1.208855|1.331360|0.192591|0.500000| |8.619540|5.814336|6.029410|16.482264|17.835125|4.278905|5.229102|3.237969|5.308734|2.850766|0.083374|2.701135|2.310139|2.037203|2.872463|2.360953|2.052830|3.853923|2.495642|1.725268|1.559513|1.484350|1.562269|12.641924|10.458764|2.623940|2.376733|2.117464|1.676672|1.563546|1.466959|1.348875|1.371525|1.509141|0.195283|0.123053|0.500000| |4.489296|5.771454|8.986363|12.719783|4.886593|17.573119|12.559605|5.866364|9.164020|4.275842|0.119554|3.382011|2.751303|2.604004|4.014692|3.697648|2.819845|5.545354|3.198773|2.148576|1.866127|1.747742|1.869164|15.975134|12.233940|3.170745|2.723067|2.377719|1.882563|1.713374|1.545411|1.432440|1.451991|1.624931|0.100259|0.139854|0.113621|0.500000| |4.631243|6.865984|9.021836|10.237471|4.448203|17.673700|12.612871|7.460874|13.988194|4.706976|0.119314|3.829196|2.973382|2.808283|4.223571|4.039307|2.810686|5.284935|3.187825|2.090266|1.827354|1.685004|1.767715|14.973945|11.414705|2.927655|2.572453|2.191885|1.699297|1.543950|1.408829|1.324911|1.355918|1.513241|0.105230|0.190539|0.100655|0.301784|0.500000| |3.961529|4.654919|6.612898|11.322498|4.505076|9.041523|26.085982|9.392434|10.867970|7.475101|0.243724|5.080237|3.935638|3.548333|5.638383|5.368676|3.966631|7.968693|4.263551|2.781641|2.337495|2.141678|2.295821|20.452559|14.532535|3.692602|3.187329|2.848447|2.245754|1.974861|1.774181|1.644061|1.697699|1.950002|0.090592|0.112980|0.110264|0.222086|0.180409|0.500000| |2.871547|3.304273|3.506288|5.558864|2.817559|3.833677|6.605107|7.148350|13.088563|8.891222|0.174201|17.565678|8.827366|6.726820|7.767292|6.809912|4.206816|6.660801|4.789127|2.836474|2.474097|2.129902|2.119302|17.938952|12.860350|3.142941|2.943073|2.437377|1.798683|1.583989|1.475267|1.427422|1.521274|1.732093|0.072588|0.092798|0.070716|0.090080|0.107896|0.122137|0.500000| |3.262456|3.600646|3.904209|6.536057|3.317974|4.025630|7.164785|6.811146|10.437935|8.796223|0.214065|17.545489|8.825683|5.498059|6.699249|5.504481|4.069002|6.722406|4.682737|2.864095|2.492429|2.176092|2.190487|18.574673|13.385247|3.242787|3.040588|2.601969|1.941451|1.702515|1.590656|1.522771|1.626941|1.865711|0.081447|0.095844|0.084153|0.094398|0.105367|0.142381|0.303487|0.500000| |2.285692|2.461008|2.599202|4.422248|2.309339|2.735279|4.542584|4.090397|6.854595|5.488627|0.138704|8.819679|17.537240|8.859242|7.638895|4.923241|4.464588|6.586518|5.692683|3.320438|2.978223|2.479391|2.379382|19.600823|14.072157|3.327912|3.259855|2.675165|1.921566|1.672016|1.580577|1.551305|1.693974|1.948830|0.059204|0.067445|0.060521|0.068107|0.074315|0.092093|0.215791|0.210084|0.500000| |2.373763|2.537419|2.785860|4.877767|2.483774|2.977861|5.174348|4.471375|6.845603|6.698386|0.196575|8.810860|17.515530|8.884510|9.401777|5.686213|6.040074|8.857334|7.361827|4.200432|3.560889|2.933848|2.875896|24.814326|16.620939|3.902385|3.756527|3.202402|2.315661|1.965861|1.836482|1.783914|1.959236|2.314836|0.060445|0.067645|0.065743|0.075239|0.078126|0.110927|0.173323|0.215453|0.302703|0.500000| |2.080341|2.315406|2.480833|4.095319|2.087529|2.771872|4.604314|4.299319|7.485417|5.762344|0.133474|6.789384|8.821819|17.562811|12.559817|7.168282|5.776390|7.838182|7.005505|3.749702|3.261439|2.640690|2.530140|21.411205|14.685888|3.547352|3.388681|2.681917|1.915865|1.662903|1.545663|1.527080|1.651881|1.897310|0.053504|0.064702|0.054089|0.070072|0.077946|0.090703|0.197450|0.138945|0.214420|0.173822|0.500000| |1.920281|2.081735|2.248958|3.839932|1.966809|2.470978|4.098068|3.570294|5.891937|4.867747|0.127972|5.500045|8.835814|17.644982|12.302432|5.655381|7.101815|8.791793|10.367038|5.069537|4.395241|3.327394|3.082074|26.002861|17.133984|4.021856|3.952797|3.115926|2.175811|1.852942|1.728135|1.723034|1.901719|2.226107|0.049538|0.057062|0.051920|0.063842|0.067530|0.084552|0.138866|0.123460|0.212910|0.215856|0.304442|0.500000| |2.456753|2.839882|3.323840|5.408695|2.554368|4.244693|7.857618|6.932396|10.055443|8.769795|0.214750|5.502612|4.895667|5.689963|12.504721|17.682164|7.624440|14.376218|6.769857|3.927400|3.107462|2.684258|2.820708|26.647307|16.726250|4.270077|3.665717|3.063106|2.300148|1.973484|1.759033|1.685628|1.769780|2.056254|0.060682|0.077065|0.065152|0.111466|0.116132|0.156695|0.139954|0.123060|0.108000|0.126819|0.146479|0.127021|0.500000| |2.441008|2.852250|3.178747|5.021593|2.450315|3.878555|6.793676|7.060031|12.255245|8.847284|0.174644|6.897675|5.853030|7.193853|12.546067|17.583234|5.880601|9.231112|5.976243|3.388920|2.826574|2.405243|2.429962|21.515726|14.487494|3.628326|3.266953|2.656244|1.959257|1.708221|1.556397|1.509444|1.596268|1.829083|0.061153|0.080010|0.061936|0.096626|0.112267|0.125746|0.202960|0.140322|0.131408|0.133446|0.219144|0.145892|0.301914|0.500000| |1.736303|1.869678|2.046788|3.547015|1.803809|2.275833|3.723286|3.063932|4.970623|3.972346|0.111830|3.893808|5.067608|7.273992|10.452075|4.858757|9.316624|10.908281|26.106552|9.447899|7.395341|4.812869|4.301834|37.476552|21.941719|5.087723|4.988206|3.799249|2.576317|2.138883|1.964620|1.982470|2.209259|2.645126|0.044719|0.050843|0.048100|0.060641|0.061681|0.078703|0.098117|0.092566|0.122260|0.144834|0.160669|0.268461|0.123862|0.120020|0.500000| |1.466602|1.543431|1.670921|2.957344|1.532086|1.809829|2.849300|2.239613|3.678329|2.703835|0.078337|2.688848|3.288820|3.861233|5.290488|3.017068|4.641579|7.066082|9.491377|8.881984|17.738808|8.609616|5.742868|37.481353|27.433257|5.832818|6.662844|4.532887|2.835664|2.344711|2.205761|2.325343|2.709767|3.274145|0.038217|0.041790|0.041577|0.049052|0.048759|0.060884|0.068787|0.068316|0.085658|0.098245|0.093963|0.130436|0.080926|0.076887|0.212865|0.500000| |1.322595|1.374202|1.490163|2.680486|1.395287|1.600351|2.462147|1.864791|3.057238|2.156864|0.063721|2.088849|2.392914|2.627711|3.751689|2.330691|3.296419|5.654005|5.646834|5.728686|8.597175|17.771432|8.944279|37.518836|45.391636|8.211006|12.954006|6.580654|3.626090|2.975584|2.830125|3.176627|3.897574|4.776437|0.034566|0.036953|0.038338|0.044221|0.042783|0.053208|0.053629|0.054696|0.062534|0.072010|0.065754|0.081389|0.065002|0.059447|0.110746|0.201147|0.500000| |1.612660|1.634133|1.824117|3.459987|1.780239|1.929013|2.941436|2.065260|3.258123|2.299108|0.072610|2.115062|2.231953|2.226160|3.326136|2.284188|2.911435|5.787570|4.066312|3.519417|3.297186|3.762373|4.767485|33.320720|39.374748|8.993370|7.496617|12.545800|17.540538|8.822855|6.535197|5.111053|5.187809|7.231656|0.041591|0.042525|0.050329|0.055005|0.049409|0.067042|0.052750|0.058045|0.056734|0.069526|0.055186|0.062931|0.066059|0.056289|0.073020|0.078554|0.094915|0.500000| |1.563708|1.607244|1.801990|3.365639|1.713011|1.945665|2.956143|2.075055|3.286504|2.292138|0.071489|2.062780|2.159302|2.220223|3.411032|2.353125|3.032953|6.198205|4.203508|3.703880|3.404350|3.965892|5.433534|38.695583|49.800978|14.113383|8.420275|12.449966|17.666761|8.894014|5.444078|4.607587|4.401835|5.633396|0.040207|0.042095|0.047863|0.056123|0.050241|0.066840|0.051976|0.055618|0.054481|0.065854|0.055532|0.062482|0.069768|0.058102|0.074906|0.079596|0.098331|0.303020|0.500000| |1.458469|1.469945|1.628874|3.092576|1.605812|1.712667|2.524848|1.749989|2.808348|1.876248|0.057818|1.723343|1.773522|1.777264|2.646357|1.872150|2.233179|4.417177|3.059399|2.549284|2.433066|2.751449|3.323695|22.940278|29.586407|7.794583|6.161954|7.629861|8.970882|17.505690|8.840547|5.446317|4.355819|4.632651|0.037844|0.038349|0.045651|0.049640|0.044157|0.056685|0.043890|0.047451|0.045638|0.053659|0.045190|0.049729|0.054738|0.047148|0.056436|0.059880|0.072411|0.218755|0.214642|0.500000| |1.336411|1.358935|1.496459|2.794741|1.452221|1.587024|2.343605|1.650349|2.671955|1.780265|0.054137|1.642051|1.710220|1.748810|2.605319|1.817072|2.212097|4.322420|3.100921|2.647775|2.592611|3.053445|3.747568|24.006314|37.873853|10.502084|7.933204|9.221711|8.923999|17.541568|8.867254|6.881153|5.054867|5.103070|0.034786|0.035790|0.040888|0.045784|0.041418|0.051954|0.042126|0.044690|0.044149|0.051331|0.044666|0.049466|0.053182|0.046073|0.057574|0.063416|0.081847|0.174360|0.220762|0.303156|0.500000| |1.366391|1.364041|1.489272|2.826440|1.494146|1.540039|2.279965|1.609938|2.601827|1.748595|0.053604|1.657336|1.741169|1.724165|2.489424|1.727630|2.077820|3.957078|2.934353|2.457767|2.448495|2.804640|3.208057|20.703256|27.993287|6.376675|6.394683|7.875308|6.721476|8.780492|17.483541|8.760160|6.927985|6.383052|0.035798|0.035702|0.042700|0.043787|0.039896|0.050797|0.042175|0.046020|0.045527|0.053208|0.043715|0.049041|0.049275|0.043773|0.055021|0.061324|0.076446|0.193202|0.138054|0.209880|0.173224|0.500000| |1.264065|1.265323|1.377398|2.598994|1.375140|1.429094|2.089402|1.471838|2.398003|1.577081|0.047800|1.486609|1.547095|1.548266|2.246799|1.574180|1.860097|3.550894|2.609888|2.169669|2.164393|2.480959|2.833128|18.286935|25.571080|6.229749|5.993636|6.431672|5.468079|8.951093|17.536805|8.886316|5.475563|4.662239|0.033191|0.033253|0.039196|0.040926|0.037247|0.046167|0.038220|0.041088|0.040524|0.046573|0.039696|0.043863|0.045259|0.040236|0.049285|0.054544|0.068327|0.138649|0.124176|0.221747|0.213523|0.304871|0.500000| |1.162523|1.167699|1.260110|2.351373|1.250522|1.307613|1.921825|1.378219|2.262577|1.492871|0.044806|1.430252|1.515719|1.529618|2.186692|1.504533|1.806482|3.364769|2.607322|2.198009|2.286508|2.696075|2.956711|17.841373|27.133699|6.083463|7.130157|6.531901|4.464153|5.512176|8.845093|17.534488|8.935483|5.485082|0.030674|0.030917|0.035434|0.037032|0.034380|0.042065|0.036923|0.039339|0.040091|0.045568|0.039278|0.044025|0.042782|0.038703|0.049941|0.058292|0.077614|0.112727|0.102069|0.124810|0.147061|0.200576|0.228650|0.500000| |1.200060|1.216336|1.321058|2.450772|1.290276|1.387897|2.050843|1.471644|2.408551|1.601048|0.048110|1.514978|1.607868|1.647133|2.391176|1.637201|2.006845|3.775835|2.910371|2.509482|2.605700|3.180648|3.643570|21.173259|37.712926|8.544515|9.861730|8.913601|5.744705|7.169317|8.878910|17.548928|8.863527|6.327375|0.031505|0.032250|0.036317|0.039462|0.036538|0.044945|0.039074|0.041261|0.042146|0.048241|0.042203|0.047438|0.047004|0.041947|0.055241|0.065022|0.091008|0.129714|0.131650|0.145080|0.219450|0.174045|0.203914|0.305039|0.500000| |1.243930|1.248964|1.347475|2.515088|1.338217|1.394918|2.080057|1.507467|2.462394|1.664397|0.050265|1.616860|1.749052|1.752545|2.470882|1.667641|2.055752|3.767492|3.035311|2.596470|2.767850|3.297558|3.498016|20.465475|29.965537|6.066542|7.949534|7.667754|4.649580|4.659812|6.283519|8.810755|17.504238|8.959934|0.032799|0.033038|0.037886|0.039068|0.036590|0.045688|0.041365|0.044554|0.046415|0.053421|0.044454|0.051125|0.046778|0.042624|0.058155|0.070649|0.096079|0.127399|0.103292|0.107390|0.114866|0.187249|0.139480|0.225267|0.175239|0.500000| |1.194571|1.210750|1.307122|2.414014|1.277086|1.367873|2.041847|1.489293|2.442594|1.647765|0.049367|1.590935|1.728759|1.771471|2.517972|1.685016|2.112603|3.859515|3.170950|2.779989|3.051217|3.852449|4.072773|22.057867|38.260275|7.334588|11.851559|8.686368|4.653499|4.557374|5.450490|8.900124|17.579343|8.866079|0.031455|0.032204|0.035864|0.038375|0.036121|0.044586|0.040935|0.043291|0.045741|0.052275|0.045118|0.052026|0.047542|0.043215|0.060978|0.077195|0.117659|0.116761|0.107406|0.101447|0.122539|0.139687|0.123975|0.208720|0.226450|0.303429|0.500000| |1.369840|1.395009|1.518860|2.806771|1.471191|1.599079|2.440830|1.793450|2.900566|2.040329|0.062129|1.970541|2.192588|2.245379|3.199653|2.084379|2.771256|5.033142|4.294304|3.968497|4.427566|5.867110|6.258020|31.568473|49.596139|8.292967|12.528537|12.412649|5.701555|4.500502|4.657732|5.473232|8.834793|17.602656|0.035823|0.036970|0.041160|0.044529|0.041961|0.053850|0.049825|0.053370|0.057333|0.067987|0.055798|0.066811|0.058361|0.052498|0.080694|0.106843|0.168511|0.154849|0.130415|0.103076|0.113168|0.131598|0.102886|0.123922|0.139265|0.204962|0.225655|0.500000| 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