Version2.1 2020-12-14T18:55:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 15-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[NH+]1CCN(CC1)S(=O)(=O)c2cc(ccc2OC)c3c(nn4c3NC(=O)CCC4=O)C C33276603 RHF 6-31G(d) (6D,7F) CCC[NH+]1CCN(CC1)S(=O)(=O)c2cc(ccc2OC)c3c(nn4c3NC(=O)CCC4=O)C C01[X(C22H30N5O5S1)] 183 C1 559 CCC[NH+]1CCN(CC1)S(=O)(=O)c1cc(ccc1OC)c1c(C)nn2c1NC(=O)CCC2=O CCC[NH+]1CCN(CC1)S(=O)(=O)c1cc(ccc1OC)c1c(C)nn2c1NC(=O)CCC2=O CCC[NH+]1CCN(CC1)[S](=O)(=O)c2cc(ccc2OC)c3c(C)nn4C(=O)CCC(=O)Nc34 InChIKey=CCFINYLIXNWXSQ-UHFFFAOYSA-O InChI=1S/C22H29N5O5S/c1-4-9-25-10-12-26(13-11-25)33(30,31)18-14-16(5-6-17(18)32-3)21-15(2)24-27-20(29)8-7-19(28)23-22(21)27/h5-6,14H,4,7-13H2,1-3H3,(H,23,28)/p+1 InChI=1/C22H29N5O5S/c1-4-9-25-10-12-26(13-11-25)33(30,31)18-14-16(5-6-17(18)32-3)21-15(2)24-27-20(29)8-7-19(28)23-22(21)27/h5-6,14H,4,7-13H2,1-3H3,(H,23,28)/p+1/fC22H30N5O5S/h23,25H/q+1 CCC[NH+]1CCN(CC1)S(=O)(=O)c2cc(ccc2OC)c3c(nn4c3NC(=O)CCC4=O)C C01[X(C22H30N5O5S1)] 183 C01 559 CCC[NH+]1CCN(CC1)S(=O)(=O)c1cc(ccc1OC)c1c(C)nn2c1NC(=O)CCC2=O CCC[NH]1CCN(CC1)[S@@]([O])(=O)[C]1[CH][C]([CH][CH][C]1OC)[C]1[C]([N]N2[C]1NC(=O)CCC2=O)C CCC[NH]1CCN(CC1)[S]([O])(=O)[C]2[CH][C]([CH][CH][C]2OC)[C]3[C](C)[N]N4[C]3NC(=O)CCC4=O InChIKey=QQBMPZROFKQEOY-UHFFFAOYSA-N InChI=1S/C22H30N5O5S/c1-4-9-25-10-12-26(13-11-25)33(30,31)18-14-16(5-6-17(18)32-3)21-15(2)24-27-20(29)8-7-19(28)23-22(21)27/h5-6,14,25H,4,7-13H2,1-3H3,(H,23,28) InChI=1/C22H30N5O5S/c1-4-9-25-10-12-26(13-11-25)33(30,31)18-14-16(5-6-17(18)32-3)21-15(2)24-27-20(29)8-7-19(28)23-22(21)27/h5-6,14,25H,4,7-13H2,1-3H3,(H,23,28)/f/h23H 3717.6062656639 -1894.3568982 1-A 22952.7884 126 433 559 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.32184 -20.70814 -20.66464 -20.66215 -20.61959 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 9.4682 17.0117 24.6123 32.0049 40.8621 46.6848 56.9909 65.0713 72.3055 78.3981 96.1150 101.2488 110.1245 126.4064 137.9963 139.9250 164.6832 185.2113 194.5930 198.5342 217.7790 221.1756 238.3749 258.0798 259.6194 269.1351 277.7250 322.0700 329.2656 342.9277 349.0075 363.7478 373.6249 383.0520 411.9721 419.7388 431.3353 453.8722 463.4521 469.4008 474.7519 497.7368 517.8352 523.9837 531.3990 551.7535 572.1294 612.0992 623.4538 636.4390 637.8131 653.1137 665.1202 683.8477 699.8798 712.8036 722.3835 741.5011 798.6994 806.1831 809.9786 816.5161 828.6063 839.9806 846.1778 872.3431 895.9111 933.0771 945.4844 950.3476 962.5445 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0.04912 0.04724 13.62 24.48 35.41 46.05 58.79 67.17 82.00 93.62 104.03 112.80 138.29 145.67 158.44 181.87 198.55 201.32 236.94 266.48 279.98 285.65 313.34 318.22 342.97 371.32 373.53 387.23 399.58 463.39 473.74 493.40 502.14 523.35 537.56 551.13 592.74 603.91 620.60 653.02 666.80 675.36 683.06 716.13 745.05 753.90 764.56 793.85 823.17 880.67 897.01 915.69 917.67 939.69 956.96 983.90 1006.97 1025.57 1039.35 1066.85 1149.15 1159.92 1165.38 1174.78 1192.18 1208.54 1217.46 1255.11 1289.02 1342.49 1360.34 1367.34 1384.89 1399.99 1457.43 1470.91 1473.65 1501.35 1538.17 1545.78 1600.48 1605.40 1618.44 1619.11 1626.43 1629.80 1641.89 1645.70 1660.66 1673.94 1684.42 1702.72 1737.03 1739.30 1771.90 1803.81 1808.38 1826.11 1855.64 1857.54 1859.27 1875.65 1896.25 1917.50 1922.30 1944.35 1976.09 1989.36 2027.09 2035.19 2048.84 2073.45 2085.90 2090.41 2103.24 2125.64 2131.34 2131.81 2153.62 2166.15 2169.78 2194.88 2199.94 2212.62 2224.77 2242.54 2253.33 2260.05 2262.53 2284.44 2290.43 2291.95 2325.08 2329.91 2333.32 2338.96 2340.74 2342.66 2347.59 2351.09 2353.60 2358.96 2363.10 2364.29 2371.76 2376.12 2384.52 2391.43 2424.79 2509.46 2528.05 2602.89 2638.39 2889.31 2943.61 4610.51 4626.95 4630.75 4635.56 4644.29 4648.25 4653.27 4656.39 4692.70 4701.79 4704.98 4720.88 4728.89 4736.40 4754.61 4765.63 4768.66 4777.65 4779.30 4790.47 4818.88 4819.66 4824.86 4832.06 4858.29 4871.02 4922.13 4925.15 5299.22 5517.89 0.564697 0.594597 0.595541 0.499807 -1893.792201 -1893.762302 -1893.761357 -1893.857092 3.210968D-04 MUNgauss RevisionA2.0 retrievium 14-Dec-2020 DUDE CCC[NH+]1CCN(CC1)S(=O)(=O)c2cc(ccc2OC)c3c(nn4c3NC(=O)CCC4=O)C C33276603 RHF 6-31G(d) (6D,10F) C1 476.196766 |X|Y|Z| 136.077532 42.476960 51.293502 66.680790 23 6 7 16 17 5 1 |36.858105| |12.443163|36.858105| |7.585991|12.488866|36.858105| |4.918339|7.506038|12.633538|53.358707| |4.725105|7.216934|9.327050|25.690105|0.500000| |4.196666|6.109774|7.570969|17.194397|0.258619|36.858105| |3.184362|4.227923|4.939060|10.391252|0.196299|12.493257|36.858105| |2.850177|3.594432|4.448024|9.004155|0.165020|7.752634|13.127710|53.358707| |3.021483|3.790763|4.964312|10.381811|0.196049|6.589218|7.886050|17.859299|36.858105| |3.834627|4.948714|7.673064|17.195047|0.258585|7.637247|6.595602|10.554224|12.494818|36.858105| |2.517266|3.017520|3.674096|6.427029|0.114490|5.564523|7.101932|15.544509|7.111369|5.567819|388.023441| |2.541418|2.966281|3.749070|6.224818|0.108574|4.780805|5.217262|10.442475|6.879581|6.012851|94.463229|73.516695| |2.561815|3.068043|3.597957|6.010927|0.106257|5.812084|6.910993|10.463433|5.126503|4.598118|94.842492|13.699829|73.516695| |2.064381|2.408048|2.796960|4.686103|0.089100|3.860425|4.992133|9.468277|5.209300|3.960947|76.944387|13.123090|12.850695|36.858105| |1.886954|2.149655|2.497481|4.032575|0.076991|3.155928|3.780405|6.846349|4.382672|3.493379|50.156883|11.907927|9.177607|13.750676|36.858105| |1.665601|1.873258|2.125603|3.362110|0.065514|2.612235|3.088247|5.212381|3.448911|2.827022|33.764221|8.006091|6.942082|7.884324|13.694812|36.858105| |1.599871|1.805974|2.010575|3.190021|0.063066|2.523415|3.046047|4.924981|3.172659|2.596148|30.104606|6.652547|6.548143|6.948864|8.021718|13.703320|36.858105| |1.702006|1.949021|2.154276|3.480279|0.069147|2.837224|3.574162|5.658791|3.441327|2.767096|33.639130|6.817267|7.521192|7.971074|6.875497|7.830219|13.739866|36.858105| |1.937246|2.261579|2.538129|4.226331|0.082793|3.562710|4.763184|7.883906|4.340425|3.369217|49.136548|8.730265|10.563903|13.602114|7.851425|6.742364|7.932696|13.751513|36.858105| |2.071851|2.462432|2.713752|4.593702|0.090884|4.088596|5.859784|8.533842|4.397934|3.468261|46.093686|7.861676|11.306915|8.152343|5.267870|4.580854|5.215801|7.910074|14.265176|73.516695| |1.892018|2.219483|2.365715|3.876913|0.078362|3.400067|4.529235|6.030068|3.421549|2.835690|31.315383|5.929686|8.129411|5.231774|3.967072|3.762192|4.516318|6.719618|8.004407|23.979592|36.858105| |1.529210|1.690972|1.911039|2.947453|0.057565|2.237133|2.544704|4.180055|2.909849|2.481822|26.091957|6.667518|5.547139|5.044255|7.617430|12.856638|7.593356|5.022078|4.422906|6.004590|2.922648|36.858105| |1.468036|1.603396|1.808298|2.730937|0.052894|2.068980|2.286820|3.677904|2.576594|2.283558|23.286056|6.167571|5.136847|4.110397|5.740068|7.245610|5.178847|3.877967|3.580451|5.112530|2.527622|13.270133|36.858105| |1.363037|1.475015|1.652415|2.466951|0.048136|1.844289|2.013416|3.188056|2.284659|2.053313|19.398137|5.169548|4.325003|3.279819|4.274483|5.175831|4.107042|3.196823|2.943536|4.344910|2.195535|8.470099|14.827646|53.358707| |1.344381|1.459484|1.630847|2.452213|0.048360|1.819217|2.005821|3.183806|2.310255|2.045355|18.762655|4.928932|4.124709|3.222824|4.149813|5.228082|4.285321|3.281910|2.954854|4.354475|2.214764|8.666645|8.980352|19.062458|53.358707| |1.432933|1.574205|1.766051|2.704005|0.053486|2.017743|2.275743|3.677777|2.642280|2.269281|21.671417|5.566371|4.650450|3.949651|5.294709|7.479671|5.850199|4.160557|3.631008|5.161162|2.587666|14.014420|8.646653|11.589191|18.996637|36.858105| |1.424758|1.571119|1.753386|2.704475|0.054260|2.002347|2.281761|3.670515|2.675639|2.262561|20.613375|5.185692|4.400185|3.732619|4.653814|6.175989|5.550783|4.151453|3.573167|5.163646|2.623951|7.771605|5.349270|7.257768|10.592349|13.752263|53.358707| |1.309560|1.434947|1.580425|2.413963|0.048877|1.783787|2.015407|3.152991|2.307064|1.983868|17.274565|4.302652|3.785304|3.013287|3.524165|4.415261|4.363731|3.493201|2.994628|4.500442|2.365823|5.171473|4.083593|5.839655|8.203968|7.621692|18.768644|36.858105| |1.304849|1.433813|1.569004|2.405913|0.049211|1.775123|2.017639|3.123795|2.292988|1.960821|16.649281|4.083150|3.661665|2.875278|3.223609|3.892360|4.044704|3.418887|2.933853|4.498504|2.401588|4.174163|3.345918|4.642077|5.988529|5.405164|11.652637|15.988027|73.516695| |1.205889|1.307835|1.432995|2.155540|0.043473|1.591956|1.767112|2.725165|1.994506|1.758136|15.088171|3.805601|3.372235|2.554709|2.976045|3.638809|3.540271|2.887645|2.519255|3.855415|2.048018|4.465660|3.924805|6.085738|8.716210|6.403632|10.561917|12.653755|14.196426|36.858105| |1.211288|1.305357|1.439031|2.146261|0.043049|1.568924|1.717413|2.663142|1.978299|1.767624|14.850782|3.848342|3.304765|2.452271|2.903133|3.423185|3.142593|2.592136|2.341724|3.599897|1.884937|4.379880|4.127691|6.929431|10.372472|6.272551|8.900521|7.551014|9.639749|12.426403|36.858105| |1.248493|1.344010|1.490892|2.217396|0.044010|1.628961|1.774774|2.771725|2.042298|1.835976|15.900564|4.183980|3.540602|2.630102|3.213012|3.811339|3.331845|2.693021|2.453773|3.727995|1.928152|5.309536|5.535941|10.912908|18.377167|7.527059|8.337255|5.744295|7.568066|7.389782|12.596187|36.858105| |1.199650|1.281721|1.418448|2.086545|0.041293|1.529724|1.645609|2.546695|1.880649|1.719877|14.641218|3.888838|3.301730|2.358982|2.835485|3.242395|2.850403|2.366285|2.192839|3.381055|1.755279|4.321082|4.877501|9.759311|11.513808|5.362696|6.071991|4.255551|6.025112|5.312462|8.067651|16.138513|73.516695| |1.502651|1.635337|1.844547|2.757117|0.052742|2.117406|2.304938|3.658862|2.514734|2.281825|24.075206|6.430583|5.516741|4.044966|5.337998|5.817145|4.445857|3.600136|3.473684|5.070997|2.500961|7.237680|12.719938|10.699174|7.284691|5.194077|5.198512|3.111349|4.762221|3.017222|3.145252|3.984263|6.741066|36.858105| |17.597915|8.832188|5.518452|5.540852|0.112344|3.672116|2.887654|3.481141|2.663630|3.230726|16.151832|4.018528|4.149728|1.900323|1.737458|1.550076|1.502072|1.602117|1.808997|3.458969|1.804632|1.425553|1.368984|1.735467|1.714504|1.340533|1.818960|1.236289|2.196800|1.141383|1.142560|1.173797|2.006805|1.400031|0.500000| |17.563330|8.762509|6.879467|6.154657|0.115032|4.020955|3.049529|3.770552|2.893618|3.673393|17.972595|4.594042|4.635230|2.057343|1.890505|1.664163|1.589587|1.682969|1.915353|3.617410|1.852059|1.533332|1.484754|1.873898|1.834764|1.429741|1.919032|1.292432|2.276626|1.195516|1.205150|1.250028|2.143453|1.533968|0.302263|0.500000| |17.564245|8.754618|6.856678|6.247488|0.125379|3.732018|2.942275|3.695003|2.967831|3.787808|17.024527|4.371146|4.233044|1.987947|1.839180|1.629357|1.557818|1.643625|1.856950|3.488981|1.790084|1.507468|1.447399|1.839629|1.821106|1.422340|1.931111|1.306452|2.315759|1.204157|1.214607|1.248572|2.135223|1.472296|0.302078|0.301029|0.500000| |8.878337|17.582674|8.813631|9.107333|0.174126|6.653311|4.461334|4.922509|3.600306|4.457386|21.917108|5.235573|5.793768|2.449322|2.158210|1.882235|1.829704|1.994714|2.327618|4.583904|2.341388|1.687233|1.601460|1.995791|1.967089|1.560814|2.112732|1.418100|2.517684|1.293577|1.284984|1.326040|2.247534|1.644791|0.215040|0.210944|0.173143|0.500000| |8.848534|17.513584|8.858209|9.498312|0.219709|5.574826|4.160708|4.778345|3.764825|4.697591|20.338936|4.933166|5.077927|2.341784|2.088948|1.836976|1.785724|1.934338|2.230667|4.340800|2.223544|1.656965|1.558591|1.958928|1.954523|1.554696|2.133430|1.439382|2.575407|1.306870|1.298904|1.326971|2.242471|1.573263|0.213202|0.172819|0.211251|0.302513|0.500000| |7.043120|8.847123|17.615239|12.439039|0.220454|5.591272|4.164714|5.442792|4.764530|7.473427|23.785022|6.289257|5.628150|2.626302|2.401183|2.058835|1.933086|2.042431|2.370121|4.415559|2.174570|1.875954|1.778024|2.230532|2.211424|1.751411|2.375890|1.576792|2.783532|1.432155|1.447580|1.495344|2.533927|1.798794|0.142647|0.174249|0.209311|0.173355|0.209546|0.500000| |6.742404|8.761645|17.617944|12.406106|0.182175|7.101548|4.665057|5.887936|4.613587|6.920521|27.293985|7.151629|6.867381|2.851027|2.560388|2.161402|2.025568|2.157072|2.547369|4.794579|2.336581|1.948893|1.866049|2.310744|2.255456|1.784092|2.380277|1.568802|2.746593|1.430597|1.442936|1.509064|2.563646|1.931313|0.139176|0.199637|0.164731|0.212367|0.172958|0.301949|0.500000| |4.080021|5.520902|7.055879|12.366324|0.181695|17.631116|8.825581|9.420484|5.767330|6.900756|42.709201|9.451100|12.174311|3.934004|3.247710|2.653725|2.525490|2.803954|3.521301|6.995678|3.248730|2.282971|2.144430|2.585612|2.515534|2.033989|2.702301|1.759135|3.080088|1.582535|1.569351|1.647620|2.765323|2.237598|0.098316|0.114647|0.100015|0.169955|0.131433|0.146121|0.219196|0.500000| |4.538808|6.920704|6.981194|12.324572|0.226429|17.654983|8.810941|7.644377|4.952168|5.591864|30.921790|6.724466|8.406261|3.276069|2.724740|2.321546|2.281257|2.572403|3.146228|6.529774|3.218273|2.009690|1.868845|2.287263|2.260157|1.829786|2.482378|1.645917|2.927669|1.477871|1.451328|1.499195|2.511377|1.913387|0.113842|0.118038|0.107891|0.238165|0.178071|0.142326|0.175798|0.300199|0.500000| |2.887166|3.701304|4.107897|7.585589|0.144005|8.935159|17.706230|12.443345|5.694208|4.934826|49.160657|8.525907|14.306825|5.126672|3.772944|3.123414|3.156082|3.819000|5.201634|12.531462|5.433096|2.543885|2.295471|2.732018|2.702133|2.250708|3.046031|1.983211|3.521492|1.747092|1.685998|1.749096|2.885965|2.342682|0.074150|0.078044|0.073405|0.112429|0.100046|0.096899|0.112104|0.215174|0.211315|0.500000| |3.083698|4.093772|4.539970|9.294739|0.205401|8.814355|17.544272|12.576297|7.136536|5.797708|38.229499|7.528051|9.007733|4.348039|3.404416|2.884469|2.905529|3.423900|4.380088|9.659262|4.490457|2.399924|2.137901|2.593679|2.619939|2.189450|3.047936|2.003595|3.617424|1.747062|1.685962|1.719052|2.824991|2.119018|0.078949|0.080014|0.080066|0.117909|0.118436|0.109775|0.113517|0.173086|0.213821|0.302789|0.500000| |2.686562|3.221634|4.136886|7.584338|0.143933|4.928680|5.683351|12.386317|17.675467|8.948302|49.097410|13.753355|8.374814|5.535799|5.021871|3.862634|3.405464|3.546513|4.354670|7.303388|3.205559|3.291470|2.884115|3.471916|3.529420|2.989375|4.107561|2.546395|4.447875|2.184910|2.190793|2.273896|3.700202|2.765934|0.066158|0.072461|0.074362|0.084817|0.088301|0.114738|0.110606|0.129031|0.108695|0.127139|0.144982|0.500000| |2.930772|3.683779|4.556193|9.275543|0.204776|5.785130|7.128716|12.568322|17.547390|8.813633|38.262533|8.906536|7.485081|4.493843|3.835940|3.179568|3.018227|3.305533|4.040055|7.454103|3.390905|2.706901|2.375011|2.907999|2.989007|2.518595|3.563675|2.297208|4.135130|1.971646|1.937234|1.965054|3.205368|2.282669|0.072854|0.076230|0.080704|0.096392|0.106403|0.123933|0.112462|0.133376|0.130375|0.145110|0.214675|0.303163|0.500000| |3.860277|4.754715|7.140155|12.358200|0.227041|5.596426|4.955485|7.634897|8.787075|17.618880|30.895407|8.567376|6.511595|3.375306|3.100425|2.582141|2.370328|2.483440|2.924889|5.278709|2.497984|2.323699|2.148629|2.672676|2.683235|2.167400|2.967338|1.929255|3.401449|1.716922|1.738807|1.793211|2.996539|2.124186|0.089873|0.100970|0.111125|0.113460|0.129297|0.232044|0.170251|0.141809|0.126554|0.108788|0.130656|0.211086|0.213576|0.500000| |3.732798|4.592244|7.136750|12.358440|0.181640|6.895316|5.767917|9.421448|8.837407|17.644847|42.735001|13.005454|8.921620|4.044954|3.636111|2.889836|2.601510|2.733915|3.327769|5.966701|2.731390|2.556877|2.397255|2.914382|2.855460|2.304553|3.062512|1.958870|3.398501|1.752862|1.777524|1.872897|3.139811|2.442977|0.086830|0.103901|0.101433|0.117863|0.115013|0.189254|0.211914|0.204316|0.141657|0.129094|0.133524|0.215780|0.173221|0.299932|0.500000| |1.939493|2.190977|2.588558|4.118233|0.077504|3.136926|3.595427|6.547017|4.458733|3.682934|48.453262|14.232599|8.749878|8.973885|17.768505|8.902074|5.676742|4.957612|5.623678|7.595580|3.323499|7.020628|5.955728|6.084580|5.719819|5.065454|5.889841|3.298426|5.306125|2.858721|2.896637|3.276056|5.226720|5.718447|0.049226|0.054333|0.052808|0.060538|0.058636|0.069869|0.074583|0.091205|0.074605|0.097288|0.089092|0.148180|0.105317|0.091518|0.109979|0.500000| |1.469269|1.642838|1.808713|2.827308|0.056305|2.216623|2.621560|4.112032|2.717867|2.275682|24.302959|5.521731|5.454857|4.992095|5.681634|8.933884|17.724485|8.985297|5.663150|7.489821|3.926794|7.021253|4.984122|5.663106|6.097689|6.060150|8.022714|4.895635|7.993384|3.988512|3.375523|3.521396|5.291696|4.155811|0.038532|0.040534|0.039849|0.046192|0.045276|0.048557|0.050510|0.061485|0.056456|0.075349|0.070468|0.080569|0.072960|0.058556|0.063188|0.124428|0.500000| |1.615371|1.843306|2.002098|3.203549|0.064414|2.617924|3.265906|4.906397|3.029277|2.487323|27.670960|5.694584|6.493094|5.648218|4.958563|5.619950|8.961375|17.778306|8.897070|12.561578|7.461438|4.110713|3.310692|3.848781|3.983089|3.603937|5.027600|3.279058|5.861879|2.743393|2.420513|2.469287|3.882310|3.096362|0.042585|0.044225|0.043271|0.052638|0.051146|0.052685|0.055370|0.071212|0.067346|0.098105|0.089087|0.085020|0.082753|0.062609|0.067679|0.107689|0.218658|0.500000| |1.995938|2.362590|2.471383|4.044947|0.082300|3.649337|4.842746|5.904379|3.350555|2.851070|29.276711|5.592256|7.960565|4.405080|3.403156|3.166614|3.622580|4.906140|5.894336|16.947358|17.667329|2.544194|2.248874|2.690019|2.701345|2.278413|3.141072|2.101799|3.801529|1.842167|1.712803|1.749793|2.857965|2.250369|0.053221|0.054055|0.051972|0.070270|0.065962|0.062321|0.067452|0.095474|0.098869|0.169284|0.135725|0.084858|0.092986|0.069555|0.075769|0.082092|0.089316|0.145907|0.500000| |1.795991|2.095010|2.224310|3.634152|0.074812|3.074819|4.035285|5.484788|3.269475|2.682834|27.370635|5.401830|6.736862|4.677393|3.731856|3.676097|4.543741|6.690556|6.944056|16.407561|17.597040|2.892681|2.462356|2.950050|3.032989|2.626316|3.725780|2.504561|4.611191|2.139329|1.940859|1.954046|3.139966|2.377295|0.047727|0.048507|0.047608|0.060670|0.059027|0.057545|0.060339|0.080363|0.081244|0.126154|0.116456|0.086080|0.092779|0.066833|0.070810|0.086990|0.112941|0.227170|0.299952|0.500000| |1.759102|2.031615|2.158605|3.451720|0.069033|2.998069|3.782242|5.117268|2.982087|2.538416|28.370522|5.530966|7.596626|4.832542|3.837370|3.760367|4.620251|6.753674|7.137522|16.424446|17.606281|2.948709|2.585945|3.044570|3.038106|2.585867|3.507061|2.333503|4.166188|2.047988|1.878694|1.936825|3.145123|2.593908|0.046741|0.048247|0.046240|0.059637|0.056057|0.055323|0.059972|0.081773|0.079248|0.124833|0.101623|0.079166|0.080839|0.062614|0.069229|0.089296|0.114106|0.220471|0.300101|0.298172|0.500000| |1.512963|1.684447|1.887071|2.955451|0.059540|2.191341|2.544422|4.156846|3.023406|2.486630|22.975919|5.672304|4.803583|4.290950|5.277188|6.914167|6.377933|4.825861|4.140454|5.877325|2.941606|7.258620|4.826829|6.132180|7.929762|9.459613|25.976230|9.575398|14.384592|5.725019|4.934879|4.692909|6.514884|3.631267|0.039349|0.041410|0.041795|0.046212|0.046852|0.052052|0.051973|0.059827|0.055133|0.068946|0.069762|0.095257|0.082823|0.066172|0.067924|0.131146|0.177020|0.116842|0.071133|0.086186|0.078838|0.500000| |1.180046|1.279325|1.397344|2.098269|0.042170|1.565169|1.738244|2.664431|1.920763|1.699096|14.951807|3.739968|3.383140|2.552133|2.970606|3.709323|3.685501|2.965656|2.543691|3.880634|2.078486|4.596460|4.142794|6.443253|8.845458|6.292153|9.099816|8.939518|11.262628|17.527707|8.771759|7.019260|9.354590|3.192579|0.031079|0.032588|0.032601|0.035327|0.035406|0.038582|0.038912|0.043424|0.040455|0.048195|0.047511|0.057984|0.052442|0.045766|0.047293|0.078440|0.119490|0.078874|0.051727|0.060028|0.058535|0.142219|0.500000| |1.149775|1.243334|1.353280|2.027516|0.041122|1.493237|1.651186|2.516847|1.850056|1.640759|13.720693|3.444138|3.091598|2.283958|2.591046|3.077740|3.065658|2.591910|2.279200|3.554320|1.912386|3.588777|3.210974|4.877158|6.426278|4.737308|7.819648|9.136556|13.654543|17.637997|8.819844|5.497342|7.794171|2.578234|0.030333|0.031586|0.031944|0.034134|0.034643|0.037638|0.037383|0.041054|0.038744|0.045311|0.045685|0.055802|0.051280|0.044742|0.045193|0.069176|0.095340|0.069679|0.048135|0.055868|0.052994|0.130190|0.302999|0.500000| |1.137882|1.218801|1.335829|1.975498|0.039673|1.442397|1.565406|2.398975|1.783808|1.614085|13.312628|3.449252|2.999598|2.157822|2.505115|2.889212|2.695594|2.276599|2.073156|3.235949|1.710515|3.574320|3.503353|5.863026|7.782016|4.697696|6.523087|5.566820|7.889299|8.824727|17.635685|9.196724|13.901890|2.794961|0.029900|0.031476|0.031731|0.033330|0.033693|0.037379|0.037226|0.040115|0.037275|0.042758|0.042756|0.054381|0.048634|0.044277|0.045124|0.069725|0.080367|0.059780|0.043509|0.048852|0.047505|0.107566|0.200806|0.222392|0.500000| |1.253513|1.351379|1.496062|2.234344|0.044938|1.615891|1.765851|2.755121|2.081185|1.856099|15.166916|3.968410|3.336982|2.476135|2.922762|3.352305|3.037126|2.545237|2.339476|3.611872|1.876496|4.168153|3.839363|6.186997|8.821538|5.836903|8.902586|7.223530|9.785774|8.794393|17.531012|8.974773|11.652051|2.970833|0.032766|0.034554|0.035065|0.036754|0.037442|0.042060|0.041508|0.044715|0.041404|0.047700|0.048321|0.064617|0.056855|0.051133|0.051615|0.082004|0.088254|0.065643|0.047557|0.053776|0.051384|0.142420|0.173289|0.201660|0.304022|0.500000| |1.492093|1.630432|1.824011|2.736768|0.052412|2.140310|2.351491|3.682095|2.466132|2.228112|24.467832|6.233298|5.787210|4.212241|5.305537|5.917291|4.833468|3.947555|3.744615|5.441713|2.709399|6.509778|8.901439|8.196037|6.215516|4.665903|4.874920|2.975073|4.629544|2.860565|2.873866|3.496814|5.861037|17.560974|0.038772|0.042297|0.040358|0.045933|0.043581|0.048953|0.053040|0.062902|0.054008|0.067571|0.059921|0.073956|0.062416|0.057096|0.065932|0.146052|0.125769|0.094619|0.067170|0.070775|0.079765|0.096302|0.085456|0.068629|0.071476|0.074932|0.500000| |1.414766|1.523843|1.707186|2.514892|0.048222|1.917869|2.054862|3.203542|2.231864|2.064033|20.496085|5.509053|4.789771|3.297568|4.112933|4.420893|3.605325|3.009799|2.905583|4.376243|2.201006|5.475146|8.992536|10.285812|6.744642|4.438989|4.575601|2.842143|4.360172|2.855953|3.044105|3.924799|6.992536|17.622858|0.036721|0.040236|0.038597|0.042520|0.040693|0.046450|0.049730|0.056324|0.048567|0.057902|0.052794|0.067695|0.056708|0.053928|0.061401|0.122819|0.096706|0.073984|0.055713|0.058402|0.063487|0.087362|0.084404|0.068452|0.076887|0.079139|0.300170|0.500000| 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