Version2.4 2021-05-26T12:44:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CCCC[C@H]1NC(=O)[C@@]2(Cn3c4ccoc4cc3C(=O)N2Cc5ccccc5Br)C C35538479 RHF 6-31G(d) (6D,7F) C[C@H]1CCCC[C@H]1NC(=O)[C@@]2(Cn3c4ccoc4cc3C(=O)N2Cc5ccccc5Br)C C01[X(C25H28Br1N3O3)] 174 C1 551 C[C@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(C(=O)N1Cc1ccccc1Br)cc1c2cco1 C[C@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(C(=O)N1Cc1ccccc1Br)cc1c2cco1 C[C@H]1CCCC[C@H]1NC(=O)[C@]2(C)Cn3c(cc4occc34)C(=O)N2Cc5ccccc5Br InChIKey=ITWURIDAKTVCSF-WEVXLUSXSA-N InChI=1S/C25H28BrN3O3/c1-16-7-3-6-10-19(16)27-24(31)25(2)15-28-20-11-12-32-22(20)13-21(28)23(30)29(25)14-17-8-4-5-9-18(17)26/h4-5,8-9,11-13,16,19H,3,6-7,10,14-15H2,1-2H3,(H,27,31)/t16-,19+,25-/m0/s1 InChI=1/C25H28BrN3O3/c1-16-7-3-6-10-19(16)27-24(31)25(2)15-28-20-11-12-32-22(20)13-21(28)23(30)29(25)14-17-8-4-5-9-18(17)26/h4-5,8-9,11-13,16,19H,3,6-7,10,14-15H2,1-2H3,(H,27,31)/t16-,19+,25-/m0/s1/f/h27H C[C@H]1CCCC[C@H]1NC(=O)[C@@]2(Cn3c4ccoc4cc3C(=O)N2Cc5ccccc5Br)C C01[X(C25H28Br1N3O3)] 174 C01 551 C[C@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(C(=O)N1Cc1ccccc1Br)cc1c2cco1 C[C@H]1CCCC[C@H]1[NH][C](=O)[C@]1(C)C[N@@]2[C]([CH][C]3[C]2[CH]=CO3)C(=O)N1C[C]1[CH][CH][CH][CH][C]1Br C[C@H]1CCCC[C@H]1NC(=O)[C@]2(C)CN3[C]([CH][C]4OC=C[C]34)C(=O)N2C[C]5[CH][CH][CH][CH][C]5Br InChIKey=ITWURIDAKTVCSF-WEVXLUSXSA-N InChI=1S/C25H28BrN3O3/c1-16-7-3-6-10-19(16)27-24(31)25(2)15-28-20-11-12-32-22(20)13-21(28)23(30)29(25)14-17-8-4-5-9-18(17)26/h4-5,8-9,11-13,16,19H,3,6-7,10,14-15H2,1-2H3,(H,27,31)/t16-,19+,25-/m0/s1 InChI=1/C25H28BrN3O3/c1-16-7-3-6-10-19(16)27-24(31)25(2)15-28-20-11-12-32-22(20)13-21(28)23(30)29(25)14-17-8-4-5-9-18(17)26/h4-5,8-9,11-13,16,19H,3,6-7,10,14-15H2,1-2H3,(H,27,31)/t16-,19+,25-/m0/s1/f/h27H 4067.2932499439 -3920.834881 1-A 14860.7024 129 422 551 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0.6037 0.8088 0.8163 0.3857 0.7503 0.7062 0.8421 0.3914 0.2662 0.7650 0.4377 0.3664 0.1760 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 57 58 59 60 6 6 1 6 6 6 6 6 1 7 6 8 6 6 7 6 6 6 8 6 6 6 6 8 7 6 6 6 6 6 6 6 35 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 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 1.00783 1.00783 13113.0435 16347.9325 24461.7983 0.99958 0.01881 0.02218 -0.01901 0.99978 0.00892 -0.02201 -0.00934 0.99971 1 0.00661 0.00530 0.00354 0.13763 0.11040 0.07378 24.81 31.67 35.25 39.16 66.73 86.85 101.58 109.34 124.18 167.04 189.11 207.16 223.34 236.36 280.76 282.69 315.46 329.60 358.38 372.91 403.80 418.09 442.03 459.20 478.67 490.67 500.43 506.19 522.91 546.86 560.80 577.45 608.29 631.91 649.47 675.37 711.95 735.21 760.81 783.41 803.99 841.86 848.01 863.19 922.48 936.00 948.18 984.09 1009.68 1029.92 1081.87 1135.51 1156.17 1167.22 1181.60 1201.68 1216.12 1226.42 1232.48 1247.63 1277.77 1280.29 1296.91 1302.88 1340.67 1372.98 1392.16 1411.94 1424.22 1425.72 1433.99 1461.21 1491.13 1504.32 1531.57 1559.51 1561.32 1579.44 1583.68 1597.38 1616.04 1625.00 1629.09 1654.25 1668.72 1688.49 1707.03 1725.46 1735.29 1743.91 1752.12 1788.57 1795.58 1818.75 1828.81 1842.02 1860.57 1873.18 1879.55 1901.01 1926.60 1935.42 1947.81 1985.00 1995.82 2013.72 2015.14 2047.35 2091.32 2102.81 2114.08 2119.20 2158.10 2165.69 2172.06 2181.58 2190.43 2197.09 2223.08 2229.21 2231.84 2247.84 2258.51 2265.57 2272.14 2311.21 2329.66 2350.85 2355.63 2360.08 2361.94 2364.16 2365.70 2373.93 2377.23 2383.20 2384.01 2393.62 2450.13 2458.40 2472.36 2543.04 2544.05 2586.63 2759.57 2761.52 4565.88 4580.35 4586.43 4588.79 4601.26 4614.24 4647.55 4649.23 4649.88 4658.39 4664.20 4674.74 4697.28 4697.56 4716.06 4721.97 4776.35 4793.38 4796.13 4813.00 4830.55 4854.21 4877.02 4900.65 4962.69 4992.33 5007.59 5650.14 0.535167 0.561782 0.562726 0.475698 -3920.299714 -3920.273100 -3920.272155 -3920.359183 2.918933D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE C[C@H]1CCCC[C@H]1NC(=O)[C@@]2(Cn3c4ccoc4cc3C(=O)N2Cc5ccccc5Br)C C35538479 RHF 6-31G(d) (6D,10F) C1 497.131403 |X|Y|Z| 76.637564 86.245703 39.363832 63.839897 27 6 7 8 23 3 1 |36.858105| |12.445627|36.858105| |8.955231|17.494741|0.500000| |7.488159|12.395499|0.248829|36.858105| |4.874815|7.485910|0.192724|12.439302|36.858105| |4.319561|6.417778|0.161400|7.525964|12.445154|36.858105| |4.869491|7.525117|0.195219|6.455410|7.537701|12.448189|36.858105| |7.430275|12.371495|0.251796|7.477759|6.396575|7.477531|12.411613|36.858105| |6.831192|8.872848|0.222084|5.493906|4.850420|5.499351|8.901227|17.615386|0.500000| |6.393115|7.690883|0.157206|6.156367|5.173898|6.168366|7.700931|13.021374|0.258334|53.358707| |4.731986|5.145076|0.118086|4.298300|3.889760|4.719017|5.902185|7.762075|0.206517|19.329798|36.858105| |4.122940|4.518855|0.110998|3.695230|3.487545|4.272402|5.709421|6.826698|0.212387|11.564022|15.811360|73.516695| |3.813818|3.886396|0.091066|3.540289|3.219138|3.745084|4.153200|4.934438|0.129951|10.452629|12.280406|14.244454|36.858105| |3.377775|3.262800|0.079226|2.905278|2.633516|2.955587|3.327919|3.945265|0.111707|7.205846|7.626532|11.942300|12.429491|36.858105| |3.832062|3.444077|0.083257|2.985724|2.603273|2.804624|3.168420|3.954666|0.114300|6.965748|6.430347|10.011304|7.866991|13.218880|53.358707| |3.499908|3.073163|0.076755|2.634542|2.309854|2.445066|2.779097|3.414899|0.102310|5.492653|4.765752|8.176593|5.134447|7.506914|19.187156|36.858105| |2.935865|2.639529|0.068018|2.272125|2.039602|2.162520|2.468400|2.924517|0.089369|4.455229|3.827711|7.048125|3.959825|5.472514|9.746926|13.252267|36.858105| |2.850352|2.496124|0.065061|2.155798|1.918977|1.990240|2.245904|2.659677|0.080909|3.935120|3.205718|5.793818|3.250486|4.118535|7.327050|8.706826|14.162564|36.858105| |3.196470|2.686246|0.069211|2.322113|2.020499|2.057617|2.295695|2.774749|0.083102|4.129175|3.246340|5.632133|3.297980|4.017013|7.613692|8.537329|8.438976|14.087107|73.516695| |3.722215|3.090458|0.077266|2.658661|2.277009|2.335602|2.608879|3.240353|0.095779|5.059578|4.030990|6.712130|4.208714|5.270545|11.791375|13.969272|8.471059|8.868870|25.097309|36.858105| |4.359952|3.482707|0.084267|3.047782|2.529512|2.552285|2.788325|3.538925|0.100305|5.730278|4.327258|6.726678|4.616933|5.251735|11.455336|8.408483|5.418833|5.366189|13.115981|13.574377|36.858105| |4.451048|3.775350|0.088765|3.330325|2.786000|2.899598|3.174341|4.068327|0.112532|7.264049|5.794945|8.364085|6.835738|7.743764|18.849317|8.674123|5.243254|4.602186|9.583280|8.715947|13.865124|36.858105| |4.539339|4.035190|0.091861|3.798608|3.143414|3.266848|3.408711|4.298165|0.110624|8.237341|6.041937|8.033408|7.721307|6.607209|10.505326|5.310683|3.797962|3.402003|6.820325|5.253585|7.456817|13.020280|36.858105| |4.551346|3.940737|0.089880|3.913330|3.157656|3.134560|3.145242|3.887213|0.098243|6.877968|4.634849|6.475367|5.344951|4.666634|7.283443|4.213229|3.197903|2.997282|6.137303|4.480251|6.471285|8.183403|15.836842|73.516695| |3.999099|3.918443|0.089699|3.775139|3.297237|3.631100|3.751608|4.509907|0.113340|9.349309|7.553148|9.357893|12.930745|7.790117|9.338610|4.638281|3.508452|3.036811|5.752124|4.191327|5.103751|7.885896|13.759709|14.910683|53.358707| |3.511008|3.591567|0.083185|3.764958|3.405284|3.730666|3.557179|3.972264|0.096564|7.545306|5.467402|7.351416|7.400447|5.075614|6.138509|3.431852|2.770888|2.470996|4.661409|3.219899|3.839019|5.091773|7.881906|12.530456|17.784182|36.858105| |2.744330|2.811554|0.067727|2.938671|2.781532|3.064638|2.917770|3.101125|0.077979|5.437829|4.188534|6.133070|5.695207|4.443660|5.159655|3.006133|2.518510|2.243809|4.150252|2.786353|3.177148|4.008282|5.328867|8.720135|10.157442|12.495832|36.858105| |2.467700|2.607857|0.063891|2.786410|2.758326|3.091200|2.849866|2.880700|0.072091|4.828267|3.656783|5.562618|4.526361|3.591102|4.179721|2.527774|2.186202|1.961886|3.587165|2.347750|2.611922|3.166082|3.955695|6.662859|7.050260|7.642506|13.671556|36.858105| |2.094648|2.195269|0.054869|2.325592|2.326970|2.576195|2.400246|2.398939|0.061266|3.871281|2.965644|4.697740|3.577204|3.051806|3.586297|2.234877|1.978930|1.786955|3.238400|2.079896|2.267948|2.670649|3.174200|5.404105|5.304629|5.023908|7.833804|13.783163|36.858105| |1.953903|2.002979|0.050308|2.085906|2.051258|2.235247|2.132109|2.171700|0.056391|3.490515|2.715182|4.350060|3.335469|3.008632|3.562740|2.244597|1.999015|1.808293|3.269732|2.090355|2.262315|2.638459|3.065597|5.214537|4.954800|4.397128|6.774716|7.969156|13.770557|36.858105| |2.077878|2.085917|0.051997|2.142613|2.056387|2.220446|2.155240|2.256049|0.058937|3.691775|2.905876|4.596942|3.722109|3.453930|4.105692|2.555205|2.240181|2.018842|3.673239|2.377888|2.595570|3.063425|3.579947|6.029951|5.733984|4.935092|7.857044|6.939406|7.978466|13.784684|36.858105| |2.441033|2.431200|0.059509|2.489115|2.338847|2.527989|2.464436|2.643207|0.068374|4.492639|3.543313|5.392369|4.818866|4.287732|5.061460|3.015456|2.549837|2.278026|4.200942|2.799361|3.147301|3.880158|4.830370|7.951817|8.144250|7.334626|13.693788|8.035669|6.902714|7.936014|13.742565|36.858105| |2.528351|2.403383|0.058874|2.389084|2.172522|2.291190|2.300928|2.564608|0.067872|4.331381|3.437006|5.268388|4.654544|4.719779|6.076219|3.643043|2.993037|2.694828|5.074014|3.452315|3.953346|4.834716|5.688657|9.289348|8.050350|5.731206|6.577683|4.573677|4.088360|4.627947|6.795202|10.011209|2539.412838| |3.045646|3.242227|0.078689|3.084988|2.988805|3.609755|3.861423|4.084000|0.107045|7.592739|7.725622|11.600482|12.412578|7.704991|6.919232|3.837649|3.243600|2.700763|4.747375|3.211807|3.394665|4.474016|5.024168|7.087230|10.332847|6.512724|6.147481|5.388267|4.278423|3.863745|4.113474|5.055737|144.655565|36.858105| |17.545612|8.815685|0.218386|6.781717|4.523228|3.795244|4.067222|5.455209|0.142042|6.459713|3.732149|5.945121|3.160775|2.861656|4.396202|3.033623|2.609858|2.595243|5.207941|3.297984|3.826372|3.742852|3.821991|7.115212|4.574895|3.061241|2.459260|2.237522|1.926282|1.805201|1.911390|2.215135|78.290924|2.613097|0.500000| |17.548597|8.765512|0.211358|5.456958|4.043790|3.806692|4.543582|6.908274|0.207739|8.073602|4.792621|7.791392|3.796538|3.524986|5.611090|3.916594|3.313845|3.241516|6.463402|4.189240|4.680884|4.614429|4.322347|7.359300|5.170322|3.222336|2.579442|2.313084|1.986471|1.872977|2.001451|2.336724|83.779604|3.005441|0.301518|0.500000| |17.566914|8.712708|0.173470|6.805570|4.491609|4.089596|4.411052|6.510764|0.160976|9.290249|5.052564|7.392512|4.297929|3.753081|5.941728|3.842432|3.095067|2.986710|6.087636|4.159939|5.265742|5.490195|5.878417|10.860636|6.555312|4.135041|3.114572|2.723352|2.280244|2.134173|2.301877|2.760912|98.955478|3.304902|0.302687|0.301959|0.500000| |6.949782|8.846158|0.215789|17.534495|8.819434|5.489067|4.850861|5.476309|0.123810|6.372591|3.522663|5.520303|3.019016|2.568278|3.655314|2.424363|2.112910|2.040741|3.942846|2.499136|2.865583|3.023172|3.387408|6.406234|4.436627|3.268429|2.623522|2.490882|2.118436|1.922159|1.976865|2.271353|75.312997|2.651825|0.206244|0.141019|0.172815|0.500000| |6.823439|8.782798|0.174150|17.478782|8.834135|6.716008|5.611419|6.659140|0.137480|9.078979|4.588248|6.674837|3.954536|3.148137|4.385137|2.769139|2.341424|2.207641|4.259555|2.795739|3.298367|3.701228|4.494899|8.484969|6.096256|4.629785|3.442705|3.209809|2.612717|2.326288|2.404975|2.849298|92.184237|3.393262|0.166877|0.140046|0.202896|0.305100|0.500000| |4.518409|6.737681|0.204531|8.861378|17.498616|8.861050|6.785423|5.625427|0.127622|5.897415|3.413624|5.663736|2.822538|2.384453|3.234779|2.154995|1.935035|1.835977|3.420373|2.132909|2.329467|2.512107|2.746175|4.888739|3.860101|2.870751|2.409580|2.393308|2.064031|1.841927|1.845514|2.071756|66.355833|2.636662|0.121020|0.107532|0.110799|0.215899|0.173774|0.500000| |4.054948|5.469663|0.141332|8.818920|17.532923|8.805462|5.488847|4.807401|0.106685|5.838802|3.377585|5.371666|2.941729|2.420431|3.240306|2.114933|1.873344|1.769739|3.317304|2.094190|2.335653|2.563306|2.935609|5.355525|4.203658|3.322589|2.767642|2.800163|2.374538|2.075699|2.058365|2.320660|72.304917|2.791075|0.108107|0.094520|0.108255|0.211392|0.215658|0.303514|0.500000| |3.503983|4.821978|0.129757|5.486340|8.813853|17.535592|8.834145|5.470417|0.123797|6.385799|3.924835|6.605138|3.241036|2.628689|3.361487|2.184945|1.968058|1.815373|3.304563|2.080254|2.238803|2.514698|2.790902|4.773355|4.229272|3.234603|2.782673|2.888511|2.466794|2.132910|2.085256|2.324338|70.994740|3.261906|0.088226|0.088274|0.092259|0.123220|0.138375|0.215291|0.211116|0.500000| |4.111928|5.627533|0.133326|6.750872|8.845380|17.501331|8.840992|6.717417|0.138466|9.188462|5.189144|7.898736|4.289878|3.229355|4.076808|2.546909|2.220968|2.025666|3.730132|2.414278|2.672825|3.116699|3.652661|6.196551|5.781746|4.577331|3.672590|3.748581|3.016598|2.557219|2.527482|2.916920|87.287475|4.219697|0.099385|0.100414|0.114354|0.138732|0.196451|0.173812|0.214758|0.303971|0.500000| |4.536484|6.817803|0.209545|5.696917|6.808063|8.858184|17.503098|8.902383|0.220496|7.654214|4.635599|8.429200|3.429008|2.895897|3.827280|2.546729|2.314131|2.135536|3.864542|2.417688|2.542528|2.805980|2.931650|4.882178|4.257915|2.966516|2.501374|2.454671|2.116314|1.902238|1.919564|2.162421|69.663956|3.212626|0.109607|0.120763|0.109575|0.127836|0.130799|0.200469|0.139535|0.214886|0.173681|0.500000| |4.050469|5.497673|0.143219|4.836474|5.483851|8.781374|17.572775|8.863789|0.213823|9.726454|6.431650|12.014232|4.460516|3.552768|4.414769|2.827509|2.538075|2.267101|4.043573|2.582532|2.707683|3.130304|3.322847|5.315344|5.161092|3.563901|3.001215|2.962124|2.506763|2.220824|2.232361|2.536821|79.561249|4.371829|0.094909|0.109243|0.105736|0.106730|0.125521|0.139342|0.122933|0.211324|0.213555|0.303491|0.500000| |6.571537|7.335901|0.145449|6.747966|5.274318|5.801370|6.155134|8.948784|0.184219|26.143500|9.454898|10.892449|7.342297|5.009864|6.783142|3.878449|3.093753|2.780295|5.309384|3.700547|4.427106|5.697888|7.384937|11.378929|11.151153|6.855703|4.498881|3.881584|3.035839|2.724428|2.906628|3.622701|118.559185|5.296912|0.138045|0.156620|0.218904|0.142271|0.233538|0.118385|0.126179|0.122752|0.187101|0.131212|0.154360|0.500000| |3.162891|3.117652|0.077487|2.731637|2.528883|2.878527|3.334879|3.859089|0.113546|6.636405|7.226649|13.639765|8.868134|17.675480|12.550050|6.942904|5.803042|4.178673|6.843628|4.750229|4.415935|5.768807|4.925096|6.679974|7.678409|4.118330|3.725107|3.185593|2.775754|2.723999|3.034241|3.584815|129.139015|7.008951|0.074827|0.093598|0.094039|0.067170|0.080123|0.064561|0.064121|0.072119|0.085652|0.081771|0.101577|0.121708|0.500000| |2.907863|2.810239|0.069015|2.584900|2.371858|2.635695|2.870731|3.281426|0.091415|5.771665|5.542704|8.874558|8.882925|17.571454|12.459582|6.265386|4.900092|3.795563|6.564100|4.679678|4.683425|6.483930|5.914643|7.799672|9.524748|4.978815|4.771239|3.771887|3.280684|3.351331|3.993027|4.965886|194.370179|7.185491|0.070212|0.083007|0.089903|0.064389|0.078313|0.059782|0.061679|0.066166|0.080538|0.070185|0.084857|0.116110|0.299037|0.500000| |2.648966|2.455724|0.063923|2.129316|1.949195|2.094058|2.398691|2.767795|0.084872|4.175188|3.658067|7.010117|3.776040|5.212726|8.020485|8.364943|17.813375|8.825849|10.321359|5.781361|4.237348|4.319483|3.346594|5.035487|4.406587|2.608510|2.419958|2.132828|1.950223|1.971950|2.189269|2.452371|95.302059|3.240814|0.065653|0.082213|0.076486|0.054815|0.060628|0.051573|0.049812|0.053503|0.059670|0.062727|0.069686|0.079509|0.166864|0.132396|0.500000| |2.537001|2.245165|0.059417|1.954913|1.757860|1.814832|2.037670|2.368160|0.072000|3.427356|2.752803|5.032112|2.763851|3.383838|5.639574|5.867479|8.664216|17.830907|16.503800|6.074619|4.216910|3.666957|2.861501|4.588913|3.532492|2.170337|1.996474|1.770580|1.629859|1.652272|1.828756|2.031323|80.613348|2.368198|0.065309|0.079714|0.072713|0.051846|0.055167|0.047126|0.045216|0.046404|0.050979|0.054470|0.057119|0.067289|0.096688|0.088319|0.197456|0.500000| |4.419579|3.419642|0.083062|3.063588|2.503997|2.459067|2.629506|3.303353|0.091922|5.180883|3.716727|5.784647|3.887475|4.147414|7.881586|5.757147|4.255997|4.433231|10.849112|8.472577|17.826410|8.743059|6.520242|11.822728|6.088238|3.596918|2.982802|2.478712|2.162191|2.154365|2.456596|2.950654|125.049729|2.980912|0.112359|0.127647|0.151186|0.082029|0.092444|0.064210|0.064832|0.059992|0.071199|0.067199|0.069781|0.114250|0.099189|0.106038|0.096339|0.102477|0.500000| |3.638169|3.951405|0.090817|4.297419|4.023597|4.583248|4.165644|4.467901|0.104397|8.492811|5.763757|7.714424|6.796891|4.506730|5.415763|3.114680|2.573638|2.302578|4.304363|2.917708|3.399528|4.345473|6.122510|10.038289|12.390034|17.573124|8.989546|7.605378|4.901482|4.030164|4.195685|5.555133|147.855155|6.505751|0.087675|0.091171|0.115746|0.100253|0.149210|0.091428|0.109467|0.108571|0.167633|0.093699|0.115619|0.215584|0.107112|0.118349|0.068038|0.056683|0.089146|0.500000| |3.603308|3.569727|0.082464|3.857898|3.374789|3.498387|3.275998|3.708994|0.090071|6.686223|4.556191|6.314374|5.594191|4.280299|5.608547|3.244482|2.621570|2.396717|4.619907|3.177507|3.920724|4.971529|8.013122|15.759682|12.737354|17.671402|8.946392|6.173911|4.420202|3.990628|4.511638|6.433549|190.894010|4.791865|0.089086|0.089931|0.121123|0.095518|0.135729|0.079050|0.093076|0.084159|0.116263|0.077385|0.088442|0.174871|0.097969|0.116994|0.067667|0.058726|0.106359|0.304770|0.500000| |2.585717|2.814015|0.068808|3.077799|3.133375|3.587743|3.185381|3.125793|0.076677|5.184553|3.800870|5.765236|4.421360|3.397809|3.993583|2.428925|2.108961|1.899137|3.473839|2.264663|2.518871|3.032181|3.779754|6.419848|6.695096|7.212474|8.943332|17.707026|8.972063|5.669888|4.985620|5.690415|129.025674|5.256903|0.065011|0.066572|0.078425|0.075388|0.098845|0.074358|0.089382|0.093554|0.125252|0.075263|0.091837|0.115757|0.085273|0.095414|0.057195|0.047734|0.066705|0.241191|0.163708|0.500000| |1.953707|2.071370|0.052327|2.210391|2.258749|2.506947|2.307767|2.256240|0.057659|3.551404|2.692469|4.342087|3.117023|2.680352|3.180836|2.014218|1.807579|1.641336|2.962764|1.881248|2.033436|2.356938|2.749570|4.719104|4.494664|4.119715|5.607294|8.934496|17.723467|8.903785|5.658244|4.968018|113.044692|3.730503|0.050242|0.051452|0.058317|0.056158|0.068120|0.056016|0.064635|0.067989|0.080965|0.056991|0.067098|0.076464|0.069181|0.078696|0.049748|0.041887|0.054118|0.117114|0.102966|0.216968|0.500000| |1.760035|1.802538|0.045744|1.872863|1.854211|2.009317|1.921575|1.942920|0.050849|3.060719|2.375726|3.877611|2.841113|2.629111|3.152356|2.027505|1.835627|1.671593|3.006717|1.895611|2.026665|2.318193|2.625987|4.498275|4.124833|3.523283|4.901484|5.651918|8.891916|17.725834|8.938483|5.648594|131.435988|3.262595|0.045513|0.047086|0.052916|0.048335|0.057323|0.046729|0.052242|0.053832|0.062945|0.048167|0.055616|0.065679|0.067361|0.081010|0.050604|0.042788|0.053846|0.091605|0.090824|0.124398|0.213510|0.500000| |1.929841|1.914385|0.048088|1.948593|1.862135|1.991413|1.952920|2.054340|0.054303|3.312452|2.613688|4.201958|3.291883|3.207706|3.894108|2.480627|2.203323|1.999261|3.627234|2.321165|2.502165|2.887714|3.255750|5.517445|4.978890|4.034299|5.625645|4.989532|5.661122|8.916569|17.755214|8.953209|227.171990|3.538618|0.049643|0.052063|0.059171|0.050417|0.060143|0.046891|0.051642|0.052119|0.061969|0.048842|0.056060|0.071835|0.079051|0.104451|0.059914|0.050579|0.065960|0.096238|0.105717|0.108130|0.124161|0.215068|0.500000| |3.047357|3.366107|0.081462|3.322498|3.322201|4.157569|4.236558|4.242707|0.106662|7.763215|6.960302|10.295617|8.718038|5.537069|5.655237|3.258180|2.791754|2.392693|4.257743|2.838445|3.052665|3.900106|4.578346|6.810378|9.234539|6.933782|6.489753|6.324312|4.744651|3.988452|4.025552|4.857598|130.444082|17.607277|0.073041|0.081564|0.091146|0.078263|0.102421|0.079952|0.087037|0.104788|0.141930|0.095686|0.134235|0.153546|0.142654|0.144267|0.077029|0.059019|0.076532|0.221465|0.139200|0.187296|0.117012|0.092925|0.094052|0.500000| |2.691799|2.797676|0.068670|2.708895|2.618236|3.059024|3.183126|3.355613|0.088722|5.952021|5.550906|8.682381|8.765119|7.025140|6.435454|3.645323|3.117074|2.609593|4.579535|3.072868|3.237622|4.200020|4.711063|6.790655|9.302974|6.280643|7.037504|5.982530|4.931791|4.643527|5.095240|6.247909|168.031060|17.626028|0.065427|0.073776|0.081708|0.066115|0.083091|0.064718|0.069248|0.078129|0.098272|0.075638|0.097586|0.120496|0.171940|0.217343|0.086871|0.063887|0.079493|0.160651|0.130401|0.148120|0.114912|0.106660|0.119724|0.301257|0.500000| |2.876194|3.086527|0.076666|2.867440|2.825391|3.452906|3.849149|3.967748|0.108156|6.901734|7.290108|13.105057|8.928922|7.141956|6.461402|3.767200|3.319089|2.723000|4.663149|3.087175|3.137090|3.980401|4.158487|5.998432|7.591292|4.786998|4.586218|4.257405|3.613959|3.324054|3.470199|4.018994|120.981116|17.621545|0.068783|0.080531|0.084371|0.068846|0.084933|0.070684|0.072558|0.088442|0.107983|0.090581|0.126112|0.126453|0.214950|0.178932|0.095034|0.066805|0.076240|0.135937|0.105475|0.117763|0.090861|0.080734|0.085694|0.303044|0.300441|0.500000| 3918.999860 -17441.688145 5806.780336 -274.430500 -7990.338449 4067.293543 -3923.044907 2.001032 40BA70000000000A 44C0A6612EF82A0B 4440855681F44188 4273A1BDE9580004 3D2CDFFFFFFFFFFF 4448E2909DD933A3