Version2.1 2020-12-14T14:31:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 26-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3cccc(c3Cl)Cl)Cc4ccccc4 C36027435 RHF 6-31G(d) (6D,7F) CC[C@H](C)[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3cccc(c3Cl)Cl)Cc4ccccc4 C01[X(C24H30Cl2N3O3S1)] 183 C1 567 CC[C@@H]([C@@H]1[NH2+]C2(N(C1=O)Cc1ccccc1)CCN(CC2)S(=O)(=O)c1cccc(c1Cl)Cl)C CC[C@@H]([C@@H]1[NH2+]C2(N(C1=O)Cc1ccccc1)CCN(CC2)S(=O)(=O)c1cccc(c1Cl)Cl)C CC[C@H](C)[C@@H]1[NH2+]C2(CCN(CC2)[S](=O)(=O)c3cccc(Cl)c3Cl)N(Cc4ccccc4)C1=O InChIKey=IWGHREJIZKSERG-JTSKRJEESA-O InChI=1S/C24H29Cl2N3O3S/c1-3-17(2)22-23(30)29(16-18-8-5-4-6-9-18)24(27-22)12-14-28(15-13-24)33(31,32)20-11-7-10-19(25)21(20)26/h4-11,17,22,27H,3,12-16H2,1-2H3/p+1/t17-,22-/m0/s1 InChI=1/C24H29Cl2N3O3S/c1-3-17(2)22-23(30)29(16-18-8-5-4-6-9-18)24(27-22)12-14-28(15-13-24)33(31,32)20-11-7-10-19(25)21(20)26/h4-11,17,22,27H,3,12-16H2,1-2H3/p+1/t17-,22-/m0/s1/fC24H30Cl2N3O3S/h27H/q+1 CC[C@H](C)[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3cccc(c3Cl)Cl)Cc4ccccc4 C01[X(C24H30Cl2N3O3S1)] 183 C01 567 CC[C@@H]([C@@H]1[NH2+]C2(N(C1=O)Cc1ccccc1)CCN(CC2)S(=O)(=O)c1cccc(c1Cl)Cl)C CC[C@@H]([C@@H]1[NH2][C@]2(N(C1=O)C[C]1[CH][CH][CH][CH][CH]1)CCN(CC2)[S@@]([O])(=O)[C]1[CH][CH][CH][C]([C]1[Cl])Cl)C CC[C@H](C)[C@@H]1[NH2]C2(CCN(CC2)[S]([O])(=O)[C]3[CH][CH][CH][C](Cl)[C]3Cl)N(C[C]4[CH][CH][CH][CH][CH]4)C1=O InChIKey=UDXHEZPPSNIPHR-JTSKRJEESA-N InChI=1S/C24H30Cl2N3O3S/c1-3-17(2)22-23(30)29(16-18-8-5-4-6-9-18)24(27-22)12-14-28(15-13-24)33(31,32)20-11-7-10-19(25)21(20)26/h4-11,17,22H,3,12-16,27H2,1-2H3/t17-,22-/m0/s1 InChI=1/C24H30Cl2N3O3S/c1-3-17(2)22-23(30)29(16-18-8-5-4-6-9-18)24(27-22)12-14-28(15-13-24)33(31,32)20-11-7-10-19(25)21(20)26/h4-11,17,22H,3,12-16,27H2,1-2H3/t17-,22-/m0/s1 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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| 13.6721 17.5271 25.6326 33.1422 42.4922 50.0945 51.7894 60.3203 73.7415 81.6981 90.9304 98.0976 121.6795 129.3083 163.2622 173.9344 209.8187 213.7466 224.6404 228.1654 239.8762 251.7685 258.1282 269.2528 276.4220 292.2645 307.1503 316.3135 319.3701 340.4063 348.1948 362.0343 384.4369 418.9342 420.0172 455.4059 456.7145 461.3302 473.1090 504.3662 507.0224 517.9826 526.7962 537.1884 549.7026 556.3680 567.8847 593.6962 607.0295 623.9130 636.0683 662.1407 677.8667 684.9731 700.7056 741.1206 759.2211 782.6658 801.0669 811.8679 822.5141 838.9178 854.3138 858.8840 874.6583 879.3867 885.2887 906.4278 913.2870 957.3399 976.6668 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36.88 47.68 61.14 72.07 74.51 86.79 106.10 117.55 130.83 141.14 175.07 186.05 234.90 250.25 301.88 307.53 323.21 328.28 345.13 362.24 371.39 387.39 397.71 420.50 441.92 455.10 459.50 489.77 500.97 520.89 553.12 602.75 604.31 655.23 657.11 663.75 680.70 725.67 729.49 745.26 757.94 772.89 790.90 800.49 817.06 854.20 873.38 897.67 915.16 952.67 975.30 985.52 1008.16 1066.31 1092.35 1126.08 1152.56 1168.10 1183.41 1207.02 1229.17 1235.74 1258.44 1265.24 1273.73 1304.15 1314.02 1377.40 1405.21 1430.63 1451.45 1459.15 1478.79 1505.79 1518.10 1526.50 1551.31 1552.27 1566.80 1584.35 1592.09 1604.53 1618.21 1627.19 1632.83 1635.05 1639.64 1646.81 1655.51 1680.09 1710.26 1712.86 1735.05 1761.61 1765.59 1786.21 1792.36 1799.79 1830.18 1840.68 1858.69 1863.59 1878.42 1882.41 1884.40 1897.29 1934.14 1943.16 1944.87 1989.07 2027.08 2034.56 2048.22 2072.99 2086.72 2091.81 2121.74 2136.99 2146.58 2167.25 2176.29 2185.36 2191.72 2198.59 2216.47 2228.89 2232.25 2255.59 2261.50 2262.30 2265.69 2282.51 2315.98 2333.56 2335.01 2346.23 2352.53 2358.59 2360.33 2364.53 2373.00 2377.52 2386.73 2391.31 2406.26 2532.70 2547.51 2570.14 2603.94 2616.01 2891.11 4564.39 4584.54 4609.72 4621.72 4629.25 4666.25 4697.18 4702.58 4711.80 4713.85 4727.52 4731.19 4732.40 4735.10 4739.69 4749.32 4781.43 4789.67 4806.51 4820.92 4842.82 4853.19 4860.41 4873.03 4888.93 4890.94 4914.43 4946.55 5286.85 5389.71 0.559957 0.589187 0.590131 0.496407 -2629.875496 -2629.846266 -2629.845322 -2629.939046 3.143518D-04 MUNgauss RevisionA2.0 retrievium 14-Dec-2020 DUDE CC[C@H](C)[C@H]1C(=O)N(C2([NH2+]1)CCN(CC2)S(=O)(=O)c3cccc(c3Cl)Cl)Cc4ccccc4 C36027435 RHF 6-31G(d) (6D,10F) C1 510.138494 |X|Y|Z| 63.488648 38.922477 125.473900 67.683579 24 6 7 16 20 3 1 |36.858105| |12.457191|36.858105| |7.414361|12.358695|36.858105| |6.904274|8.918156|17.474858|0.500000| |6.131000|7.437290|12.417378|0.246612|36.858105| |4.884457|7.571103|12.369082|0.250390|7.442373|36.858105| |4.693071|7.230529|8.805092|0.211521|5.465841|17.604466|0.500000| |4.028478|5.782332|7.264615|0.151954|6.252969|12.496746|0.248245|36.858105| |4.127777|5.848952|6.222029|0.129565|5.740456|7.918145|0.184928|16.032189|73.516695| |3.190043|4.174893|5.244376|0.123110|4.914734|8.118174|0.182233|13.994510|14.847791|53.358707| |3.018701|3.844626|5.014564|0.128829|4.487742|7.791840|0.186282|8.078238|9.674347|17.811718|36.858105| |3.761611|4.942575|7.516027|0.200696|6.049759|12.678205|0.253471|8.191226|9.755104|11.469081|12.488040|53.358707| |3.733111|4.668182|7.373224|0.200789|7.017886|9.213604|0.182453|6.926026|8.905489|9.783599|9.151648|25.681350|0.500000| |3.595072|4.543014|6.459831|0.197021|5.047868|9.030173|0.229853|5.940114|7.818895|8.234722|9.003404|25.712654|0.326702|0.500000| |2.743356|3.447376|4.122793|0.110118|3.508919|6.063891|0.177868|5.919578|7.958941|10.286686|12.329988|10.487550|0.159588|0.208513|36.858105| |2.256850|2.722456|3.127437|0.083895|2.816320|4.145031|0.118513|4.356502|6.389355|7.691471|7.408737|6.748429|0.116739|0.135025|12.424065|36.858105| |2.084959|2.450668|2.865096|0.078243|2.680342|3.613261|0.098897|3.720667|5.520263|6.571308|6.497334|6.209539|0.114861|0.125903|7.734042|13.078068|53.358707| |2.162686|2.538667|3.047599|0.082046|2.975636|3.805371|0.098433|4.054846|5.951641|7.602746|7.388256|6.753935|0.132752|0.128576|6.502785|7.831844|17.788578|36.858105| |2.575284|3.086959|3.945643|0.105840|3.866004|5.109000|0.124026|5.239742|7.178285|10.229926|12.390325|10.518844|0.214570|0.184910|7.441508|6.506125|10.469212|12.418431|36.858105| |1.940711|2.226334|2.580973|0.072921|2.402656|3.107692|0.086547|3.013487|4.562942|4.909758|4.743474|5.316114|0.100584|0.115697|5.605287|7.124531|15.699440|7.141330|5.557648|388.023441| |2.027841|2.302226|2.736257|0.078953|2.581923|3.214612|0.087289|3.013304|4.524827|4.833782|4.776430|5.753135|0.113423|0.128578|5.019074|5.331418|10.379574|6.687600|6.085888|94.365040|73.516695| |1.935920|2.222648|2.517468|0.071622|2.278473|3.032064|0.087916|2.883987|4.413320|4.515957|4.244345|4.971770|0.091254|0.111292|5.563733|6.850082|10.474559|5.036447|4.379797|94.992108|13.732854|73.516695| |1.654935|1.860616|2.110103|0.059168|2.017453|2.452580|0.067744|2.446196|3.832797|3.920292|3.466407|3.990853|0.078100|0.084273|3.823269|4.856652|9.526562|5.479646|4.096906|76.179070|13.116679|12.800229|36.858105| |1.573883|1.743841|1.982426|0.056044|1.926204|2.246063|0.061308|2.218961|3.502620|3.498495|3.049374|3.653095|0.073432|0.077287|3.191715|3.743403|6.909708|4.616415|3.690959|50.319658|12.087272|9.205263|13.758358|36.858105| |1.415825|1.552879|1.740639|0.049003|1.706289|1.942338|0.053054|1.938109|3.112780|3.012800|2.533327|3.075285|0.062198|0.064401|2.626987|3.048566|5.261859|3.637577|2.984655|33.872786|8.101129|6.953017|7.942759|13.755927|36.858105| |1.342672|1.474592|1.632607|0.045597|1.595205|1.827586|0.050274|1.847797|2.997451|2.865634|2.361128|2.838266|0.056853|0.058969|2.488159|2.954115|4.924809|3.327097|2.702424|29.868890|6.665491|6.483100|6.901543|7.975821|13.838901|36.858105| |1.391318|1.542476|1.700752|0.047204|1.644881|1.932603|0.053615|1.971836|3.195123|3.081952|2.537443|2.985929|0.058891|0.061854|2.752786|3.414906|5.644561|3.605444|2.846964|33.309578|6.812476|7.426867|7.950404|6.875952|7.929087|13.706653|36.858105| |1.539863|1.728573|1.923005|0.053364|1.837800|2.229894|0.062160|2.269018|3.620194|3.605874|3.053705|3.502781|0.068075|0.072929|3.424117|4.493459|7.838006|4.540190|3.433453|48.359949|8.689244|10.393408|13.603827|7.871925|6.824538|7.907749|13.742296|36.858105| |1.586156|1.800714|1.974020|0.054178|1.857089|2.328776|0.066131|2.407779|3.866123|3.819800|3.167324|3.563175|0.067590|0.073614|3.759882|5.293282|7.932774|4.305841|3.328368|41.295536|7.255719|10.478901|6.965059|4.739619|4.217145|4.769921|7.064687|11.036826|448.794386| |1.277678|1.410446|1.529769|0.042185|1.480181|1.726243|0.048171|1.780591|2.935215|2.742741|2.188623|2.597024|0.051086|0.053387|2.377898|2.908851|4.461541|2.906922|2.373121|24.524535|5.144323|5.840052|4.750694|4.235135|4.797930|7.114342|11.020523|6.990766|48.566650|448.794386| |2.673142|3.324681|3.853918|0.092806|3.834664|5.081399|0.124785|7.773973|11.996224|17.636077|7.319720|7.018466|0.133512|0.116092|5.601365|5.182473|6.195167|5.390685|5.973564|23.577898|5.616837|5.363958|2.809674|2.499258|2.196524|2.128835|2.309649|2.668551|23.022266|16.797435|36.858105| |2.446378|2.913606|3.399776|0.083388|3.653018|4.083091|0.098402|5.520254|9.063506|10.299111|5.539545|5.876169|0.121897|0.099458|4.199996|4.073603|5.444838|5.139503|5.579148|21.593332|5.314616|4.764421|2.691173|2.470275|2.202356|2.120837|2.254225|2.542032|21.045932|16.360080|12.556757|36.858105| |2.077524|2.408740|2.744141|0.069352|2.910269|3.208891|0.080350|4.004329|6.702320|7.042049|4.380436|4.703373|0.097277|0.083522|3.628553|3.816540|5.349747|5.058820|4.779133|21.304076|5.149443|4.633643|2.793686|2.572753|2.334082|2.277369|2.424707|2.693221|22.097220|17.730311|7.577901|13.730249|36.858105| |1.910229|2.158335|2.440462|0.062442|2.654384|2.732621|0.068504|3.259183|5.565716|5.346456|3.487785|3.994929|0.084826|0.072321|2.936252|3.058516|4.411416|4.094390|3.919000|18.650601|4.617595|4.056696|2.527688|2.405306|2.231078|2.170029|2.257087|2.435403|19.410923|16.609693|5.016835|7.898393|13.725289|36.858105| |1.992381|2.221880|2.525283|0.064408|2.855554|2.734635|0.067428|3.219406|5.568491|5.056126|3.281175|3.955175|0.086406|0.071255|2.701862|2.701773|3.871643|3.556023|3.655734|16.923425|4.310576|3.713237|2.264428|2.195205|2.037259|1.955318|2.002399|2.149427|16.964608|14.699895|4.425698|6.832207|7.937600|13.776536|36.858105| |2.311059|2.599777|3.007926|0.075155|3.548568|3.216973|0.077049|3.866510|6.723600|5.936206|3.689328|4.576604|0.102236|0.080334|2.912022|2.785949|3.902879|3.579556|3.974387|17.047665|4.400725|3.775570|2.206387|2.128180|1.945964|1.851855|1.901407|2.068168|16.460338|13.879761|5.005198|7.907568|6.891980|7.953421|13.725839|36.858105| |2.624827|3.073025|3.635175|0.088090|4.234654|4.080237|0.095091|5.323332|9.074371|8.559619|4.789175|5.732702|0.126292|0.096448|3.577348|3.318163|4.502347|4.164252|4.868153|18.982183|4.847863|4.223218|2.374802|2.239855|2.012001|1.916299|1.997425|2.217768|17.994092|14.508822|7.515293|13.688513|7.959910|6.881174|7.928529|13.771827|36.858105| |17.581667|8.849423|5.451166|0.142427|4.632058|4.091394|0.114081|3.538663|6.620938|3.876592|2.683279|4.373898|0.087199|0.086186|2.506714|2.097534|2.621603|1.975236|2.299672|12.789593|3.302412|3.220390|1.548088|1.469430|1.330142|1.269364|1.318520|1.453439|12.100946|9.799181|2.449262|2.234046|1.922078|1.770968|1.835430|2.101594|2.366745|0.500000| |17.539819|8.752092|6.805620|0.207777|5.569798|4.562785|0.123480|3.620827|6.322511|4.052815|2.929696|5.066625|0.103459|0.102431|2.688325|2.211776|2.811154|2.130496|2.540690|13.925212|3.681028|3.483832|1.664466|1.592258|1.429373|1.348130|1.390466|1.538356|12.620110|10.201678|2.484486|2.290350|1.968077|1.818905|1.893517|2.175205|2.442795|0.302146|0.500000| |17.580826|8.727533|6.561677|0.164570|6.637613|4.398467|0.112250|3.834999|7.121256|4.196122|2.870982|4.782016|0.100162|0.091549|2.552248|2.134403|2.720778|2.106561|2.507600|13.182108|3.460022|3.245842|1.598487|1.530459|1.383218|1.310741|1.352096|1.487980|12.223882|9.977566|2.633113|2.473044|2.097536|1.952185|2.068335|2.426688|2.722164|0.303224|0.301071|0.500000| |8.906742|17.519726|8.865731|0.214965|5.470783|7.181447|0.228844|5.341933|9.340950|5.426261|3.794082|6.519723|0.119519|0.128038|3.605874|2.818315|3.386230|2.508531|2.997785|16.208437|4.140267|4.132761|1.889556|1.756707|1.561099|1.487396|1.564796|1.761613|14.884886|11.509455|3.182959|2.727113|2.290743|2.038654|2.063888|2.365801|2.785282|0.218586|0.209096|0.173212|0.500000| |8.834600|17.585771|8.831824|0.174465|6.788744|6.854927|0.178639|6.300359|12.972208|5.923809|3.755435|6.129572|0.118300|0.111315|3.349935|2.697205|3.277240|2.510813|3.007190|15.267348|3.891257|3.792996|1.815152|1.694385|1.517384|1.451164|1.524225|1.703476|14.364262|11.273079|3.572477|3.103664|2.536575|2.260758|2.328608|2.745254|3.285170|0.211039|0.172605|0.211950|0.303759|0.500000| |6.747371|6.682181|8.818061|0.217544|17.618088|5.465876|0.123038|4.645388|7.916696|5.233296|3.629467|6.417135|0.149724|0.117181|2.975821|2.452377|3.214583|2.591865|3.258830|15.422326|4.167846|3.678563|1.848426|1.784500|1.594080|1.489033|1.524672|1.687479|13.601799|11.057093|3.157175|3.073158|2.537037|2.369152|2.569806|3.133635|3.551865|0.137276|0.176826|0.225587|0.138214|0.163862|0.500000| |4.619651|5.406932|8.645096|0.206885|17.489690|6.828054|0.138553|5.939036|9.091073|7.089543|4.962504|9.155455|0.251470|0.151947|3.678004|2.972732|3.963952|3.339798|4.525616|18.517826|5.084729|4.287852|2.178637|2.096003|1.843907|1.707235|1.749793|1.958918|15.654737|12.502288|4.035802|4.000513|3.172005|2.910493|3.166271|3.990971|4.749395|0.102596|0.123474|0.135943|0.122254|0.139611|0.305162|0.500000| |5.597334|6.858928|8.767552|0.173382|17.589210|6.565623|0.138478|6.677874|12.229409|6.889226|4.245515|7.035341|0.158287|0.118457|3.340158|2.741916|3.518824|2.885596|3.645374|16.178417|4.261263|3.833443|1.938922|1.842810|1.645705|1.552473|1.607729|1.788811|14.640607|11.721161|4.134693|3.978668|3.101319|2.823765|3.071117|3.920581|4.779180|0.124264|0.132501|0.175172|0.140725|0.204472|0.301904|0.301190|0.500000| |2.731006|3.363853|4.037608|0.113697|3.373501|5.606231|0.170085|4.882336|6.784500|7.668163|8.812873|10.164030|0.156410|0.243088|17.535935|8.996100|9.493224|5.652921|6.528157|43.644521|10.171854|11.605282|3.935690|3.318850|2.690774|2.509165|2.744030|3.418554|29.239304|18.778988|4.313700|3.491271|3.086945|2.594923|2.429516|2.610002|3.107920|0.069196|0.076099|0.069893|0.099299|0.087967|0.081164|0.098372|0.086696|0.500000| |2.903776|3.744701|4.267189|0.111104|3.500214|6.438693|0.210046|6.455859|8.890314|9.926130|8.785798|9.150955|0.139744|0.178477|17.568241|8.824365|7.637276|4.899016|5.471517|31.118953|6.999642|8.169030|3.228392|2.735393|2.316513|2.230718|2.473617|3.005316|27.325630|17.676211|5.502752|3.954357|3.380644|2.743101|2.539856|2.756143|3.400326|0.074626|0.077870|0.073955|0.112118|0.102605|0.082451|0.097891|0.094171|0.301882|0.500000| |2.124129|2.529552|2.826984|0.076927|2.517524|3.629603|0.107589|3.695469|5.606150|6.029329|5.463445|5.662868|0.098848|0.118091|8.882201|17.705515|12.446830|5.675829|4.872651|49.197743|8.732295|14.508736|4.856611|3.663471|3.016950|2.976844|3.517597|4.693761|48.428264|24.393776|4.117979|3.339221|3.187363|2.637600|2.353026|2.410025|2.804758|0.055471|0.058169|0.055421|0.074002|0.069271|0.061924|0.072711|0.067919|0.221874|0.211814|0.500000| |2.187948|2.639777|2.977181|0.078046|2.733970|3.905448|0.110015|4.419774|6.683746|7.999765|6.563616|5.992681|0.106311|0.114709|8.735482|17.609510|12.601406|7.143620|5.770121|38.400824|7.595780|9.071511|4.258456|3.364437|2.843155|2.821510|3.287614|4.183775|41.172124|23.302963|6.103915|4.589762|4.386141|3.377264|2.897781|2.952062|3.552449|0.056850|0.058771|0.057950|0.075202|0.074336|0.065990|0.079568|0.075765|0.174366|0.212364|0.304031|0.500000| |1.997882|2.293244|2.734773|0.074747|2.725623|3.261877|0.084362|3.392990|5.120983|5.963613|5.466117|5.690821|0.116856|0.111345|4.885278|5.665673|12.397803|17.652184|8.895302|49.418964|12.796280|8.294951|6.083755|5.520230|4.250878|3.731325|3.885073|4.765160|33.005323|24.275189|4.293743|4.406719|4.556463|3.974869|3.497041|3.423741|3.769234|0.050768|0.055104|0.054454|0.062644|0.062684|0.067258|0.085688|0.073053|0.127056|0.107829|0.127133|0.145268|0.500000| |2.093637|2.459362|2.893292|0.076212|2.866504|3.592921|0.092779|4.071966|6.143633|7.811189|6.477516|5.955946|0.117353|0.110067|5.691749|7.093835|12.592258|17.639240|8.754340|38.533699|8.700209|7.473309|4.687279|3.980851|3.322874|3.159121|3.475218|4.243391|33.919901|23.383411|6.378238|6.276997|6.675349|4.984881|4.047428|3.949855|4.639984|0.053478|0.056582|0.057020|0.067149|0.068922|0.069246|0.088214|0.079328|0.131092|0.128440|0.145213|0.214751|0.305025|0.500000| |2.593160|3.069516|3.950673|0.103880|4.156959|4.838701|0.112898|5.195428|7.324423|9.879566|8.840400|9.169916|0.212841|0.154287|5.479661|4.921432|7.615560|8.806066|17.586670|30.852898|8.531437|6.267762|3.510862|3.291049|2.754254|2.501951|2.591806|3.018547|23.309570|17.641740|6.164264|6.643111|5.469333|4.584131|4.430373|4.984953|6.169947|0.063939|0.070512|0.071602|0.080573|0.084082|0.096767|0.141069|0.110631|0.135184|0.123944|0.107989|0.130810|0.210385|0.214274|0.500000| |2.560224|3.010406|3.881831|0.109336|3.756589|4.795887|0.118781|4.468294|6.261158|7.691160|8.932726|10.344637|0.220329|0.207279|6.558913|5.624006|9.380096|8.999045|17.573384|42.822079|13.763398|8.291303|4.246320|3.952600|3.118952|2.745484|2.835047|3.410372|25.644657|18.666451|4.509746|4.287120|3.805271|3.300504|3.163400|3.420282|3.984014|0.063243|0.071671|0.068900|0.081767|0.079389|0.090129|0.123171|0.094976|0.185605|0.135794|0.125834|0.131808|0.223267|0.174831|0.300867|0.500000| |1.642420|1.813152|2.085175|0.059551|2.033794|2.342764|0.063453|2.275796|3.567139|3.568700|3.161024|3.879230|0.079070|0.082977|3.227079|3.608614|6.607182|4.636493|3.915613|48.847281|14.598454|8.826025|8.962265|17.787272|8.904542|5.664042|4.959099|5.628379|31.464060|27.460538|2.495588|2.482037|2.540007|2.389319|2.220972|2.179433|2.290053|0.042343|0.046450|0.044410|0.050542|0.048556|0.052492|0.062055|0.053491|0.095027|0.076175|0.096412|0.088852|0.157336|0.107556|0.097204|0.122057|0.500000| |1.360454|1.478925|1.655871|0.046792|1.636302|1.821674|0.049540|1.808883|2.920166|2.781333|2.317834|2.870681|0.058717|0.060130|2.360924|2.658640|4.473158|3.201207|2.727301|28.067327|7.134601|5.902904|5.650196|8.920542|17.747418|8.948712|5.643937|4.929142|27.354740|31.818946|2.021632|2.051113|2.167415|2.107715|1.952946|1.864792|1.904712|0.035499|0.038267|0.037061|0.041139|0.040069|0.042779|0.049198|0.043765|0.067397|0.058300|0.072658|0.069254|0.104041|0.081677|0.071250|0.079895|0.214333|0.500000| |1.250132|1.363673|1.498782|0.041818|1.471595|1.660903|0.045673|1.683043|2.756090|2.582878|2.093911|2.547006|0.051243|0.052744|2.187662|2.549817|4.115072|2.841509|2.367459|24.155046|5.535709|5.404855|4.969896|5.658277|8.927094|17.754816|8.963091|5.651436|31.716060|55.048633|1.930352|1.937699|2.088843|2.018784|1.829320|1.723784|1.766081|0.032941|0.034849|0.033994|0.038150|0.037362|0.038367|0.043586|0.039917|0.061088|0.055233|0.071406|0.068573|0.087552|0.076245|0.061838|0.066557|0.124224|0.214807|0.500000| |2.402288|2.941517|3.343549|0.083118|3.236367|4.381186|0.113806|5.950178|9.258804|12.400721|6.872261|6.281895|0.116823|0.109226|6.076526|6.384656|7.299104|6.064402|5.863595|26.139873|5.943875|5.941404|3.127835|2.704638|2.368950|2.325692|2.577140|3.026904|26.944740|18.768228|17.639223|8.879894|7.326736|4.780471|3.982089|4.184635|5.582458|0.061884|0.062816|0.065076|0.080327|0.086351|0.075998|0.094411|0.094310|0.126048|0.163285|0.136478|0.237730|0.129252|0.214481|0.155398|0.123362|0.073611|0.059711|0.058157|0.500000| |2.747441|3.437597|3.787386|0.089456|3.742196|4.841178|0.121959|7.764210|14.372395|12.708400|5.630897|6.077843|0.115160|0.102744|4.732420|4.341815|5.078398|4.157011|4.536043|20.312088|4.829949|4.767427|2.462993|2.205388|1.967385|1.924607|2.087746|2.378571|20.806984|15.490631|17.638695|8.897284|6.108507|4.400507|4.002733|4.558612|6.542356|0.070861|0.069620|0.075253|0.091336|0.106578|0.086285|0.104666|0.116204|0.104687|0.139165|0.101289|0.141277|0.096085|0.132036|0.129384|0.101834|0.060997|0.050591|0.048957|0.304767|0.500000| |1.957183|2.271327|2.552570|0.065139|2.625837|3.025247|0.077806|3.717296|6.201308|6.550476|4.236930|4.440887|0.089391|0.080431|3.737652|4.183865|5.829144|5.288347|4.560029|22.579480|5.259065|4.922910|3.013385|2.710695|2.466776|2.451507|2.666917|2.981209|25.053034|19.677542|7.032762|8.900301|17.691549|8.934704|5.652837|4.960059|5.647280|0.050718|0.051707|0.054304|0.061017|0.066191|0.064035|0.078391|0.076777|0.087510|0.096856|0.097185|0.140102|0.130098|0.207400|0.134569|0.101626|0.072796|0.062748|0.062204|0.225172|0.160410|0.500000| |1.726599|1.930941|2.156201|0.055829|2.313613|2.397806|0.061139|2.792085|4.786191|4.500519|3.035047|3.506504|0.073831|0.064752|2.653807|2.834894|4.140746|3.730824|3.420860|17.846546|4.375391|3.886873|2.500762|2.396463|2.267061|2.232748|2.314891|2.450587|19.387780|17.242275|4.097925|5.633646|8.919184|17.726180|8.918546|5.649538|4.957000|0.044790|0.045919|0.048857|0.051122|0.055903|0.058170|0.069848|0.067671|0.065966|0.068981|0.069132|0.086895|0.103505|0.125219|0.107046|0.082097|0.065336|0.059612|0.058214|0.113850|0.102235|0.216222|0.500000| |1.838123|2.013693|2.262841|0.058390|2.561518|2.400437|0.059793|2.747906|4.789333|4.198602|2.799958|3.459342|0.075719|0.063410|2.361145|2.370066|3.417694|3.065333|3.120090|15.361927|3.936253|3.387821|2.092181|2.059240|1.939494|1.862774|1.885821|1.993138|15.575512|13.934323|3.541684|4.931709|5.643901|8.918646|17.729251|8.903555|5.642807|0.047266|0.048778|0.053243|0.052051|0.058319|0.065409|0.078409|0.075904|0.059972|0.061874|0.058287|0.069850|0.085764|0.094585|0.102610|0.077366|0.057949|0.052203|0.048886|0.090636|0.091072|0.124289|0.214727|0.500000| |2.349327|2.584471|2.971952|0.074568|3.633504|3.045749|0.072852|3.536858|6.248953|5.150238|3.275024|4.266984|0.096811|0.075723|2.619751|2.471361|3.453516|3.089271|3.482384|15.516281|4.056430|3.470761|2.011087|1.961983|1.803822|1.710157|1.741247|1.880331|14.890791|12.746440|4.083374|5.635191|4.962337|5.653245|8.908997|17.722416|8.934526|0.059173|0.061433|0.069730|0.064533|0.075595|0.091385|0.113418|0.112271|0.066479|0.069404|0.060282|0.071584|0.083219|0.091671|0.119055|0.086343|0.056231|0.048455|0.044466|0.096190|0.106814|0.107654|0.124170|0.214738|0.500000| 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