Version2.0 2020-02-01T08:24:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)N(CC(=O)N[C@@H](c2ccccc2)c3cccc(c3)C)S(=O)(=O)c4ccccc4 C22347110 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)N(CC(=O)N[C@@H](c2ccccc2)c3cccc(c3)C)S(=O)(=O)c4ccccc4 C01[X(C30H30N2O3S1)] 192 C1 604 CCc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC(=O)N[C@H](c1cccc(c1)C)c1ccccc1 CCc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC(=O)N[C@H](c1cccc(c1)C)c1ccccc1 CCc1ccc(cc1)N(CC(=O)N[C@@H](c2ccccc2)c3cccc(C)c3)[S](=O)(=O)c4ccccc4 InChIKey=WDQGKXAVDVNHEM-PMERELPUSA-N InChI=1S/C30H30N2O3S/c1-3-24-17-19-27(20-18-24)32(36(34,35)28-15-8-5-9-16-28)22-29(33)31-30(25-12-6-4-7-13-25)26-14-10-11-23(2)21-26/h4-21,30H,3,22H2,1-2H3,(H,31,33)/t30-/m0/s1 InChI=1/C30H30N2O3S/c1-3-24-17-19-27(20-18-24)32(36(34,35)28-15-8-5-9-16-28)22-29(33)31-30(25-12-6-4-7-13-25)26-14-10-11-23(2)21-26/h4-21,30H,3,22H2,1-2H3,(H,31,33)/t30-/m0/s1/f/h31H CCc1ccc(cc1)N(CC(=O)N[C@@H](c2ccccc2)c3cccc(c3)C)S(=O)(=O)c4ccccc4 C01[X(C30H30N2O3S1)] 192 C01 604 CCc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC(=O)N[C@H](c1cccc(c1)C)c1ccccc1 CCc1ccc(cc1)N([S@@](=O)(c1ccccc1)O)CC(=O)N[C@H](c1cccc(c1)C)c1ccccc1 CCc1ccc(cc1)N(CC(=O)N[C@@H](c2ccccc2)c3cccc(C)c3)[S](O)(=O)c4ccccc4 InChIKey=WZLQJGARIWWCCF-SCINRJAWSA-N InChI=1S/C28H32N2O5S/c1-14(2)18-9-11-19(12-10-18)22-21(23(31)20-13-15(3)7-8-16(20)4)24(32)26(33)30(22)28-29-17(5)25(36-28)27(34)35-6/h7-14,17,21-22,25,28-29H,1-6H3/t17-,21+,22-,25-,28-/m0/s1 InChI=1/C28H32N2O5S/c1-14(2)18-9-11-19(12-10-18)22-21(23(31)20-13-15(3)7-8-16(20)4)24(32)26(33)30(22)28-29-17(5)25(36-28)27(34)35-6/h7-14,17,21-22,25,28-29H,1-6H3/t17-,21+,22-,25-,28-/m0/s1 3942.7981271378 -1884.4721694 1-A 22910.8683 132 472 604 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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|A|A|A|A|A|A|A|A|A| 5.7130 13.6797 16.8906 20.8899 25.4165 26.9681 31.2383 36.6156 38.9786 50.8451 56.8260 61.9666 63.7356 68.5359 86.3346 102.4594 134.9614 177.2017 203.1743 209.6794 217.9901 226.7922 232.2732 244.6700 247.9678 264.7505 275.3629 285.9727 327.3242 329.3831 344.7644 355.4057 382.1960 411.9028 434.0088 443.1578 452.1532 454.0513 467.9415 470.0562 478.2715 492.7158 518.9570 521.4266 525.3648 562.3510 572.5480 603.3860 624.4437 642.1778 654.9457 670.7195 674.1263 678.6165 695.8964 704.0883 705.3541 730.5548 763.0087 777.2541 785.3013 798.0918 807.1860 828.3256 840.3330 850.7270 854.2214 856.1459 870.3895 898.4505 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1322.46 1357.59 1373.34 1382.79 1385.19 1403.34 1442.59 1454.73 1488.76 1498.15 1511.70 1531.33 1535.61 1563.18 1564.77 1566.84 1567.97 1582.71 1593.40 1598.76 1602.15 1602.79 1604.28 1618.01 1620.59 1624.47 1631.54 1633.66 1657.81 1687.83 1695.27 1700.22 1704.12 1713.97 1720.06 1728.24 1736.62 1761.50 1763.57 1774.03 1792.34 1820.59 1856.12 1870.97 1874.02 1875.43 1880.14 1890.15 1901.46 1904.06 1931.14 1933.79 1939.59 1962.76 1987.30 2014.09 2062.40 2098.35 2107.05 2114.60 2116.48 2125.06 2126.87 2153.24 2160.42 2245.72 2251.38 2254.34 2264.60 2298.37 2317.75 2322.28 2323.16 2353.08 2353.90 2360.27 2361.43 2380.57 2385.55 2396.62 2405.73 2433.46 2460.80 2543.41 2567.67 2568.17 2575.25 2584.62 2606.10 2610.55 2614.21 2821.25 4607.85 4608.07 4621.27 4664.01 4688.18 4692.43 4701.31 4714.25 4719.45 4726.62 4765.09 4817.10 4819.25 4821.58 4825.60 4834.59 4834.96 4842.64 4843.50 4851.58 4863.30 4863.81 4865.98 4868.98 4879.29 4905.53 4910.36 4920.92 4942.45 5587.61 0.578272 0.609663 0.610607 0.506518 -1883.893898 -1883.862506 -1883.861562 -1883.965652 3.491196D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE CCc1ccc(cc1)N(CC(=O)N[C@@H](c2ccccc2)c3cccc(c3)C)S(=O)(=O)c4ccccc4 C22347110 RHF 6-31G(d) (6D,10F) C1 498.197715 |X|Y|Z| 70.774123 124.798508 48.240714 75.248735 30 6 7 16 27 2 1 |36.858105| |12.421762|36.858105| |7.509960|12.583618|36.858105| |5.640575|7.540126|13.710457|36.858105| |4.154916|5.009103|7.897114|13.755198|36.858105| |3.749674|4.423662|6.821181|7.932333|13.746490|36.858105| |4.166089|5.003944|7.871791|6.874637|7.941060|13.733703|36.858105| |5.679466|7.538675|13.690124|7.979995|6.907177|7.957783|13.770370|36.858105| |2.942723|3.318065|4.506118|5.140562|7.834483|13.273688|7.749928|5.124821|53.358707| |2.528332|2.891282|3.730485|4.163720|5.705091|7.600486|5.683464|4.158374|17.839108|36.858105| |2.317683|2.629404|3.275470|3.400323|4.216391|5.591561|5.125321|3.825734|10.369454|12.462467|36.858105| |2.451714|2.785319|3.471708|3.425180|4.083518|5.611508|5.884418|4.294384|9.106332|7.971115|15.890856|73.516695| |1.998208|2.238606|2.685534|2.799334|3.354520|4.074377|3.765546|3.024697|7.119704|7.881207|14.130723|15.068167|53.358707| |1.813980|2.013544|2.348880|2.383446|2.739276|3.250116|3.177946|2.654589|5.262649|5.003674|7.720816|12.003142|17.815550|36.858105| |1.898433|2.123975|2.474014|2.456468|2.778982|3.334495|3.394697|2.849102|5.181833|4.754775|7.501719|13.787909|12.761726|17.628260|0.500000| |1.694445|1.840983|2.124202|2.143555|2.444602|2.888429|2.852842|2.402075|4.681263|4.088519|5.714644|9.640577|10.368853|12.456124|0.249752|36.858105| |1.549644|1.671939|1.891261|1.886019|2.100793|2.431055|2.450261|2.125572|3.781107|3.176057|4.141111|7.380124|6.862185|7.578789|0.190068|13.662242|36.858105| |1.452828|1.545768|1.732320|1.724351|1.906620|2.185292|2.207910|1.936716|3.370293|2.726656|3.375228|6.076869|5.275834|5.016449|0.129744|7.890807|13.796813|36.858105| |1.468034|1.547202|1.741068|1.743487|1.942024|2.231023|2.232428|1.943872|3.490422|2.761573|3.332976|5.940448|5.069350|4.408440|0.111785|6.820909|7.939745|13.718395|36.858105| |1.588650|1.677343|1.916493|1.939333|2.201879|2.566633|2.522825|2.147562|4.156801|3.296503|4.002701|6.943268|6.083817|4.971390|0.120993|7.908934|6.906109|7.967012|13.795790|36.858105| |1.718954|1.843657|2.140666|2.180470|2.520149|2.996765|2.907608|2.416645|5.019934|4.208105|5.521194|9.138019|9.028424|7.441762|0.165646|13.752204|7.967297|6.880999|7.917370|13.702933|36.858105| |1.648069|1.830679|2.094687|2.142504|2.420248|2.747698|2.657724|2.301128|4.307124|4.042865|5.257914|8.175592|10.742309|12.485217|0.248497|7.462186|6.211348|4.352882|3.722957|3.946364|5.180209|36.858105| |1.509904|1.657671|1.880483|1.945716|2.196372|2.441626|2.322784|2.031532|3.850052|3.524260|4.212027|6.485224|8.140284|7.490039|0.155948|6.282327|5.538316|4.222998|3.709660|3.909271|4.884001|13.700862|36.858105| |1.400324|1.535728|1.718228|1.780210|1.979747|2.149400|2.047505|1.828632|3.303637|2.951205|3.342181|5.269872|5.906428|4.998790|0.116915|4.356102|4.161630|3.413535|3.023832|3.094720|3.620754|7.929227|13.769089|36.858105| |1.397249|1.543389|1.712775|1.763079|1.934031|2.081823|2.004593|1.815521|3.121627|2.769440|3.115856|5.024832|5.269440|4.424618|0.111311|3.703475|3.619531|2.983266|2.619958|2.650053|3.067878|6.850280|7.926512|13.748664|36.858105| |1.502390|1.677547|1.866483|1.901820|2.076943|2.256159|2.202898|1.996237|3.340861|2.990085|3.460675|5.678375|5.783540|4.993033|0.133250|3.890711|3.777799|3.021166|2.618497|2.654098|3.126412|7.847694|6.823262|7.908592|13.722814|36.858105| |1.641534|1.841897|2.082620|2.110959|2.336070|2.607615|2.562269|2.272226|3.921252|3.606438|4.481262|7.325640|7.896519|7.558646|0.204695|5.114840|4.737456|3.549071|3.034830|3.126360|3.853883|13.728760|7.963562|6.920357|7.983346|13.697704|36.858105| |1.468177|1.645732|1.802396|1.820113|1.947131|2.083391|2.060903|1.911028|2.994981|2.606785|2.933180|4.964114|4.581739|3.781485|0.106954|3.076396|3.047896|2.534949|2.221500|2.231543|2.559780|5.001357|4.427120|5.013284|7.543652|12.603986|7.555260|36.858105| |2.663700|2.832880|3.622175|3.977163|5.333009|7.145067|5.581890|4.082805|15.778656|7.146855|5.726754|9.444401|6.067133|3.507906|0.093801|3.400028|2.762096|2.551302|2.754136|3.383095|3.931147|2.857729|2.641870|2.259611|2.092767|2.189172|2.538236|1.952475|388.023441| |2.231999|2.377692|2.922963|3.167924|4.042609|5.036292|4.218569|3.253096|10.608748|7.023192|6.230784|9.451582|7.231237|4.083508|0.103571|4.108300|3.202168|2.952693|3.266691|4.244772|5.111654|3.262479|3.080598|2.566185|2.309473|2.375938|2.775797|2.066376|94.387767|73.516695| |2.861031|2.960318|3.747922|3.853397|4.760813|6.412010|6.007162|4.436039|10.298473|5.163457|4.758578|8.850437|5.104523|3.164039|0.087639|3.154423|2.647885|2.493894|2.702274|3.247219|3.613693|2.572603|2.357525|2.033959|1.905174|2.008333|2.323092|1.817268|94.978035|13.603176|73.516695| |2.649199|2.737041|3.404353|3.957649|5.219193|5.624819|4.317414|3.524766|9.543022|5.036071|3.935469|6.448812|4.560699|2.736356|0.072807|2.658752|2.243118|2.111431|2.277255|2.713960|3.014008|2.365185|2.255905|1.991009|1.853465|1.908016|2.142370|1.726219|76.428063|13.029858|13.139252|36.858105| |2.304110|2.394928|2.890527|3.391004|4.340650|4.410892|3.457046|2.920955|7.500228|4.626805|3.603760|5.692366|4.416185|2.646030|0.068925|2.568096|2.171083|2.046120|2.207103|2.625731|2.908237|2.350503|2.298771|2.047333|1.888502|1.912276|2.117636|1.720480|49.514030|11.445684|8.856513|13.724357|36.858105| |2.201240|2.246963|2.631475|3.095767|3.746323|3.585194|2.917362|2.580875|5.552090|3.551180|2.878237|4.647883|3.607202|2.231550|0.058598|2.172929|1.882226|1.792001|1.923319|2.234790|2.418443|2.032370|2.008112|1.826400|1.698870|1.709866|1.860255|1.557989|33.680083|7.835262|6.847255|7.967376|13.774994|36.858105| |2.364664|2.349516|2.712812|3.182133|3.697529|3.441958|2.871452|2.613523|4.983387|3.094516|2.567262|4.270888|3.177560|2.003750|0.053487|1.956300|1.719094|1.646734|1.761322|2.017634|2.156079|1.824438|1.786262|1.635094|1.538255|1.559401|1.692040|1.438509|29.918873|6.572621|6.602535|6.913808|7.940255|13.729288|36.858105| |2.736813|2.665034|3.117623|3.626559|4.185362|3.927166|3.306178|3.015039|5.460303|3.207170|2.679380|4.563800|3.230827|2.042776|0.055254|1.996447|1.755053|1.681150|1.797524|2.058260|2.199432|1.831837|1.766610|1.606530|1.519541|1.557392|1.704922|1.442031|33.675500|6.836428|7.903737|7.970600|6.856069|7.920411|13.756635|36.858105| |2.946356|2.925510|3.581020|4.132786|5.073138|5.105504|4.169672|3.606470|7.280443|3.932084|3.234242|5.541321|3.772471|2.345803|0.063650|2.289458|1.981908|1.885431|2.022505|2.351184|2.548017|2.053904|1.954082|1.750012|1.650082|1.705185|1.895964|1.567579|49.540067|8.856750|11.631748|13.748347|7.886553|6.850878|7.935994|13.746197|36.858105| |17.545499|8.776860|5.481235|4.416600|3.409027|3.110044|3.415918|4.436350|3.442539|2.227935|2.068510|3.879336|2.466065|1.663931|0.048384|1.558871|1.439006|1.353915|1.363524|1.463581|1.573811|1.527076|1.404541|1.311954|1.314836|1.411895|1.530279|1.390325|16.446766|3.521469|4.384574|2.307315|2.045419|1.974618|2.117090|2.407384|2.541963|0.500000| |17.552887|8.766431|6.800834|5.939558|4.371648|3.779875|3.969139|5.044373|4.072505|2.537128|2.279898|4.217440|2.684617|1.775417|0.051063|1.664792|1.516003|1.425522|1.449786|1.577473|1.703894|1.616166|1.492761|1.385198|1.374855|1.467264|1.598441|1.426114|19.531200|4.058242|5.189935|2.836869|2.466121|2.391962|2.623203|3.075687|3.242925|0.301113|0.500000| |17.557323|8.766132|6.805812|5.011432|3.960656|3.784649|4.396983|6.007260|4.071895|2.539702|2.366809|4.523609|2.761757|1.852708|0.054081|1.747220|1.600480|1.507142|1.528314|1.653953|1.780884|1.665760|1.522316|1.403632|1.394996|1.500619|1.649718|1.459914|19.697604|4.098589|5.472796|2.703506|2.313133|2.188348|2.350796|2.758946|3.027246|0.301128|0.301822|0.500000| |8.852364|17.544345|8.915122|7.156508|4.731531|3.978897|4.211146|5.667209|4.187470|2.748471|2.471290|4.558887|2.909351|1.920480|0.055889|1.746596|1.589244|1.467553|1.465118|1.584694|1.742557|1.772370|1.614725|1.509051|1.523578|1.651525|1.794505|1.630395|18.588205|3.965816|4.723582|2.580038|2.311598|2.198441|2.294105|2.551139|2.735021|0.213040|0.210818|0.173002|0.500000| |8.854018|17.546987|8.919197|5.684673|4.223540|3.982519|4.726013|7.131840|4.185209|2.750833|2.581487|4.948269|3.006789|2.018220|0.059873|1.841375|1.686310|1.556098|1.545384|1.661334|1.824121|1.837565|1.651760|1.532569|1.550717|1.698946|1.867133|1.680902|18.723953|4.001977|4.930438|2.478402|2.184438|2.037789|2.105891|2.362108|2.601945|0.213164|0.173021|0.210732|0.304001|0.500000| |5.511614|6.985904|8.905309|17.700054|8.941394|5.649233|4.951572|5.657412|5.685325|3.552817|2.930232|5.167105|3.393607|2.146618|0.060977|1.940706|1.723404|1.584465|1.601538|1.769980|1.971993|1.966998|1.808826|1.675388|1.664761|1.782457|1.948429|1.718539|24.171260|4.975341|5.796075|3.557094|3.172184|3.010237|3.143306|3.506473|3.772669|0.124710|0.171190|0.128296|0.214528|0.144041|0.500000| |3.538635|4.083681|5.625517|8.902795|17.717838|8.937383|5.651951|4.969767|9.852848|5.640645|3.990870|6.559504|4.484552|2.662243|0.073419|2.382629|2.042293|1.858636|1.902039|2.165548|2.475228|2.391543|2.209625|2.003239|1.944442|2.060282|2.291807|1.920644|37.105055|7.293143|7.740167|5.687669|5.041975|4.394628|4.230132|4.575715|5.321024|0.083281|0.105870|0.093003|0.112100|0.097193|0.215435|0.500000| |3.548334|4.078862|5.611933|4.957860|5.661211|8.957256|17.779431|8.883448|9.717362|5.621863|5.740403|13.182606|5.588391|3.534050|0.107200|3.209207|2.741018|2.459713|2.484679|2.816749|3.267991|2.854278|2.458597|2.136051|2.080362|2.298266|2.720972|2.131046|40.196830|7.910143|11.532262|4.049920|3.269493|2.734349|2.660310|3.030589|3.820279|0.083463|0.093250|0.106471|0.096933|0.111868|0.107586|0.124578|0.500000| |5.584192|6.998054|8.909812|5.661130|4.968589|5.662224|8.963247|17.702375|5.661020|3.545002|3.447641|7.077756|3.799953|2.530011|0.076542|2.315289|2.084615|1.910105|1.905994|2.076862|2.309180|2.198886|1.935992|1.748775|1.745394|1.927148|2.189184|1.861445|25.000889|5.161475|6.990375|3.030766|2.552356|2.280770|2.316249|2.652972|3.114472|0.125893|0.129780|0.174997|0.143649|0.213379|0.124178|0.107790|0.214993|0.500000| |2.282939|2.559044|3.196573|3.628073|4.848120|5.745196|4.401784|3.432020|12.418390|17.633252|8.808408|10.480561|10.269622|4.792840|0.119296|4.034481|3.121851|2.706931|2.776947|3.356832|4.274651|4.048975|3.716467|3.110853|2.846799|2.977450|3.511045|2.555424|47.501877|13.484364|8.214863|5.196315|5.238671|3.922906|3.262808|3.251761|3.888762|0.056468|0.064422|0.063387|0.068573|0.067317|0.089408|0.143837|0.120508|0.082792|0.500000| |2.629273|3.100539|4.022265|4.575871|6.197139|7.496315|5.644981|4.342783|12.666080|17.599639|8.992284|11.912504|8.943771|4.518429|0.123314|3.584568|2.890504|2.476312|2.459221|2.842437|3.532275|3.892678|3.361706|2.903504|2.807430|3.084631|3.666963|2.746742|38.157170|8.987145|7.538105|4.277435|4.016884|3.252189|2.890997|2.981963|3.536909|0.064486|0.072878|0.072065|0.083232|0.082010|0.108714|0.169614|0.146339|0.101605|0.303012|0.500000| |1.910096|2.128113|2.536937|2.704272|3.263927|3.816603|3.399959|2.780372|6.759645|7.558996|9.400513|10.871039|26.076770|9.037511|0.182373|6.377240|4.462137|3.567342|3.497808|4.217178|6.000608|7.367711|6.457283|4.694281|4.030931|4.204873|5.379283|3.290254|30.733524|9.493912|6.240929|3.408267|3.439610|2.805027|2.419178|2.408786|2.774466|0.048244|0.052877|0.053478|0.057057|0.057795|0.067918|0.091956|0.099535|0.070733|0.239988|0.177342|0.500000| |1.514119|1.642870|1.843502|1.829059|2.014955|2.308075|2.344343|2.063507|3.514597|2.967509|3.826384|6.885329|6.297593|7.087341|0.193401|8.894568|17.700964|8.954673|5.650863|4.967906|5.656763|6.671537|5.656631|4.428560|4.014816|4.322139|5.460718|3.474515|17.791254|5.018321|4.275548|2.062844|1.999913|1.751422|1.608886|1.641804|1.840974|0.039240|0.040957|0.043280|0.043543|0.046337|0.046595|0.054279|0.072325|0.056561|0.080303|0.077106|0.113935|0.500000| |1.364140|1.446671|1.603380|1.588356|1.735621|1.966113|1.999872|1.782439|2.976124|2.383172|2.882170|5.234508|4.419381|4.102208|0.109858|5.627347|8.941742|17.709537|8.895933|5.655725|4.955584|3.778328|3.704363|3.149517|2.817802|2.845236|3.240225|2.440813|15.919967|4.504176|3.928026|1.889591|1.834510|1.627774|1.507729|1.538691|1.709650|0.035519|0.037102|0.039290|0.038238|0.040621|0.040768|0.046971|0.061457|0.049199|0.065559|0.061129|0.083900|0.216512|0.500000| |1.386805|1.448843|1.615867|1.615295|1.783902|2.026357|2.032683|1.792503|3.126712|2.425166|2.835914|5.081509|4.206978|3.529953|0.091469|4.924510|5.645212|8.892678|17.712310|8.915742|5.632666|3.093555|3.125358|2.647361|2.323660|2.305956|2.606909|1.994162|17.737972|5.166162|4.411518|2.112723|2.052493|1.812795|1.673021|1.706308|1.901564|0.035924|0.038105|0.040168|0.038140|0.040186|0.041447|0.048617|0.062365|0.049040|0.067891|0.060544|0.081840|0.124247|0.214206|0.500000| |1.583684|1.655314|1.889995|1.922704|2.187369|2.533700|2.468035|2.104944|4.115757|3.159324|3.650785|6.305876|5.324877|4.060951|0.100713|5.642543|4.969078|5.653462|8.923363|17.715030|8.930088|3.326381|3.341533|2.732071|2.360525|2.349080|2.711430|2.006768|24.945833|7.937938|6.023709|2.862046|2.775724|2.362877|2.130698|2.170668|2.477319|0.040482|0.043961|0.045898|0.043410|0.045247|0.048885|0.060105|0.075858|0.056336|0.090445|0.075256|0.105217|0.107775|0.124133|0.214603|0.500000| |1.835411|1.972029|2.325988|2.405474|2.848683|3.437443|3.231372|2.622876|6.078775|5.143647|6.589892|10.142375|10.309205|6.843308|0.153165|8.898209|5.649483|4.959880|5.655880|8.953228|17.758401|4.809510|4.539343|3.431401|2.931394|2.989683|3.656871|2.469432|34.965120|12.611576|7.593375|3.605767|3.476088|2.797117|2.449601|2.495163|2.940918|0.046321|0.050878|0.052722|0.051735|0.053650|0.060071|0.078330|0.100139|0.068387|0.149122|0.113676|0.197010|0.124026|0.107632|0.124363|0.217299|0.500000| |1.491182|1.622452|1.845240|1.917433|2.180427|2.432501|2.296419|1.994641|3.906523|3.523855|4.158876|6.356999|7.969649|6.928771|0.141022|6.879561|5.825303|4.629240|4.235538|4.593148|5.753232|8.894196|17.715192|8.926182|5.643186|4.926206|5.652131|3.542217|19.702222|5.933787|4.364729|2.365219|2.431205|2.111490|1.862076|1.832799|2.029440|0.038454|0.041155|0.041907|0.043767|0.044661|0.049504|0.061277|0.067698|0.052666|0.105806|0.090488|0.182206|0.150840|0.109445|0.097871|0.108329|0.146777|0.500000| |1.317969|1.434509|1.596329|1.660682|1.842147|1.980272|1.877602|1.686314|3.040250|2.662588|2.930378|4.642103|5.015723|4.075783|0.096601|3.786628|3.669520|3.166838|2.873923|2.927958|3.311681|5.642443|8.931169|17.709890|8.923200|5.635639|4.975948|4.089085|15.052317|4.287581|3.388676|1.899438|1.975907|1.780338|1.590688|1.550567|1.673886|0.034385|0.036369|0.036671|0.039252|0.039623|0.043703|0.052159|0.054118|0.044788|0.079064|0.072371|0.112464|0.105620|0.082143|0.071168|0.073049|0.087705|0.215614|0.500000| |1.313379|1.445540|1.588527|1.636193|1.778052|1.888752|1.819767|1.668098|2.798706|2.435180|2.669362|4.352483|4.353123|3.539837|0.091069|3.077951|3.053994|2.610466|2.322353|2.331743|2.632744|4.938909|5.644805|8.925627|17.700252|8.912292|5.659907|6.986790|13.421857|3.667026|3.071160|1.700216|1.740323|1.584776|1.441556|1.418862|1.526652|0.034503|0.035941|0.036317|0.039841|0.040348|0.043271|0.049833|0.052073|0.044654|0.069672|0.069024|0.092782|0.093230|0.069684|0.058216|0.058538|0.070328|0.124254|0.215726|0.500000| |1.746577|1.979282|2.239834|2.237126|2.453009|2.762442|2.776268|2.472359|4.060653|3.695537|4.688499|8.058597|7.629571|7.067314|0.227750|4.772228|4.436624|3.365236|2.890881|2.977140|3.648029|8.941415|5.659192|4.974105|5.666512|8.928641|17.686303|7.034294|18.333262|4.887309|4.257434|2.154212|2.094505|1.838863|1.688969|1.720034|1.923413|0.045192|0.046845|0.048826|0.053333|0.056281|0.056927|0.065759|0.082504|0.066684|0.096075|0.106347|0.136235|0.142237|0.085913|0.069379|0.072173|0.096958|0.124255|0.107872|0.124330|0.500000| |1.572376|1.782476|1.953083|1.963529|2.088351|2.231013|2.220079|2.070603|3.161269|2.755550|3.086937|5.273081|4.685912|3.757216|0.109703|2.990694|2.904146|2.416450|2.140252|2.173144|2.509517|4.683256|3.961271|4.210132|5.666718|8.831127|7.046511|17.566272|14.379016|3.747940|3.352403|1.782303|1.763120|1.594340|1.478154|1.489470|1.623937|0.041335|0.042226|0.043291|0.049145|0.050829|0.051377|0.056816|0.063465|0.056040|0.073715|0.082367|0.092053|0.090703|0.064214|0.053379|0.054564|0.068089|0.090174|0.097056|0.144063|0.211024|0.500000| |1.406853|1.567049|1.702981|1.702527|1.807673|1.940460|1.944682|1.814438|2.773085|2.368505|2.688615|4.654391|4.142980|3.508321|0.101158|2.961669|3.042502|2.556863|2.209382|2.177388|2.456029|4.468098|3.981211|4.424256|6.189629|8.844956|6.340564|17.530417|13.031817|3.440247|3.072593|1.619040|1.604765|1.457684|1.354029|1.362769|1.480349|0.037143|0.037841|0.039029|0.042955|0.044698|0.044638|0.049247|0.056268|0.049597|0.064150|0.068471|0.081505|0.098590|0.069655|0.055407|0.054241|0.064888|0.090700|0.103067|0.164777|0.172057|0.302212|0.500000| |1.395778|1.558964|1.696091|1.725218|1.838632|1.938994|1.901079|1.775764|2.779837|2.398368|2.620488|4.397707|4.053762|3.235411|0.089607|2.706319|2.672292|2.277080|2.027248|2.040972|2.312529|4.175810|3.956819|4.712520|7.130984|8.834261|5.620973|17.571849|12.956832|3.422881|3.005362|1.637752|1.647115|1.505130|1.389661|1.384174|1.491757|0.036847|0.037812|0.038383|0.043202|0.044049|0.045674|0.050821|0.054052|0.047901|0.066180|0.070428|0.082804|0.082796|0.061172|0.051061|0.051559|0.062512|0.090126|0.111951|0.215198|0.142844|0.301621|0.302084|0.500000| |2.125800|2.240902|2.692838|3.115897|3.976539|4.161741|3.295087|2.757312|7.482763|5.083059|3.943844|5.997342|4.987593|2.927769|0.074568|2.836636|2.359886|2.208094|2.386462|2.879914|3.245276|2.606773|2.582794|2.279028|2.071589|2.078524|2.307872|1.843175|47.315525|13.081840|8.166276|8.911437|17.751694|8.903579|5.642523|4.946243|5.629844|0.052825|0.062290|0.059235|0.060317|0.057535|0.080761|0.126970|0.088314|0.067492|0.173972|0.119387|0.111551|0.060014|0.054548|0.061086|0.084309|0.110085|0.076815|0.061222|0.052727|0.062591|0.052153|0.047499|0.049007|0.500000| |1.986757|2.035977|2.345216|2.734172|3.236879|3.090985|2.562358|2.293423|4.770891|3.217996|2.653504|4.253781|3.416646|2.133018|0.055601|2.078756|1.812337|1.729188|1.851692|2.136703|2.300543|1.977505|1.983223|1.822265|1.689738|1.682786|1.811010|1.532414|27.827527|6.856182|5.742149|5.658533|8.934460|17.725193|8.901793|5.638274|4.941184|0.050089|0.059593|0.054580|0.055886|0.051706|0.074880|0.105134|0.067261|0.056894|0.100671|0.083043|0.074880|0.046986|0.043787|0.048630|0.062643|0.073212|0.058084|0.049797|0.044027|0.049309|0.043337|0.039761|0.041394|0.214682|0.500000| |2.211641|2.176087|2.449637|2.842233|3.182120|2.931081|2.507375|2.334299|4.158264|2.661550|2.252423|3.768085|2.827728|1.809232|0.048390|1.769445|1.572908|1.513669|1.613349|1.826243|1.933733|1.668348|1.643130|1.519829|1.435444|1.449572|1.558043|1.345606|24.177509|5.465955|5.486591|4.973166|5.649973|8.917295|17.717568|8.924856|5.646916|0.055745|0.068393|0.060676|0.059635|0.054332|0.079762|0.100088|0.064754|0.058168|0.077792|0.070239|0.059863|0.041103|0.038761|0.042834|0.053470|0.060188|0.047461|0.041288|0.037613|0.043138|0.038342|0.035254|0.036292|0.124105|0.214931|0.500000| |2.840411|2.677357|3.042569|3.462067|3.773743|3.500951|3.070503|2.900985|4.670257|2.792043|2.391130|4.141943|2.896027|1.861512|0.050784|1.823569|1.623096|1.562398|1.664095|1.881205|1.990761|1.678864|1.616586|1.479961|1.408971|1.446997|1.576373|1.350972|27.829430|5.742238|6.920174|5.661855|4.944005|5.637336|8.911096|17.727292|8.929712|0.069766|0.090297|0.079684|0.071152|0.065619|0.094721|0.111029|0.078148|0.071895|0.077473|0.073314|0.059519|0.042399|0.040004|0.044155|0.054964|0.061785|0.046371|0.039714|0.036704|0.044356|0.038806|0.035618|0.036074|0.107425|0.124018|0.215040|0.500000| 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