Version2.0 2020-03-06T09:59:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1nnc(n1CC=C)S[C@H](C)C(=O)Nc2ccc(cc2)NC(=O)C)NC(=O)c3ccc(cc3)Cl C39758128 RHF 6-31G(d) (6D,7F) C[C@@H](c1nnc(n1CC=C)S[C@H](C)C(=O)Nc2ccc(cc2)NC(=O)C)NC(=O)c3ccc(cc3)Cl C01[X(C25H27Cl1N6O3S1)] 183 C1 602 C=CCn1c(S[C@@H](C(=O)Nc2ccc(cc2)NC(=O)C)C)nnc1[C@@H](NC(=O)c1ccc(cc1)Cl)C C=CCn1c(S[C@@H](C(=O)Nc2ccc(cc2)NC(=O)C)C)nnc1[C@@H](NC(=O)c1ccc(cc1)Cl)C C[C@H](NC(=O)c1ccc(Cl)cc1)c2nnc(S[C@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)n2CC=C InChIKey=VEZQRIKSURVUDH-JKSUJKDBSA-N InChI=1S/C25H27ClN6O3S/c1-5-14-32-22(15(2)27-24(35)18-6-8-19(26)9-7-18)30-31-25(32)36-16(3)23(34)29-21-12-10-20(11-13-21)28-17(4)33/h5-13,15-16H,1,14H2,2-4H3,(H,27,35)(H,28,33)(H,29,34)/t15-,16+/m0/s1 InChI=1/C25H27ClN6O3S/c1-5-14-32-22(15(2)27-24(35)18-6-8-19(26)9-7-18)30-31-25(32)36-16(3)23(34)29-21-12-10-20(11-13-21)28-17(4)33/h5-13,15-16H,1,14H2,2-4H3,(H,27,35)(H,28,33)(H,29,34)/t15-,16+/m0/s1/f/h27-29H C[C@@H](c1nnc(n1CC=C)S[C@H](C)C(=O)Nc2ccc(cc2)NC(=O)C)NC(=O)c3ccc(cc3)Cl C01[X(C25H27Cl1N6O3S1)] 183 C01 602 C=CCn1c(S[C@@H](C(=O)Nc2ccc(cc2)NC(=O)C)C)nnc1[C@@H](NC(=O)c1ccc(cc1)Cl)C C=CCN1[C@@H](NN[C@H]1[C@@H](NC(=O)c1ccc(cc1)Cl)C)S[C@@H](C(=O)Nc1ccc(cc1)NC(=O)C)C C[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H]2NN[C@@H](S[C@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)N2CC=C InChIKey=DUNUXUFSJXXCMS-BATZWCAYSA-N InChI=1S/C25H31ClN6O3S/c1-5-14-32-22(15(2)27-24(35)18-6-8-19(26)9-7-18)30-31-25(32)36-16(3)23(34)29-21-12-10-20(11-13-21)28-17(4)33/h5-13,15-16,22,25,30-31H,1,14H2,2-4H3,(H,27,35)(H,28,33)(H,29,34)/t15-,16+,22+,25+/m0/s1 InChI=1/C25H31ClN6O3S/c1-5-14-32-22(15(2)27-24(35)18-6-8-19(26)9-7-18)30-31-25(32)36-16(3)23(34)29-21-12-10-20(11-13-21)28-17(4)33/h5-13,15-16,22,25,30-31H,1,14H2,2-4H3,(H,27,35)(H,28,33)(H,29,34)/t15-,16+,22+,25+/m0/s1/f/h27-29H 3756.4450062579 -2370.7295003 1-A 42827.4223 138 464 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.83209 -91.97421 -20.54289 -20.53433 -20.52889 -15.64752 -15.61606 -15.60637 -15.59064 -15.58442 -15.58284 -11.36976 -11.36037 -11.35791 -11.33779 -11.31417 -11.31359 -11.30628 -11.29705 -11.29008 -11.28549 -11.28532 -11.26128 -11.25635 -11.25581 -11.25535 -11.25385 -11.25262 -11.24663 -11.24529 -11.24335 -11.24019 -11.23253 -11.22947 -11.22946 -11.22716 -10.56553 -8.98411 -8.03493 -8.03157 -8.03156 -6.66701 -6.66543 -6.66343 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0.14681 0.02571 0.02311 5.69 9.84 15.07 28.28 32.49 38.54 40.01 42.80 51.13 58.80 66.25 84.51 103.06 116.26 123.47 133.19 139.24 152.38 190.94 207.45 226.00 231.80 269.35 286.97 294.23 331.50 356.36 373.69 378.74 389.09 414.15 433.47 455.19 465.15 473.04 498.59 526.94 568.77 597.21 605.40 614.32 620.90 641.14 658.74 661.24 715.18 733.12 752.35 773.27 785.93 806.05 814.47 827.74 834.69 845.98 910.26 954.02 958.11 982.53 996.55 1017.67 1075.43 1102.88 1106.15 1116.64 1138.48 1140.59 1167.58 1182.54 1213.99 1229.37 1240.14 1286.56 1320.08 1339.16 1362.31 1385.64 1405.19 1407.34 1416.63 1445.77 1457.79 1489.91 1509.69 1512.93 1571.46 1577.87 1584.61 1589.85 1590.46 1601.14 1608.00 1610.97 1622.63 1640.93 1676.28 1677.54 1707.43 1716.88 1725.07 1735.01 1736.31 1743.65 1763.39 1776.05 1810.64 1841.28 1849.46 1857.81 1860.73 1883.47 1898.46 1915.66 1949.62 1958.74 1973.80 2036.00 2041.58 2061.71 2070.04 2088.78 2104.54 2114.20 2167.75 2172.83 2181.21 2206.90 2232.72 2235.44 2242.22 2242.80 2259.52 2281.46 2304.15 2322.82 2344.95 2348.09 2355.95 2359.69 2365.05 2374.13 2401.24 2423.15 2434.88 2450.46 2473.40 2523.93 2539.97 2550.26 2597.52 2598.86 2629.56 2703.36 2768.15 2816.22 2847.95 4625.86 4626.41 4627.04 4695.26 4711.78 4714.31 4733.30 4742.03 4768.20 4768.81 4770.23 4789.61 4796.89 4802.68 4805.82 4826.33 4834.58 4864.27 4891.09 4900.95 4918.98 4919.31 4973.57 4991.79 5577.19 5588.08 5604.64 0.535143 0.569480 0.570424 0.457135 -2370.194357 -2370.160020 -2370.159076 -2370.272366 3.799765D-04 MUNgauss RevisionA2.0 retrievium 06-Mar-2020 DUDE C[C@@H](c1nnc(n1CC=C)S[C@H](C)C(=O)Nc2ccc(cc2)NC(=O)C)NC(=O)c3ccc(cc3)Cl C39758128 RHF 6-31G(d) (6D,10F) C1 526.155388 |X|Y|Z| 189.398038 74.416342 37.656410 80.964425 24 6 7 16 18 5 1 |36.858105| |12.412753|36.858105| |8.864215|17.629635|0.500000| |7.588956|12.648306|0.248785|36.858105| |5.689054|7.728237|0.162680|14.884168|53.358707| |4.333823|5.288809|0.125199|8.894539|18.983360|53.358707| |4.375926|5.276048|0.132758|8.896517|12.163395|20.223346|36.858105| |5.764258|7.468984|0.192081|13.960537|11.938137|11.900654|13.979643|53.358707| |5.144187|6.049617|0.183434|7.485024|7.225425|7.220229|7.511307|17.744629|36.858105| |4.123470|5.117935|0.170475|5.745962|6.003317|5.954970|5.642605|10.507569|12.655211|36.858105| |3.902456|4.693930|0.167415|4.629113|4.954778|4.718292|4.130940|7.312567|7.645068|14.457294|36.858105| |3.237989|3.630185|0.096957|4.952957|6.720543|9.494757|10.817785|9.459255|5.925185|4.916222|3.672615|388.023441| |2.753461|3.029272|0.078819|3.978583|6.039331|8.844384|6.965527|6.390021|3.890815|3.426908|2.770839|73.892189|36.858105| |2.823438|3.190161|0.082026|4.257612|6.878992|10.652334|7.186027|6.477154|3.768763|3.395171|2.762190|57.045315|17.659478|0.500000| |2.710285|2.842694|0.072667|3.618270|5.519241|7.512721|5.553818|5.565079|3.434182|2.928940|2.442074|48.392769|12.453006|0.245910|36.858105| |2.289093|2.498929|0.066710|3.106396|4.546155|5.963355|4.729080|4.914052|3.238427|3.015419|2.502220|50.352713|12.489922|0.243897|7.601291|36.858105| |2.165539|2.323926|0.062805|2.822983|3.992547|5.018254|4.134329|4.531641|3.137756|2.926134|2.451142|45.400881|8.030904|0.163223|6.270220|15.892243|73.516695| |2.087872|2.299488|0.061465|2.803408|4.179219|5.308119|3.951772|4.247891|2.790150|2.683672|2.277320|36.048790|7.876153|0.211236|5.619216|14.069094|14.937111|53.358707| |1.814645|1.981539|0.053551|2.340502|3.426578|4.136939|3.087255|3.497370|2.370567|2.331404|2.027857|27.073888|5.016650|0.135433|4.090852|7.629736|11.543059|18.337074|36.858105| |1.695337|1.856716|0.050131|2.161045|3.192999|3.757995|2.721653|3.143745|2.120930|2.109356|1.864075|22.335671|3.994984|0.114922|3.395654|5.158179|7.886054|10.839446|13.715306|36.858105| |1.513754|1.644629|0.044702|1.876955|2.735790|3.137074|2.287880|2.714904|1.865207|1.871501|1.681374|18.522664|3.131851|0.088575|2.767878|3.895911|6.399740|7.064005|7.917626|13.817287|36.858105| |1.438084|1.549360|0.042365|1.756023|2.520701|2.874178|2.137583|2.566022|1.794971|1.803292|1.628100|17.636971|2.891335|0.079128|2.592465|3.658404|6.394661|6.152670|6.798426|7.910571|13.703894|36.858105| |1.509132|1.620164|0.044382|1.849054|2.632135|3.035330|2.303160|2.749155|1.939756|1.937136|1.734483|19.728908|3.220455|0.085076|2.868341|4.302674|7.959398|6.947564|7.904248|6.904068|7.978868|13.718743|36.858105| |1.690090|1.823143|0.049719|2.120713|3.034363|3.590793|2.750884|3.200594|2.234687|2.206694|1.938726|24.591205|4.192225|0.107759|3.592071|6.255709|11.624265|10.470576|13.728372|7.979046|6.905537|7.899752|13.740181|36.858105| |1.301798|1.395115|0.038272|1.558923|2.224584|2.491738|1.849041|2.258687|1.593187|1.608420|1.471776|14.941144|2.381783|0.065467|2.181248|2.882173|5.099786|4.613453|4.524952|5.191439|7.966052|13.514037|7.702719|5.108728|53.358707| |1.222081|1.300725|0.035818|1.441963|2.038474|2.265376|1.695115|2.094101|1.494477|1.509868|1.391595|13.709730|2.136093|0.058027|1.982377|2.554422|4.642957|3.916267|3.653570|3.887734|5.143667|7.606069|6.241663|4.295823|19.009798|36.858105| |1.233078|1.307298|0.036075|1.449925|2.036253|2.267743|1.715021|2.122850|1.527454|1.539855|1.417977|14.063215|2.167144|0.057979|2.017809|2.616171|4.887189|3.906027|3.601741|3.602301|4.438730|6.503684|6.551987|4.483586|11.445922|15.916894|73.516695| |1.121588|1.190452|0.032808|1.306797|1.845564|2.026070|1.506640|1.880123|1.343496|1.360637|1.265927|11.949423|1.842674|0.050514|1.727981|2.139400|3.852296|3.243416|2.894956|3.135285|4.000878|5.028077|4.197243|3.223513|10.744943|12.569306|14.248644|36.858105| |7.711635|13.163175|0.258211|8.004977|9.475694|6.380208|4.281873|7.084083|4.279239|3.975287|3.775188|21.938688|2.740695|0.082312|2.577208|2.296825|3.755668|2.958588|1.891778|1.807152|1.606810|1.500204|1.547966|1.725850|1.848210|1.261365|2.237197|1.161839|53.358707| |5.946414|7.802614|0.204642|5.244195|6.378110|4.824027|3.338741|5.385786|3.545952|3.475681|3.508645|18.324276|2.311997|0.068745|2.181808|1.996680|3.302529|2.600387|1.694830|1.633639|1.471524|1.379842|1.416413|1.560174|1.716035|1.176723|2.084714|1.091368|19.233982|36.858105| |5.809105|6.902487|0.210820|4.584590|5.331160|4.237872|3.057188|5.035960|3.535757|3.532786|3.755367|17.295234|2.143668|0.062652|2.026665|1.876153|3.145639|2.428833|1.596036|1.531866|1.389631|1.314208|1.354306|1.485824|1.641069|1.132100|2.013120|1.051480|11.591144|15.809431|73.516695| |4.206156|5.027617|0.131365|4.011767|5.343636|4.216873|2.842616|4.318736|2.837382|2.822882|2.833542|16.110962|2.108862|0.063352|1.998745|1.846465|3.039726|2.449849|1.613065|1.578331|1.429642|1.332862|1.353827|1.478871|1.666807|1.140586|2.008853|1.064316|10.689036|12.683528|14.336106|36.858105| |3.526831|3.895224|0.105566|3.168514|4.184408|3.451474|2.373307|3.578796|2.432703|2.437705|2.502011|13.919299|1.830461|0.054332|1.751437|1.628738|2.708603|2.166075|1.444303|1.418058|1.297989|1.217101|1.233746|1.336135|1.533964|1.055350|1.859360|0.990431|7.115807|7.706344|12.076146|13.709495|36.858105| |2.851534|3.099431|0.083710|2.664421|3.617671|3.069734|2.097873|3.081995|2.096365|2.108366|2.149327|12.560147|1.683737|0.050090|1.616655|1.514330|2.516778|2.035352|1.368934|1.356880|1.249417|1.169027|1.176854|1.265926|1.481084|1.018786|1.788237|0.961101|5.390332|5.068058|8.107322|7.907086|13.784170|36.858105| |2.657600|2.940447|0.078210|2.632988|3.691754|3.157635|2.119727|3.046237|2.037444|2.048613|2.052103|12.705906|1.733759|0.052142|1.659906|1.560546|2.572755|2.119616|1.426212|1.425882|1.310894|1.217407|1.217778|1.308887|1.541524|1.055182|1.843652|0.996409|5.134700|4.465171|6.817134|6.887817|7.988832|13.764821|36.858105| |2.902430|3.331997|0.086825|3.049427|4.400225|3.701746|2.428146|3.455026|2.252410|2.257168|2.219267|14.279893|1.961392|0.059855|1.862380|1.746609|2.847733|2.380935|1.586879|1.588468|1.446569|1.332828|1.332121|1.441166|1.676183|1.140116|1.988424|1.071627|6.059707|5.000675|7.125858|7.905449|6.872343|7.905640|13.782519|36.858105| |3.627607|4.390327|0.112023|3.881263|5.552594|4.431151|2.884816|4.201489|2.685558|2.674651|2.613081|16.367435|2.202958|0.067443|2.076073|1.927329|3.132586|2.595158|1.705935|1.687184|1.521815|1.404060|1.415099|1.545981|1.752391|1.191077|2.086000|1.111841|8.918341|7.482440|9.404115|13.712017|7.949678|6.869067|7.985211|13.760720|36.858105| |2.148076|2.323835|0.062260|2.143978|3.026500|2.675595|1.806663|2.552178|1.725169|1.738237|1.740094|11.113845|1.539093|0.046102|1.481851|1.405660|2.325596|1.926344|1.312143|1.324038|1.229132|1.141978|1.134447|1.208260|1.457318|0.999326|1.740051|0.950327|3.835849|3.171053|5.073537|4.226698|4.777450|7.042919|10.940002|7.048563|4.776462|448.794386| |17.549500|8.734512|0.210499|6.862253|6.906826|5.714596|4.514168|8.327084|5.953821|4.434222|4.152671|24.498104|2.834157|0.078745|2.808763|2.360740|4.028812|2.881556|1.839022|1.699187|1.518528|1.453748|1.538846|1.729105|1.788707|1.238599|2.233928|1.133116|7.598138|4.572603|8.284317|3.429725|2.969436|2.467384|2.314940|2.505094|3.037822|15.388471|0.500000| |17.605842|8.856454|0.215012|5.538630|6.059934|4.794074|3.542317|6.086041|4.253281|3.654788|3.650798|19.622623|2.386454|0.067955|2.348854|2.032399|3.441650|2.552529|1.653291|1.556648|1.402840|1.336436|1.396379|1.548867|1.658561|1.148168|2.057886|1.059472|9.529187|6.388566|12.250778|4.438924|3.874777|3.058540|2.759660|2.930588|3.628745|17.790890|0.300976|0.500000| |17.573273|8.811958|0.173721|6.901970|8.080352|6.093886|4.280661|7.061959|4.374720|3.523181|3.270013|22.523559|2.802950|0.080339|2.836145|2.303473|3.844992|2.867963|1.824266|1.709453|1.522463|1.440603|1.507689|1.689853|1.773602|1.220540|2.184919|1.120848|9.507969|5.301417|8.624290|4.063609|3.409486|2.819308|2.672076|2.941043|3.634947|17.449186|0.301100|0.299719|0.500000| |6.210527|6.618013|0.207282|6.919167|6.572143|6.144682|5.741714|12.496203|17.633129|8.896013|7.261354|32.688541|3.303209|0.089270|3.056645|2.787649|4.841225|3.316908|2.103740|1.903459|1.692413|1.633819|1.755924|1.996923|1.992838|1.381067|2.509004|1.250443|6.037614|3.738938|6.852021|2.915968|2.528151|2.152209|2.057868|2.245288|2.682737|13.924179|0.220547|0.142270|0.137666|0.500000| |4.260548|4.633674|0.134331|5.707065|6.170612|6.658110|7.122633|12.598202|17.601765|8.893719|6.019348|49.077234|4.199928|0.107549|3.726843|3.533936|6.276657|4.007483|2.494866|2.189754|1.924544|1.871308|2.052300|2.386242|2.250485|1.557102|2.851421|1.390750|4.773036|2.970577|5.258390|2.459536|2.145381|1.880415|1.838296|2.020048|2.359297|12.696522|0.139068|0.099937|0.105660|0.304395|0.500000| |3.520039|4.375933|0.137706|5.175071|5.840640|6.116097|5.804434|9.339425|8.658664|17.681498|9.152965|38.574808|3.739428|0.103620|3.056770|3.355332|5.736478|4.087750|2.598698|2.338374|2.059506|1.977961|2.129427|2.444650|2.382230|1.633234|2.957285|1.462672|4.933184|3.176109|5.596657|2.672741|2.305609|2.026588|1.999919|2.221833|2.603853|13.747534|0.102386|0.087126|0.086760|0.171897|0.204889|0.500000| |4.274575|4.870286|0.179194|4.446943|4.705944|4.367420|3.741560|6.710862|6.930965|9.077505|17.692346|23.356601|2.537631|0.070036|2.300942|2.280595|3.989253|2.824732|1.855455|1.712368|1.552558|1.506590|1.601787|1.780379|1.864112|1.300176|2.356557|1.188337|5.215823|3.639902|7.222142|2.879200|2.578883|2.190685|2.057422|2.195898|2.587057|13.959418|0.129196|0.114263|0.096588|0.217711|0.153472|0.173347|0.500000| |3.276939|3.909885|0.134816|3.851145|4.335880|4.170762|3.542509|5.853940|5.482464|9.114037|17.727067|23.163077|2.544210|0.070913|2.230709|2.354464|4.106492|2.968013|1.971804|1.828357|1.662921|1.613211|1.709815|1.892573|1.995922|1.388993|2.511985|1.267768|4.568316|3.222743|6.136663|2.688943|2.408045|2.094499|2.005318|2.155832|2.501091|13.769649|0.094445|0.087082|0.078215|0.143173|0.129781|0.218404|0.289360|0.500000| |2.423763|2.536712|0.064939|3.136668|4.855905|6.306105|4.408003|4.631200|2.899162|2.547810|2.169832|36.050359|8.838711|0.212035|17.536236|6.914857|9.972364|7.919927|4.320996|3.658886|2.958198|2.731779|2.980268|3.706337|3.115914|2.061719|3.700707|1.797113|3.216187|2.026479|3.335433|1.890513|1.666919|1.555538|1.609776|1.805385|1.984986|11.657338|0.068772|0.059227|0.070949|0.072846|0.085660|0.074083|0.056981|0.055796|0.500000| |2.572686|2.642866|0.068522|3.273358|4.767069|6.121845|4.828196|5.142154|3.344525|2.839691|2.385240|45.207847|8.814779|0.173577|17.609211|6.965825|12.027380|6.759261|3.842862|3.140148|2.627722|2.532224|2.863250|3.573022|2.918881|1.977903|3.628420|1.718923|3.221449|2.030852|3.402809|1.852082|1.640678|1.514008|1.542199|1.710695|1.899177|11.098712|0.075516|0.062412|0.074091|0.083518|0.104248|0.081593|0.062811|0.060475|0.300405|0.500000| |3.085514|3.191025|0.079554|4.135217|6.477546|8.865661|6.186354|6.192194|3.660486|3.021307|2.521359|45.167747|8.837878|0.214363|17.612084|5.525560|8.431918|6.056706|3.394996|2.941053|2.445287|2.283927|2.479967|3.005847|2.664611|1.789521|3.224467|1.581230|3.907070|2.385968|3.907176|2.168471|1.885800|1.729092|1.771338|1.994993|2.246101|12.583139|0.088535|0.073008|0.091731|0.091910|0.108118|0.085572|0.066759|0.063215|0.301286|0.299470|0.500000| |2.162797|2.408800|0.063788|2.959494|4.542443|5.827575|4.117790|4.373221|2.793084|2.687424|2.283357|34.576767|7.706991|0.248897|5.523112|9.504679|10.885878|26.085670|9.332861|7.657571|4.930026|4.066901|4.279802|5.738699|4.284794|2.657344|4.626387|2.251478|3.145968|2.019366|3.315132|1.917102|1.682575|1.584590|1.663995|1.888008|2.057968|12.118159|0.060149|0.053855|0.061005|0.067922|0.080069|0.083356|0.057847|0.060711|0.163017|0.127883|0.126913|0.500000| |1.754610|1.935541|0.051913|2.260158|3.398665|3.997454|2.814958|3.233923|2.143635|2.128716|1.880859|22.239758|4.036792|0.122452|3.428207|4.825386|7.083004|9.985329|8.889171|17.691739|8.978222|5.643936|4.966252|5.654323|5.745515|3.278325|5.379487|2.771381|2.595041|1.718198|2.839110|1.672697|1.495200|1.435020|1.520089|1.707178|1.808872|11.331918|0.048412|0.044702|0.049374|0.053505|0.060680|0.065419|0.048033|0.051174|0.103684|0.085566|0.084021|0.234549|0.500000| |1.442836|1.567623|0.042589|1.772393|2.590447|2.926869|2.109485|2.529824|1.735200|1.747441|1.583933|16.616024|2.768717|0.079642|2.483769|3.284415|5.376883|5.745095|5.647553|8.979965|17.692467|8.887638|5.654205|4.967075|9.981900|4.812409|7.084689|4.042798|2.106013|1.425874|2.390014|1.397786|1.273592|1.233810|1.300675|1.433709|1.495505|9.861502|0.039981|0.037322|0.040374|0.044026|0.049293|0.053139|0.040770|0.043677|0.073882|0.065164|0.062102|0.116992|0.218317|0.500000| |1.436114|1.530787|0.042112|1.731629|2.439407|2.784462|2.131996|2.580857|1.846721|1.846421|1.666007|18.252706|2.881985|0.075268|2.618161|3.743411|7.228795|5.640960|5.650525|4.976914|5.668283|8.927620|17.828769|8.965145|9.512201|6.824097|15.080881|4.430105|1.983297|1.339946|2.291578|1.278197|1.170892|1.116685|1.150332|1.250917|1.327492|8.617559|0.040861|0.037051|0.039753|0.046714|0.054558|0.056021|0.042906|0.045708|0.074728|0.074039|0.063462|0.098070|0.107897|0.124197|0.500000| |1.744082|1.869182|0.051101|2.179777|3.080645|3.660558|2.873486|3.346958|2.368452|2.318276|2.024944|26.770800|4.425058|0.108321|3.817419|6.831263|15.030204|9.497889|8.925770|5.667674|4.977446|5.648862|8.967509|17.825662|5.645557|3.739678|7.240209|2.884347|2.377126|1.574757|2.680038|1.479134|1.336849|1.259903|1.294474|1.421132|1.533161|9.551616|0.050045|0.044274|0.048293|0.058622|0.071533|0.071129|0.051686|0.054581|0.106228|0.109641|0.087615|0.143011|0.124185|0.107907|0.217567|0.500000| |1.268897|1.361933|0.037314|1.515788|2.171953|2.416768|1.776186|2.176390|1.528063|1.545511|1.419880|14.105020|2.249994|0.062727|2.067391|2.661222|4.624140|4.284044|4.069471|4.930156|7.657992|9.348272|5.742084|4.281598|26.076937|9.476441|10.891799|7.738605|1.817553|1.243632|2.109593|1.215514|1.120285|1.086355|1.135033|1.234314|1.283536|8.654175|0.035416|0.033071|0.035338|0.039123|0.043738|0.046620|0.036759|0.039370|0.060520|0.055947|0.052024|0.083452|0.116973|0.234431|0.143130|0.098111|0.500000| |1.116314|1.189984|0.032842|1.303443|1.842356|2.014655|1.492941|1.867592|1.332679|1.357898|1.266694|11.736793|1.802467|0.049875|1.677510|2.074918|3.693109|3.168727|2.808711|3.112388|3.995246|4.750960|3.850375|3.039329|9.859928|8.786611|10.699290|17.560664|1.588011|1.098874|1.880510|1.075487|1.001332|0.973960|1.012079|1.088832|1.126516|7.766764|0.031225|0.029338|0.030950|0.034443|0.038113|0.040640|0.032974|0.035375|0.048351|0.046014|0.042858|0.061832|0.077623|0.116644|0.108753|0.075097|0.224745|0.500000| |1.079128|1.141621|0.031551|1.247557|1.751542|1.914779|1.431385|1.798029|1.294067|1.312551|1.226650|11.356524|1.727674|0.047108|1.626412|1.993955|3.630825|2.967494|2.598518|2.737928|3.348839|4.144318|3.713171|2.923484|7.853994|8.972286|13.510392|17.644825|1.512822|1.047015|1.800299|1.019282|0.951383|0.922662|0.953353|1.021573|1.060166|7.301928|0.030356|0.028380|0.029895|0.033555|0.037279|0.039079|0.032050|0.034177|0.046673|0.045248|0.041485|0.057054|0.067759|0.092439|0.112867|0.074616|0.151503|0.299340|0.500000| |1.096868|1.159985|0.031850|1.272157|1.803728|1.977617|1.461813|1.822054|1.296118|1.304356|1.213622|11.525085|1.793654|0.049260|1.702654|2.066178|3.700977|3.132510|2.769371|3.023008|3.823193|4.610313|3.845396|3.030721|9.266641|8.895619|11.336443|17.544226|1.544579|1.065649|1.822125|1.041849|0.970494|0.943691|0.979777|1.053239|1.090035|7.521297|0.030743|0.028789|0.030563|0.033613|0.037233|0.038771|0.031759|0.033647|0.049594|0.047002|0.043358|0.060809|0.075153|0.109361|0.110605|0.075481|0.197105|0.300969|0.300452|0.500000| |6.344822|9.103880|0.183497|7.692830|11.130154|7.066529|4.402737|6.774285|3.907190|3.590687|3.318783|22.284945|2.887599|0.088547|2.730087|2.390718|3.855242|3.106774|1.972891|1.895620|1.675056|1.550976|1.592885|1.780183|1.905190|1.293461|2.285609|1.190863|26.079838|9.299592|10.839956|7.362689|4.880734|3.907155|3.916985|4.870562|7.316757|23.550460|0.134319|0.155147|0.181161|0.108951|0.091627|0.093985|0.091628|0.083121|0.070145|0.068488|0.085304|0.068305|0.056087|0.044908|0.041424|0.049743|0.038334|0.033230|0.031535|0.032393|0.500000| |3.610400|3.845916|0.107002|3.049825|3.916976|3.260157|2.285597|3.497992|2.433749|2.439145|2.551469|13.518703|1.756626|0.051586|1.686954|1.568349|2.629334|2.071492|1.384556|1.352328|1.241646|1.171483|1.192398|1.290040|1.479003|1.021919|1.806438|0.959232|6.612806|7.242323|13.584932|8.956932|17.758443|8.922966|5.666407|4.955042|5.663265|31.600031|0.085034|0.114825|0.094828|0.071472|0.059604|0.063214|0.074510|0.068082|0.044407|0.044266|0.050405|0.044367|0.039356|0.033756|0.031565|0.036019|0.029932|0.026895|0.025666|0.026089|0.120553|0.500000| |2.558209|2.712796|0.074098|2.348927|3.168085|2.734998|1.889133|2.769707|1.911771|1.926034|1.979363|11.488622|1.541173|0.045521|1.486699|1.397333|2.336407|1.878057|1.271474|1.261158|1.168247|1.097677|1.104572|1.182611|1.397031|0.964544|1.694165|0.912957|4.513627|4.131032|7.004103|5.628597|8.903264|17.751586|8.922378|5.638224|4.952666|53.843932|0.062493|0.076886|0.070146|0.054755|0.048034|0.051384|0.056361|0.053862|0.039826|0.038920|0.043990|0.040415|0.036904|0.032089|0.029213|0.032722|0.028475|0.025698|0.024398|0.024915|0.090076|0.214029|0.500000| 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