Version2.4 2021-06-06T21:11:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)Cl)[O-])C(=O)c5cccc(c5)OCC C33789732 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)Cl)[O-])C(=O)c5cccc(c5)OCC C01[X(C28H22Cl1N2O4S1)] 168 C1 592 CCOc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)CC)c1nc2c(s1)cc(cc2)Cl CCOc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)CC)c1nc2c(s1)cc(cc2)Cl CCOc1cccc(c1)C(=O)C2=C([O-])C(=O)N([C@H]2c3ccc(CC)cc3)c4sc5cc(Cl)ccc5n4 InChIKey=NTEVAUHMXWUICP-DEOSSOPVSA-M InChI=1S/C28H23ClN2O4S/c1-3-16-8-10-17(11-9-16)24-23(25(32)18-6-5-7-20(14-18)35-4-2)26(33)27(34)31(24)28-30-21-13-12-19(29)15-22(21)36-28/h5-15,24,33H,3-4H2,1-2H3/p-1/t24-/m0/s1 InChI=1/C28H23ClN2O4S/c1-3-16-8-10-17(11-9-16)24-23(25(32)18-6-5-7-20(14-18)35-4-2)26(33)27(34)31(24)28-30-21-13-12-19(29)15-22(21)36-28/h5-15,24,33H,3-4H2,1-2H3/p-1/t24-/m0/s1/fC28H22ClN2O4S/h33h/q-1 CCc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)Cl)[O-])C(=O)c5cccc(c5)OCC C01[X(C28H22Cl1N2O4S1)] 168 C01 592 CCOc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)CC)c1nc2c(s1)cc(cc2)Cl CCO[C]1[CH][CH][CH][C]([CH]1)[C]([C]1[C](=O)C(=O)N([C@H]1[C]1[CH][CH][C]([CH][CH]1)CC)C1=N[C]2[C]([CH][C]([CH][CH]2)Cl)S1)=O CCO[C]1[CH][CH][CH][C]([CH]1)C(=O)[C]2[C@H]([C]3[CH][CH][C]([CH][CH]3)CC)N(C(=O)C2=O)C4=N[C]5[CH][CH][C](Cl)[CH][C]5S4 InChIKey=BPHNURWMDAKKLD-DEOSSOPVSA-N InChI=1S/C28H22ClN2O4S/c1-3-16-8-10-17(11-9-16)24-23(25(32)18-6-5-7-20(14-18)35-4-2)26(33)27(34)31(24)28-30-21-13-12-19(29)15-22(21)36-28/h5-15,24H,3-4H2,1-2H3/t24-/m0/s1 InChI=1/C28H22ClN2O4S/c1-3-16-8-10-17(11-9-16)24-23(25(32)18-6-5-7-20(14-18)35-4-2)26(33)27(34)31(24)28-30-21-13-12-19(29)15-22(21)36-28/h5-15,24H,3-4H2,1-2H3/t24-/m0/s1 4043.4107897448 -2338.5141345 1-A 22678.9435 135 457 592 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.76306 -91.89721 -20.50723 -20.42539 -20.38522 -20.36822 -15.50457 -15.47583 -11.27046 -11.23353 -11.22922 -11.21721 -11.21007 -11.20168 -11.19966 -11.18811 -11.18626 -11.18137 -11.17914 -11.17161 -11.16913 -11.15832 -11.15434 -11.15050 -11.14961 -11.14743 -11.14324 -11.14030 -11.13950 -11.13882 -11.13817 -11.13759 -11.13559 -11.13245 -11.12788 -11.06332 -10.49637 -8.90805 -7.96576 -7.96256 -7.96248 -6.59051 -6.58971 -6.58770 -1.33725 -1.29512 -1.23276 -1.22911 -1.20896 -1.16280 -1.11676 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84.5922 99.9569 110.1516 118.7332 125.3800 166.6281 185.4459 200.3821 212.4143 214.5920 223.3378 230.7675 242.4852 256.6296 269.5266 275.9565 287.4511 310.9472 338.4854 358.3022 370.6744 384.9203 391.2425 403.2172 422.1041 425.2494 449.7128 459.9922 471.4626 476.9844 486.7436 512.8315 545.0305 560.7506 572.5596 588.5053 632.2762 632.4580 657.5917 663.5802 688.7183 695.7126 700.1821 718.7397 729.9511 775.2997 786.1912 797.6380 808.4968 812.9564 827.0683 839.2567 850.5369 859.6913 867.0409 881.2926 888.6157 904.9856 912.8782 916.9457 934.9298 938.4900 947.1533 957.6060 978.2506 994.0102 1001.9858 1015.9566 1033.6394 1039.4508 1079.0124 1083.7783 1084.2216 1095.9938 1097.3386 1116.1612 1138.0512 1151.1089 1166.8925 1178.4434 1184.3024 1197.4094 1201.1806 1203.9497 1221.4259 1232.9665 1239.3208 1265.6213 1268.5185 1293.2667 1299.7582 1301.8364 1304.2360 1307.2707 1310.3590 1322.8242 1329.3825 1356.9951 1367.6824 1383.9297 1398.7263 1424.3857 1429.7846 1436.0624 1443.9458 1447.6170 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8 6 6 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 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 34.96885 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 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 12764.3857 33405.3669 37233.1587 0.99973 0.02087 -0.01015 -0.02028 0.99825 0.05550 0.01129 -0.05528 0.99841 1 0.00679 0.00259 0.00233 0.14139 0.05403 0.04847 17.69 23.25 27.54 33.50 50.61 52.33 62.87 77.42 82.61 91.19 116.25 121.71 143.82 158.48 170.83 180.39 239.74 266.82 288.31 305.62 308.75 321.33 332.02 348.88 369.23 387.79 397.04 413.58 447.38 487.01 515.52 533.32 553.81 562.91 580.14 607.31 611.84 647.04 661.83 678.33 686.27 700.32 737.85 784.18 806.80 823.79 846.73 909.70 909.97 946.13 954.74 990.91 1000.98 1007.41 1034.11 1050.24 1115.48 1131.15 1147.62 1163.25 1169.66 1189.97 1207.50 1223.73 1236.90 1247.48 1267.98 1278.52 1302.07 1313.43 1319.28 1345.16 1350.28 1362.74 1377.78 1407.48 1430.16 1441.63 1461.73 1487.18 1495.54 1552.46 1559.32 1559.95 1576.89 1578.83 1605.91 1637.40 1656.19 1678.90 1695.52 1703.95 1722.81 1728.23 1732.22 1757.36 1773.96 1783.11 1820.95 1825.12 1860.72 1870.06 1873.05 1876.50 1880.87 1885.31 1903.25 1912.68 1952.41 1967.79 1991.17 2012.46 2049.37 2057.14 2066.17 2077.52 2082.80 2149.71 2154.44 2178.95 2220.02 2235.88 2241.65 2248.47 2275.05 2284.51 2316.96 2337.96 2344.14 2352.98 2360.05 2368.04 2377.67 2379.35 2423.37 2433.36 2501.47 2519.45 2552.22 2554.39 2593.31 2607.75 2620.68 2623.24 2800.86 2927.07 4588.29 4593.53 4605.17 4607.91 4618.87 4638.76 4646.51 4682.68 4708.57 4709.70 4736.88 4801.61 4806.38 4815.66 4848.69 4864.34 4870.45 4876.30 4884.42 4891.17 4900.75 4901.09 0.473104 0.503413 0.504357 0.405885 -2338.041030 -2338.010722 -2338.009778 -2338.108250 3.302767D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE CCc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)Cl)[O-])C(=O)c5cccc(c5)OCC C33789732 RHF 6-31G(d) (6D,10F) C1 517.098882 |X|Y|Z| 124.071239 68.192535 51.331087 75.729102 27 6 7 16 24 2 1 |36.858105| |12.422344|36.858105| |7.499336|12.582829|36.858105| |5.595936|7.539457|13.765596|36.858105| |4.131205|5.002391|7.892018|13.707676|36.858105| |3.729073|4.398869|6.762615|7.888172|13.769265|36.858105| |4.176740|5.007322|7.882807|6.913319|8.004546|13.673756|36.858105| |5.703028|7.528657|13.660343|8.005941|6.925473|7.898955|13.811257|36.858105| |2.890224|3.250638|4.382665|4.982829|7.502942|12.453104|7.492416|4.992453|36.858105| |2.728033|3.036418|3.979966|4.804605|7.391669|8.967967|5.600030|4.200608|17.541651|0.500000| |2.518974|2.866647|3.684925|3.951757|5.219577|7.409712|6.052678|4.285406|12.546879|0.242299|36.858105| |2.298945|2.540751|3.148267|3.231100|3.989182|5.414510|5.084838|3.742789|7.883836|0.166746|13.533844|36.858105| |2.387531|2.554183|3.165314|3.248482|4.015834|5.464355|5.122974|3.765241|7.952587|0.170124|8.072030|12.371199|36.858105| |2.192817|2.292758|2.751027|2.778051|3.289844|4.192533|4.115448|3.230378|5.391850|0.126866|5.431947|7.773164|16.073439|73.516695| |2.726284|2.920065|3.764214|4.026454|5.336297|7.712046|6.282111|4.402026|12.915542|0.253654|8.155378|8.083617|13.632088|14.724164|53.358707| |2.793843|2.869241|3.610001|3.886149|4.925723|6.177612|5.237241|4.045587|7.620006|0.192691|5.204730|5.172923|7.814057|11.868716|18.963914|36.858105| |2.717124|2.698553|3.267993|3.358553|3.941016|4.732702|4.499526|3.694725|5.230983|0.132081|4.084343|4.318069|6.421824|11.614264|11.046465|15.001615|53.358707| |2.632961|2.536239|2.972640|3.097393|3.512827|3.880655|3.646257|3.195280|4.096376|0.110685|3.263065|3.337672|4.459515|8.126326|7.379315|8.696010|18.816880|36.858105| |2.439770|2.295656|2.592444|2.633022|2.863032|3.100478|3.035708|2.771046|3.188479|0.085852|2.682603|2.786743|3.565345|6.759354|5.433975|5.418830|10.570814|13.691057|36.858105| |2.292377|2.127880|2.347626|2.408823|2.570602|2.679999|2.596038|2.433897|2.721336|0.075174|2.315067|2.360650|2.888810|5.372485|4.389802|4.164779|7.033491|7.960831|13.817040|36.858105| |2.301145|2.143240|2.366694|2.495850|2.674211|2.702463|2.539752|2.389395|2.741288|0.077990|2.298254|2.286539|2.744865|4.957188|4.284167|4.064776|6.275120|6.907460|7.943038|13.686111|36.858105| |2.454602|2.328161|2.634906|2.868616|3.163677|3.154179|2.850387|2.633613|3.234856|0.094571|2.618714|2.548941|3.074862|5.391499|5.023072|4.959365|7.112363|7.836863|6.782784|7.865672|13.826027|36.858105| |2.638526|2.553386|2.997396|3.271631|3.765854|3.919454|3.472886|3.080728|4.130785|0.119299|3.196962|3.120160|3.951478|6.831573|6.839600|7.751118|11.028314|13.661971|7.923833|6.919765|8.066050|13.744516|36.858105| |2.741035|2.785644|3.432695|3.973310|5.062980|5.293114|4.186222|3.513320|6.029915|0.191034|4.191949|3.845953|4.813764|7.592605|9.523726|10.683419|9.999945|7.444742|4.893936|4.255256|4.707563|6.727366|10.929666|388.023441| |2.044455|1.891760|2.031756|2.138724|2.238847|2.214529|2.095250|2.015135|2.225323|0.063772|1.916969|1.897351|2.197864|3.958593|3.346220|2.981168|4.406928|4.224309|4.760282|7.016977|10.874314|7.045066|4.785707|24.471497|448.794386| |2.061546|2.264275|2.714089|2.733592|3.225673|4.107061|4.062124|3.193090|5.273896|0.122181|7.896069|15.775638|8.019891|11.859542|7.448535|4.014754|4.872593|2.866898|2.482664|2.128269|2.046041|2.235172|2.662996|22.258180|13.863415|73.516695| |2.390693|2.787796|3.495393|3.768667|4.741003|5.851590|4.997641|3.896387|7.296364|0.177746|13.283451|7.580859|5.073128|6.967661|6.955633|3.807911|4.281597|2.650526|2.247497|1.991502|1.996580|2.253541|2.649287|23.951484|13.724415|10.998874|36.858105| |2.184644|2.537023|3.063338|3.181255|3.746677|4.448811|4.167568|3.427900|5.116959|0.126917|8.087719|6.451277|4.313413|6.267660|5.543271|3.169249|3.717794|2.328476|2.021887|1.801986|1.792255|1.987887|2.297836|19.906189|12.472683|11.099333|15.740292|73.516695| |2.440419|2.886549|3.601419|4.141475|5.263864|5.595499|4.464568|3.718136|6.251237|0.178515|7.495952|4.941494|3.929491|5.638718|5.842272|3.458723|3.878187|2.495208|2.119695|1.917762|1.963076|2.241275|2.585085|23.750980|13.670603|7.438176|12.498906|14.576914|36.858105| |2.283502|2.624277|3.213474|3.831016|4.946645|4.912040|3.788189|3.213513|5.813436|0.194521|6.061682|4.322929|3.699710|5.409280|5.660597|3.493432|3.865910|2.545449|2.147199|1.965700|2.048199|2.375976|2.719553|25.713046|14.317662|6.520565|7.470350|9.846430|13.653749|36.858105| |2.213221|2.536571|3.008907|3.647975|4.422689|4.028701|3.219317|2.881550|4.330810|0.142715|4.260833|3.301315|2.959529|4.487207|4.529683|2.963614|3.370649|2.290541|1.963298|1.833140|1.934740|2.238764|2.488369|22.847964|13.796610|5.155335|5.000166|7.372282|7.935088|13.812328|36.858105| |2.277484|2.665986|3.091548|3.716682|4.198967|3.709860|3.095061|2.885547|3.689116|0.113958|3.670386|2.906638|2.601258|3.993122|3.933422|2.601578|3.030000|2.070341|1.802418|1.691803|1.777002|2.026775|2.224438|19.697281|12.813234|4.629549|4.415929|6.871630|6.824608|7.899140|13.700002|36.858105| |2.430844|2.938930|3.428549|3.994805|4.386780|3.978598|3.430438|3.231225|3.795567|0.110563|3.930561|3.075556|2.678219|4.083682|3.993982|2.587644|3.036061|2.043161|1.786047|1.660967|1.720679|1.941519|2.149388|18.779382|12.344115|4.927729|5.020741|8.021370|7.907134|6.866792|7.964036|13.744083|36.858105| |2.519797|3.071129|3.732209|4.225573|4.882633|4.816181|4.142979|3.716945|4.679601|0.130004|5.224839|3.858895|3.192308|4.745058|4.705834|2.916221|3.380749|2.215871|1.919482|1.755933|1.796954|2.026372|2.290404|20.250177|12.698348|6.094434|7.608798|11.697742|13.790213|7.952503|6.911321|7.920435|13.704589|36.858105| |2.411616|2.946483|3.275747|3.661383|3.725020|3.374535|3.075347|3.036288|3.116217|0.088405|3.214877|2.632385|2.325238|3.613253|3.420505|2.257471|2.710756|1.840827|1.634597|1.529975|1.578795|1.757967|1.921353|16.269310|11.451351|4.311355|3.947103|6.687650|5.279626|4.614644|5.198004|7.860829|14.040626|8.187807|73.516695| |2.239738|2.669897|2.858461|3.199427|3.177271|2.829893|2.591422|2.601108|2.632495|0.075841|2.653224|2.234496|2.023457|3.195156|2.978099|2.013943|2.445567|1.689606|1.514547|1.435175|1.491321|1.654284|1.778189|14.822113|10.967357|3.688266|3.111864|5.290174|3.974828|3.787074|4.509213|6.716313|7.981459|5.254555|24.229526|36.858105| |2.167404|2.578933|2.653125|2.843040|2.730994|2.478923|2.354905|2.422910|2.282313|0.064417|2.314104|1.999422|1.820384|2.908839|2.645534|1.801303|2.223690|1.540623|1.398017|1.328037|1.370734|1.501675|1.604223|13.074226|10.148234|3.347506|2.668948|4.660441|3.196317|2.977307|3.340733|4.405621|5.225511|4.089306|14.400273|12.563678|36.858105| |17.522281|8.758682|5.471580|4.391043|3.393259|3.094778|3.420084|4.443242|2.489334|0.065834|2.219731|2.045772|2.107836|3.479286|3.213555|2.412519|3.220773|2.314798|2.183921|2.080304|2.087765|2.196719|2.319689|16.933585|15.207032|3.308665|2.136029|3.520783|2.186080|2.053536|2.012128|2.089332|2.227357|2.279626|3.996764|2.121274|2.091170|0.500000| |17.551363|8.772775|6.797647|5.869600|4.336979|3.761263|3.985532|5.073884|2.938954|0.078645|2.501839|2.271070|2.390639|3.904053|3.785022|2.921062|3.849178|2.806615|2.586397|2.464174|2.520870|2.716519|2.882796|21.155164|18.005042|3.593611|2.355479|3.782986|2.436186|2.329382|2.277621|2.322705|2.426633|2.484000|4.225690|2.230766|2.127567|0.300783|0.500000| |17.553677|8.768409|6.799188|4.974921|3.938419|3.765178|4.414000|6.052479|2.942256|0.075750|2.566354|2.388306|2.519810|4.151923|3.889234|2.951194|4.001072|2.827650|2.647042|2.452121|2.409558|2.535762|2.754801|19.907548|16.957072|3.812245|2.389382|3.894052|2.377727|2.215310|2.111906|2.141457|2.285161|2.413646|3.987970|2.065652|1.995180|0.300919|0.302076|0.500000| |8.857717|17.534010|8.911619|7.170969|4.728512|3.958468|4.208965|5.648286|3.015814|0.080331|2.684092|2.355422|2.340783|3.738059|3.632001|2.619761|3.322330|2.322995|2.105680|1.979425|2.021370|2.205726|2.383889|18.655104|14.540222|3.752145|2.673268|4.336823|2.857595|2.628243|2.609182|2.808347|3.089803|3.113934|5.636556|2.932227|2.852820|0.212822|0.210970|0.173057|0.500000| |8.858485|17.530904|8.909559|5.699930|4.225386|3.960911|4.716707|7.088156|3.018050|0.077242|2.762739|2.485226|2.459802|3.950871|3.721460|2.640030|3.416268|2.333759|2.136926|1.972461|1.962257|2.105418|2.309439|17.780215|13.970421|4.000176|2.722135|4.504546|2.764514|2.467963|2.369011|2.505392|2.813939|2.979131|5.109858|2.586659|2.557470|0.213004|0.173104|0.210732|0.304035|0.500000| |5.438735|6.980296|8.924892|17.681934|8.925324|5.633264|4.970321|5.665584|4.076811|0.114533|3.344350|2.782695|2.794534|4.333202|4.612791|3.349848|4.007002|2.805879|2.426956|2.274355|2.395807|2.749056|3.030309|25.625617|16.862834|4.268902|3.275691|5.012368|3.717861|3.573516|3.591474|3.762450|3.928930|3.892023|6.566302|3.361442|2.981680|0.123471|0.167426|0.126810|0.215713|0.144559|0.500000| |3.520901|4.089065|5.637101|8.931353|17.710335|8.938054|5.670089|4.978815|6.969698|0.227945|4.919333|3.747894|3.766807|5.539665|6.772349|4.702178|5.044475|3.402852|2.764798|2.527191|2.691671|3.253033|3.813891|38.385236|18.260431|5.432952|4.585677|6.397707|5.486471|5.742504|5.326163|4.822038|4.669230|4.926942|6.781535|3.319281|2.768008|0.082964|0.105003|0.092443|0.112495|0.097474|0.216700|0.500000| |3.568341|4.090696|5.627693|4.973787|5.676311|8.913219|17.725563|8.955476|6.974404|0.140668|6.408346|5.993254|6.017411|8.549157|9.012462|5.223860|6.349081|3.629193|3.061054|2.570666|2.460358|2.712759|3.317405|27.575626|16.256520|8.531043|5.036650|7.751490|4.144887|3.500109|2.934520|2.794748|3.090321|3.774367|4.954456|2.358822|2.166451|0.083808|0.093846|0.107360|0.096996|0.111971|0.107834|0.124450|0.500000| |5.632680|6.987295|8.895489|5.671131|4.976551|5.634530|8.964095|17.682493|4.081705|0.096494|3.715920|3.416589|3.432402|5.406251|5.174657|3.533386|4.589466|2.937576|2.627851|2.311858|2.233318|2.404365|2.769383|21.561471|15.275322|5.368025|3.425320|5.581875|3.200873|2.775108|2.509899|2.530730|2.838313|3.237225|4.857115|2.368867|2.259383|0.126479|0.131018|0.177914|0.143003|0.211123|0.124249|0.107917|0.217048|0.500000| |2.356996|2.220080|2.486647|2.469026|2.658034|2.930346|2.961368|2.711660|3.008190|0.079265|2.605414|2.771900|3.548545|6.962121|5.151780|4.835133|9.570437|8.926756|17.742348|8.897055|5.636204|4.906979|5.644052|28.899133|31.492930|4.462725|2.186022|3.540002|2.031025|2.028557|1.846669|1.706788|1.708166|1.847747|2.795567|1.453006|1.350351|0.058977|0.068155|0.071942|0.056202|0.058232|0.062870|0.070373|0.085059|0.072914|0.500000| |2.131253|1.965316|2.129483|2.158237|2.267998|2.358027|2.320082|2.206344|2.380048|0.065436|2.071473|2.125540|2.552698|4.790586|3.776360|3.425065|5.663644|5.649861|8.924193|17.746865|8.916919|5.630321|4.978841|24.412048|53.949333|3.460065|1.805419|2.937633|1.737340|1.771792|1.661910|1.546232|1.523143|1.604923|2.514583|1.332692|1.242054|0.054436|0.063147|0.063472|0.050904|0.051054|0.056975|0.061765|0.064256|0.059059|0.213446|0.500000| |2.377953|2.269070|2.548317|2.832742|3.111737|3.001607|2.668209|2.489930|3.066568|0.092043|2.497035|2.387386|2.795631|4.827163|4.554928|4.268698|5.755860|5.588235|4.907636|5.613136|8.917196|17.751094|8.843463|43.892114|53.773162|3.734408|2.189895|3.431733|2.224327|2.397712|2.302482|2.081173|1.965183|2.020553|3.160972|1.688939|1.525791|0.059504|0.073772|0.066971|0.060665|0.056714|0.077108|0.091369|0.069693|0.062819|0.106786|0.124052|0.500000| |2.167785|2.434576|2.969661|3.488022|4.545202|4.723778|3.636906|3.026259|6.221572|0.223159|6.428355|4.725041|4.116777|5.988747|6.280272|3.842989|4.178469|2.737560|2.283839|2.080657|2.170767|2.538320|2.938231|28.447094|15.042436|7.020970|6.918668|9.181643|8.891990|17.726806|8.924188|5.627636|4.949717|5.654867|6.509857|3.130464|2.550615|0.054136|0.061771|0.059111|0.066908|0.063569|0.089876|0.146203|0.095565|0.073188|0.059681|0.051813|0.070964|0.500000| |2.064706|2.314104|2.696833|3.252907|3.877231|3.521725|2.848289|2.572398|3.834496|0.128770|3.679785|2.975558|2.750564|4.246762|4.206690|2.835873|3.248965|2.249148|1.934990|1.827038|1.950168|2.266934|2.482397|22.657463|14.033098|4.690897|4.072335|6.164547|5.640389|8.938804|17.694741|8.936154|5.662883|4.970271|7.449602|3.906694|2.981544|0.052442|0.059631|0.054796|0.066219|0.059800|0.090638|0.131387|0.072725|0.062835|0.050238|0.046017|0.065678|0.215138|0.500000| |2.161826|2.497439|2.808496|3.346936|3.627296|3.167523|2.704665|2.581707|3.113923|0.095778|3.053576|2.504639|2.288950|3.574979|3.445540|2.334738|2.761066|1.916954|1.686914|1.601533|1.691933|1.920183|2.071246|17.951748|12.366823|4.041316|3.536361|5.665435|4.929712|5.642603|8.924302|17.752115|8.856789|5.624290|12.469518|7.435704|4.682839|0.055734|0.061600|0.056064|0.074195|0.065103|0.097334|0.115297|0.068107|0.063677|0.044315|0.040852|0.055267|0.124196|0.216714|0.500000| |2.566994|3.178688|3.811343|4.063298|4.457709|4.569943|4.247105|3.898451|4.280050|0.112901|4.928169|3.796303|3.101936|4.651439|4.459238|2.759512|3.261246|2.125356|1.860374|1.695799|1.717098|1.912628|2.159102|18.618482|12.150092|6.146448|7.083069|12.317564|8.930359|5.648802|4.975014|5.652322|8.947540|17.752392|13.452747|4.866609|4.110918|0.064817|0.068891|0.068651|0.088655|0.088145|0.102441|0.118026|0.109467|0.096439|0.050241|0.043298|0.052543|0.124181|0.107874|0.123992|0.500000| |2.006868|2.340907|2.515300|2.810369|2.861693|2.593977|2.360870|2.330261|2.487982|0.072440|2.535779|2.154744|1.946958|3.089569|2.840782|1.922280|2.335839|1.618236|1.453260|1.380918|1.437464|1.593556|1.706672|14.214342|10.614898|3.585232|2.982977|5.119880|3.802557|3.760302|4.613598|6.806379|7.085459|4.791284|16.544202|17.525089|8.850854|0.052897|0.055825|0.051930|0.070345|0.063037|0.081325|0.084287|0.060494|0.059261|0.038720|0.035668|0.045331|0.087111|0.113886|0.226937|0.120500|0.500000| |2.375994|2.822604|3.009102|3.466298|3.389551|2.912155|2.630175|2.663383|2.671503|0.078007|2.609257|2.192506|2.022019|3.194299|3.024109|2.073857|2.513070|1.751983|1.567175|1.493050|1.563869|1.744109|1.864168|15.571199|11.530714|3.579643|2.974228|4.932454|3.803957|3.760356|4.608892|6.806721|7.082338|4.783678|16.544448|17.524754|8.851463|0.062399|0.066636|0.060141|0.087743|0.074374|0.104883|0.100280|0.065580|0.066690|0.041503|0.038420|0.049824|0.087025|0.113620|0.227030|0.120032|0.301274|0.500000| 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