Version2.4 2021-05-26T08:44:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NNC(=S)NC(=O)c2ccc(cc2)C(=O)OC C10455876 RHF 6-31G(d) (6D,7F) CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NNC(=S)NC(=O)c2ccc(cc2)C(=O)OC C01[X(C22H24Br1N3O5S1)] 162 C1 547 COC(=O)c1ccc(cc1)C(=O)NC(=S)NNC(=O)COc1ccc(cc1Br)C(C)(C)C COC(=O)c1ccc(cc1)C(=O)NC(=S)NNC(=O)COc1ccc(cc1Br)C(C)(C)C COC(=O)c1ccc(cc1)C(=O)NC(=S)NNC(=O)COc2ccc(cc2Br)C(C)(C)C InChIKey=RKONIYJZORUBEE-UHFFFAOYSA-N InChI=1S/C22H24BrN3O5S/c1-22(2,3)15-9-10-17(16(23)11-15)31-12-18(27)25-26-21(32)24-19(28)13-5-7-14(8-6-13)20(29)30-4/h5-11H,12H2,1-4H3,(H,25,27)(H2,24,26,28,32) InChI=1/C22H24BrN3O5S/c1-22(2,3)15-9-10-17(16(23)11-15)31-12-18(27)25-26-21(32)24-19(28)13-5-7-14(8-6-13)20(29)30-4/h5-11H,12H2,1-4H3,(H,25,27)(H2,24,26,28,32)/f/h24-26H CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NNC(=S)NC(=O)c2ccc(cc2)C(=O)OC C01[X(C22H24Br1N3O5S1)] 162 C01 547 COC(=O)c1ccc(cc1)C(=O)NC(=S)NNC(=O)COc1ccc(cc1Br)C(C)(C)C COC(=O)[C]1[CH][CH][C]([CH][CH]1)C(=O)NC(=S)NNC(=O)CO[C]1[CH][CH][C]([CH][C]1Br)C(C)(C)C COC(=O)[C]1[CH][CH][C]([CH][CH]1)C(=O)NC(=S)NNC(=O)CO[C]2[CH][CH][C]([CH][C]2Br)C(C)(C)C InChIKey=RKONIYJZORUBEE-UHFFFAOYSA-N InChI=1S/C22H24BrN3O5S/c1-22(2,3)15-9-10-17(16(23)11-15)31-12-18(27)25-26-21(32)24-19(28)13-5-7-14(8-6-13)20(29)30-4/h5-11H,12H2,1-4H3,(H,25,27)(H2,24,26,28,32) InChI=1/C22H24BrN3O5S/c1-22(2,3)15-9-10-17(16(23)11-15)31-12-18(27)25-26-21(32)24-19(28)13-5-7-14(8-6-13)20(29)30-4/h5-11H,12H2,1-4H3,(H,25,27)(H2,24,26,28,32)/f/h24-26H 4056.3274870231 -4352.1544921 1-A 18290.4882 134 413 547 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.10020 -91.87751 -64.51042 -58.64870 -58.64694 -58.64678 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0.4392 0.3656 0.3380 0.8420 0.8117 0.3828 0.8463 0.4120 0.3231 0.8563 0.8444 0.8240 0.8375 0.8566 0.8563 0.8571 0.8496 0.8568 0.8401 0.1854 0.6231 0.7961 0.7477 0.8221 0.8385 0.8435 0.6872 0.6729 0.6443 0.4144 0.6130 0.2864 0.5598 0.2792 0.0457 0.0092 0.1276 0.8412 0.8571 0.8538 0.8536 0.8130 0.8404 0.7053 0.8453 0.8444 0.7679 0.5421 0.2882 0.8486 0.5863 0.3073 0.3794 0.1232 0.6616 0.2692 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 6 6 6 6 6 6 6 6 6 6 35 8 6 6 8 7 7 6 16 7 6 8 6 6 6 6 6 6 6 8 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 15.99491 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14676.6726 21355.3032 31074.0446 0.99998 -0.00551 -0.00051 0.00551 0.99979 0.01951 0.00041 -0.01951 0.99981 1 0.00590 0.00406 0.00279 0.12297 0.08451 0.05808 15.84 22.83 37.99 45.34 49.59 62.42 66.67 76.91 88.15 98.57 117.63 127.07 144.26 191.51 198.86 211.26 219.97 235.68 242.50 266.58 278.72 293.70 363.49 371.16 373.53 384.17 416.75 419.97 443.00 452.55 480.22 504.07 515.64 533.24 538.60 574.93 589.96 647.11 662.06 671.99 688.76 705.79 717.68 728.07 752.96 761.50 819.01 825.72 846.19 852.76 931.15 952.65 984.50 999.41 1001.29 1037.52 1070.39 1088.27 1113.05 1129.21 1136.51 1189.51 1201.48 1244.42 1281.22 1285.97 1317.55 1361.54 1368.64 1414.78 1429.59 1443.42 1454.03 1469.63 1500.15 1504.12 1514.77 1567.75 1588.92 1609.37 1630.64 1634.33 1647.00 1649.47 1658.09 1661.45 1721.39 1728.64 1752.27 1762.84 1782.85 1787.07 1804.63 1859.95 1867.24 1883.41 1903.31 1926.26 1937.59 1944.40 1959.12 1985.27 1997.26 2024.43 2028.18 2047.74 2084.09 2090.89 2104.39 2131.31 2209.17 2216.52 2239.58 2247.77 2250.22 2284.82 2347.34 2348.42 2350.20 2351.30 2357.23 2361.92 2371.87 2377.21 2386.38 2400.24 2403.45 2420.43 2430.20 2450.94 2525.00 2530.53 2542.50 2605.57 2623.95 2875.87 2891.29 2925.85 4607.54 4610.35 4623.39 4683.55 4686.71 4696.97 4700.90 4705.70 4714.35 4716.32 4719.36 4769.79 4805.04 4823.40 4861.04 4879.06 4888.56 4903.26 4922.67 4924.34 4938.05 5551.64 5554.34 5586.84 0.473625 0.503991 0.504935 0.407213 -4351.680867 -4351.650501 -4351.649557 -4351.747279 3.277612D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NNC(=S)NC(=O)c2ccc(cc2)C(=O)OC C10455876 RHF 6-31G(d) (6D,10F) C1 521.062004 |X|Y|Z| 80.775825 101.727575 37.649526 67.633190 20 6 7 8 16 3 1 |36.858105| |12.361047|36.858105| |7.563931|12.363822|36.858105| |7.648791|12.401329|7.651930|36.858105| |7.587808|12.386956|7.570048|7.466068|36.858105| |6.195800|7.482073|6.220828|4.940242|13.655305|36.858105| |4.374489|4.972358|4.374042|3.826490|7.843772|13.802590|36.858105| |3.761553|4.365566|3.741026|3.688684|6.740488|7.927835|13.729377|36.858105| |4.024796|4.953389|3.994636|4.464018|7.877795|6.960580|8.024891|13.782926|36.858105| |5.298364|7.410654|5.259578|6.606660|13.728145|8.041079|6.918029|7.895384|13.746088|36.858105| |3.015101|3.531687|2.991541|3.540942|4.589294|4.109440|4.600158|6.669679|10.030334|6.718756|2539.412838| |2.986409|3.331952|2.975096|2.944725|4.557831|5.208402|7.913971|14.068555|8.072078|5.237236|213.728234|73.516695| |2.735959|2.903947|2.625062|2.552977|3.764538|4.453733|6.481623|7.963227|5.354059|4.023649|153.181815|24.120476|36.858105| |2.362906|2.470389|2.226188|2.253532|3.064222|3.396879|4.394226|5.371647|4.327481|3.358505|144.156694|14.033992|12.532835|36.858105| |2.140259|2.195203|2.002976|2.007223|2.641252|2.933966|3.651536|4.131104|3.437908|2.814782|114.449375|9.636360|8.071865|16.007187|73.516695| |2.325139|2.464933|2.192833|2.313952|3.047259|3.208821|3.984976|5.182512|4.625413|3.507079|176.965252|12.922629|7.813724|13.941259|14.983174|53.358707| |2.032835|2.130805|1.911828|2.041407|2.540278|2.622647|3.103220|3.800049|3.587255|2.889633|143.699696|8.523520|5.121215|8.033903|12.391104|18.937150|53.358707| |1.982542|2.042760|1.815576|1.981180|2.386966|2.424470|2.777096|3.299575|3.223986|2.698966|128.497185|6.864302|4.093593|5.736518|9.658989|10.798858|19.011237|36.858105| |1.699150|1.739742|1.570090|1.703603|1.980004|2.003890|2.243683|2.573701|2.532721|2.197934|99.611864|5.213187|3.101690|4.051433|7.350216|6.661193|9.962369|11.538991|388.023441| |2.227382|2.271928|1.973672|2.207806|2.667792|2.674167|3.027285|3.609563|3.614291|3.044676|141.858794|7.164169|4.185264|5.438192|8.743823|9.808354|11.429563|13.962880|49.859036|53.358707| |2.185521|2.183662|1.885595|2.151755|2.491636|2.457698|2.682361|3.076295|3.155192|2.798287|120.326964|5.783069|3.346608|4.004642|6.725198|6.473439|7.147618|7.622281|41.155400|18.599212|36.858105| |1.942360|1.931098|1.691512|1.914103|2.160580|2.135289|2.306024|2.590131|2.642544|2.388664|100.269533|4.871250|2.840073|3.378214|5.892932|5.289489|6.084513|6.460649|43.467058|11.336907|16.098972|73.516695| |2.528768|2.482606|2.087777|2.460774|2.814135|2.717773|2.885234|3.261056|3.443314|3.158415|125.696596|5.797597|3.271588|3.631023|5.956990|5.623136|5.593974|5.067002|28.386977|10.683224|12.639142|14.387971|36.858105| |2.421961|2.310400|1.956803|2.295667|2.532570|2.452756|2.540532|2.755611|2.875685|2.742762|100.895684|4.825910|2.762515|2.992046|5.077946|4.408618|4.412168|3.886555|23.796076|7.128125|7.718198|12.066027|13.696060|36.858105| |2.669665|2.478444|2.070755|2.483238|2.645392|2.520481|2.528487|2.674986|2.829194|2.810376|95.734228|4.531297|2.555894|2.654657|4.477348|3.829234|3.722248|3.114644|19.281755|5.412409|5.076149|8.113821|7.928124|13.801778|36.858105| |3.229429|2.974601|2.401529|3.019934|3.158178|2.911699|2.846373|3.008613|3.287808|3.378530|108.368614|4.912969|2.690672|2.702632|4.443940|3.909838|3.678902|2.971941|17.960467|5.138550|4.447173|6.810390|6.856837|7.935475|13.702939|36.858105| |3.492280|3.369010|2.654554|3.429235|3.756616|3.380311|3.350470|3.696619|4.220852|4.261485|141.046942|5.936497|3.145752|3.138206|4.986395|4.674131|4.278496|3.406781|19.694389|6.082781|4.995195|7.157113|7.921816|6.872031|7.928520|13.736350|36.858105| |2.987178|2.980604|2.427229|2.979671|3.455585|3.225679|3.383769|3.925320|4.385639|4.039079|159.455542|6.662562|3.564952|3.752110|5.872107|5.882464|5.446889|4.512196|24.608360|8.942476|7.456111|9.455395|13.703256|7.926090|6.870687|7.932392|13.756993|36.858105| |3.487304|3.074524|2.477836|3.175973|3.079570|2.798632|2.633131|2.688639|2.936155|3.162530|93.907235|4.315066|2.351682|2.305505|3.822027|3.269649|3.067448|2.417859|14.993016|3.979403|3.298651|5.269681|4.460393|5.079593|7.703731|12.756801|7.555705|5.031649|36.858105| |3.053181|2.669936|2.220420|2.739233|2.634942|2.445056|2.309990|2.330258|2.492871|2.659462|80.245126|3.797326|2.099601|2.072000|3.491691|2.908819|2.766045|2.187534|13.877855|3.529033|2.943421|4.856027|3.803325|4.540327|6.763574|8.039509|5.275512|3.994400|16.015858|73.516695| |4.289046|3.725826|2.893118|3.987555|3.586965|3.119370|2.830634|2.863626|3.213993|3.646380|99.948267|4.463206|2.374130|2.271216|3.715129|3.219568|2.970997|2.287414|14.091999|3.707191|2.949396|4.672008|3.833991|4.007196|5.264822|8.094244|6.921626|4.605004|14.385455|15.312391|73.516695| |4.236002|3.561135|2.854989|3.883908|3.219981|2.816447|2.509876|2.480979|2.742975|3.152319|84.917070|3.882484|2.073047|1.970390|3.256744|2.760943|2.563418|1.955275|12.281610|3.083065|2.423409|3.930273|2.993759|3.153266|3.965599|5.191915|4.568664|3.429685|8.160860|12.903282|23.873846|36.858105| |17.567293|8.693260|6.861957|5.510836|6.859669|6.771681|4.700492|3.807233|3.831495|4.727134|96.635314|5.408386|2.854217|2.425718|3.937130|3.175916|2.762009|1.967660|11.995409|2.988844|2.139789|3.388212|2.446229|2.350321|2.561954|3.018886|3.225129|2.832389|3.199700|5.078975|6.648906|3.660964|0.500000| |17.551396|8.741865|5.485455|6.919620|6.914134|5.623836|4.256127|3.814345|4.159796|5.392327|107.891721|5.421926|2.813609|2.470189|3.971843|3.340447|2.927895|2.126354|12.874430|3.313750|2.422620|3.797227|2.882393|2.777524|3.135139|3.940008|4.252257|3.468479|4.345951|6.534705|9.950736|5.291755|0.301778|0.500000| |17.541979|8.774647|6.910290|7.054468|5.503602|4.667843|3.527711|3.112569|3.329737|4.233373|89.615392|4.548369|2.367370|2.083050|3.393810|2.801628|2.489522|1.794845|11.103054|2.723250|1.983237|3.174616|2.280318|2.219179|2.463862|2.943974|3.089029|2.643828|3.280313|5.243153|7.202276|4.308427|0.302308|0.300913|0.500000| |6.905566|8.778622|17.547037|7.065646|5.497693|4.677519|3.527015|3.100978|3.313261|4.215018|89.102793|4.535803|2.293466|1.986460|3.215064|2.673111|2.366312|1.666870|10.371090|2.462179|1.748788|2.814319|1.938127|1.841654|1.965845|2.271423|2.458729|2.228285|2.393431|3.863760|4.992040|2.867217|0.169938|0.140841|0.207397|0.500000| |5.485134|8.741474|17.555321|6.917826|6.893093|5.659554|4.257578|3.779112|4.103893|5.323010|106.311943|5.386889|2.617025|2.221115|3.532043|3.003166|2.618168|1.810428|11.150137|2.652583|1.845161|2.946433|2.017544|1.872493|1.956886|2.250658|2.514814|2.343583|2.286061|3.644112|4.690138|2.576464|0.140060|0.122455|0.140855|0.301204|0.500000| |6.864633|8.689867|17.570284|5.511357|6.836464|6.794119|4.694043|3.781369|3.800951|4.693860|95.876585|5.381866|2.723515|2.273150|3.659454|2.987360|2.592410|1.799097|11.068155|2.647058|1.848561|2.952822|2.030797|1.908550|2.007657|2.296586|2.516338|2.330184|2.352229|3.782456|4.776259|2.639691|0.204141|0.140044|0.170285|0.302433|0.301808|0.500000| |6.952488|8.708632|5.508926|17.550905|6.722608|4.572507|3.701401|3.697907|4.604138|6.718777|128.714235|5.295265|2.592431|2.327985|3.678206|3.299738|2.925037|2.113568|12.857902|3.260372|2.365133|3.715313|2.768439|2.579865|2.833157|3.562481|4.118640|3.436817|3.777446|5.615332|8.852101|4.674454|0.140689|0.206991|0.174402|0.143015|0.140497|0.122254|0.500000| |5.507310|8.708465|6.933591|17.554763|6.732793|4.586563|3.707789|3.693127|4.588557|6.696397|128.023566|5.292187|2.528994|2.237420|3.523408|3.159604|2.790740|1.971366|12.081846|2.954848|2.092396|3.316683|2.350226|2.165773|2.299033|2.744965|3.153900|2.833471|2.813549|4.351090|6.070037|3.285902|0.122248|0.140676|0.142706|0.173970|0.206185|0.140427|0.300611|0.500000| |7.037170|8.837172|7.063540|17.562518|5.469696|4.071304|3.229532|3.073953|3.563257|4.809704|100.571489|4.504752|2.247932|2.007349|3.223811|2.789491|2.495796|1.791412|11.112647|2.699064|1.953429|3.128498|2.223568|2.114531|2.306912|2.770063|3.030538|2.629098|3.001149|4.713379|6.695395|3.907953|0.143042|0.171412|0.214882|0.216168|0.172106|0.143386|0.302487|0.302598|0.500000| |6.468949|6.953244|6.567761|4.498500|8.883320|17.742396|9.038900|5.670224|4.999919|5.682191|113.542895|7.507218|3.861252|3.012746|4.771621|3.811934|3.186477|2.183457|13.069345|3.248747|2.224236|3.485311|2.449263|2.262301|2.345480|2.675630|2.995108|2.830363|2.632887|4.168798|5.192666|2.714385|0.224438|0.152440|0.137935|0.139092|0.155445|0.229651|0.113245|0.113790|0.108668|0.500000| |3.780825|4.074969|3.795624|3.208936|5.612614|8.948447|17.730805|8.923150|5.683357|4.976780|129.888313|12.724097|6.955863|4.503517|6.866249|5.228384|4.108105|2.682012|15.594207|3.898589|2.533337|3.920119|2.670661|2.383841|2.354372|2.585903|2.957006|3.020631|2.400452|3.811796|4.501104|2.275301|0.116698|0.101630|0.087378|0.087597|0.102324|0.117154|0.086093|0.086364|0.077811|0.219092|0.500000| |4.911248|6.803920|4.872615|7.611042|8.879011|5.675099|4.982964|5.668585|9.040415|17.798355|225.128816|7.582333|3.389639|2.972995|4.498614|4.338842|3.696406|2.583023|15.179103|3.972669|2.737552|4.187859|3.115170|2.720596|2.815644|3.430282|4.345992|4.019577|3.253007|4.831474|6.827651|3.327788|0.116439|0.141624|0.114513|0.113939|0.139554|0.115661|0.232640|0.230616|0.148380|0.124064|0.108056|0.500000| |2.997071|3.084842|2.745028|2.655187|4.000734|4.905670|7.135340|7.608354|5.180478|4.100754|139.575339|16.405966|17.598825|9.044917|12.601127|8.480927|6.052553|3.829151|20.873921|5.595644|3.411483|5.121128|3.451141|2.958727|2.769537|2.925833|3.388566|3.762908|2.557037|4.050744|4.567435|2.231040|0.088447|0.086493|0.071189|0.066603|0.074307|0.079915|0.075232|0.071521|0.065045|0.119670|0.220912|0.094880|0.500000| |2.523421|2.679695|2.502281|2.347999|3.383392|4.068009|5.754461|6.290450|4.425072|3.502446|128.580638|16.526244|17.618808|8.983508|12.967864|8.105493|5.937251|3.513387|19.934161|4.722829|2.855219|4.433833|2.771813|2.404493|2.245412|2.346344|2.677544|2.965398|2.093720|3.368492|3.767243|1.884967|0.073902|0.070768|0.061399|0.060994|0.069763|0.073142|0.065219|0.064978|0.058129|0.101776|0.188261|0.083024|0.301071|0.500000| |2.437605|2.648871|2.347765|2.505251|3.333592|3.440562|4.287892|5.989629|5.560138|3.990694|233.856465|15.375395|7.393361|9.314215|10.869382|26.015042|12.842239|6.315966|30.095551|8.330492|4.315521|6.292017|3.932705|3.082307|2.736774|2.867327|3.506932|4.349658|2.418524|3.791475|4.312501|2.079864|0.067216|0.071115|0.059718|0.057971|0.066394|0.064663|0.072813|0.070762|0.060951|0.081676|0.110721|0.100702|0.160447|0.158137|0.500000| |1.865521|1.955520|1.782267|1.871752|2.304632|2.397447|2.825102|3.371536|3.146168|2.580058|123.448728|7.563790|4.630619|7.033040|12.100098|12.760330|26.016839|9.495142|50.783483|8.208209|4.273523|6.858914|3.421828|2.815855|2.412461|2.373466|2.700253|3.311515|2.018984|3.274705|3.485440|1.716052|0.051971|0.054314|0.046959|0.045200|0.050002|0.049551|0.054224|0.052419|0.047058|0.060197|0.077721|0.067505|0.110556|0.116350|0.199787|0.500000| |2.489781|2.556579|2.192165|2.453063|3.084642|3.106812|3.590081|4.424935|4.397012|3.574509|168.992271|8.819896|5.083989|6.499049|9.608140|12.111029|11.138592|9.555641|38.041953|26.076840|9.382272|10.869817|7.698016|5.061245|4.042054|4.030367|5.026736|7.609781|3.106726|4.805569|5.234813|2.420682|0.068246|0.075889|0.061223|0.055207|0.060020|0.060042|0.074044|0.066813|0.060411|0.075638|0.092871|0.093249|0.139638|0.111415|0.211790|0.160144|0.500000| |2.149619|2.052878|1.770825|2.033969|2.234442|2.191479|2.282818|2.456878|2.521730|2.394670|88.965887|4.379598|2.548441|2.807340|4.891282|4.094252|4.223372|3.792582|24.483990|6.615561|7.264962|13.489373|8.945009|17.759920|8.914816|5.640600|4.954996|5.652264|4.133308|6.972065|5.931051|2.746279|0.058476|0.067361|0.055244|0.046519|0.047232|0.048258|0.062585|0.053644|0.052535|0.056759|0.060423|0.065810|0.075273|0.062541|0.078378|0.076214|0.124204|0.500000| |2.483325|2.275367|1.929495|2.280894|2.378157|2.280942|2.268499|2.357328|2.466697|2.477074|82.804372|4.002609|2.274634|2.351527|4.028042|3.340305|3.273301|2.715500|17.344018|4.529050|4.136789|6.997279|5.637280|8.914123|17.757659|8.941387|5.653321|4.954030|7.206193|13.541401|8.585860|3.884178|0.066589|0.080215|0.064766|0.051430|0.050499|0.052153|0.071493|0.058550|0.059847|0.059929|0.059356|0.069002|0.068410|0.056408|0.066178|0.059949|0.092742|0.213814|0.500000| |4.104462|4.040201|3.051604|4.226854|4.494368|3.815148|3.645541|4.012973|4.848998|5.241014|155.214669|6.154947|3.145464|3.026507|4.743231|4.482755|4.014525|3.082408|17.913871|5.270084|4.068302|5.977082|5.644965|4.955712|5.643894|8.918264|17.770487|8.937867|6.954147|8.628550|13.951785|5.068479|0.101449|0.142292|0.099217|0.077960|0.080011|0.078724|0.148410|0.106246|0.100806|0.092227|0.086873|0.153958|0.093511|0.074719|0.096141|0.071053|0.122774|0.107631|0.124359|0.500000| |2.989134|3.103499|2.533408|3.103049|3.730789|3.456966|3.722518|4.589706|5.344989|4.613095|213.258649|7.874080|4.016145|4.230783|6.338865|7.036006|6.275382|4.976025|25.873549|9.721113|6.775391|8.632174|8.827855|5.621435|4.953337|5.667530|9.008380|17.739145|4.110786|5.946509|7.130923|3.104189|0.078592|0.094310|0.072882|0.063789|0.069004|0.067318|0.098436|0.083808|0.074738|0.082229|0.090609|0.127083|0.113784|0.090975|0.151776|0.103272|0.252263|0.123835|0.107588|0.218323|0.500000| |4.264907|3.416324|2.794215|3.539674|3.081091|2.777373|2.469904|2.392692|2.577949|2.928673|78.495880|3.758165|2.037085|1.928274|3.215970|2.661904|2.468831|1.879379|11.847957|2.946765|2.310495|3.767893|2.823244|3.018076|3.788022|4.724137|4.069710|3.153600|7.207430|12.852458|16.429273|17.638536|0.105910|0.146755|0.122295|0.078374|0.069165|0.073200|0.112976|0.083132|0.099918|0.075951|0.063043|0.083506|0.061512|0.051759|0.055210|0.046119|0.064202|0.074065|0.105959|0.120977|0.079178|0.500000| |3.445314|3.020700|2.502166|3.341914|2.767578|2.446602|2.219990|2.219794|2.450016|2.760772|78.276845|3.534025|1.892774|1.823473|3.032265|2.572037|2.421748|1.861223|11.854421|2.915966|2.318304|3.818418|2.833233|3.032058|3.807407|4.747547|4.087169|3.164820|7.241093|12.898181|16.433228|17.641030|0.084431|0.113604|0.098234|0.070253|0.063834|0.064424|0.109612|0.081195|0.094395|0.065518|0.056383|0.081700|0.056036|0.048043|0.053720|0.045224|0.062679|0.074422|0.106506|0.121498|0.079494|0.300278|0.500000| 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