Version2.0 2020-07-29T20:21:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1c(csc1Cl)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4CCCN(C4)c5ncccn5 C39669489 RHF 6-31G(d) (6D,7F) COc1c(csc1Cl)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4CCCN(C4)c5ncccn5 C01[X(C25H34Cl1N6O3S1)] 204 C1 616 COc1c(Cl)scc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H]1CCCN(C1)c1ncccn1 COc1c(Cl)scc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H]1CCCN(C1)c1ncccn1 COc1c(Cl)scc1C(=O)N2C[C@@H](C(=O)NC[C@@H]3CCCN(C3)c4ncccn4)C5(CC[NH2+]CC5)C2 InChIKey=KGKFXTLQHGACKJ-HKUYNNGSSA-O InChI=1S/C25H33ClN6O3S/c1-35-20-18(15-36-21(20)26)23(34)32-14-19(25(16-32)5-9-27-10-6-25)22(33)30-12-17-4-2-11-31(13-17)24-28-7-3-8-29-24/h3,7-8,15,17,19,27H,2,4-6,9-14,16H2,1H3,(H,30,33)/p+1/t17-,19-/m0/s1 InChI=1/C25H33ClN6O3S/c1-35-20-18(15-36-21(20)26)23(34)32-14-19(25(16-32)5-9-27-10-6-25)22(33)30-12-17-4-2-11-31(13-17)24-28-7-3-8-29-24/h3,7-8,15,17,19,27H,2,4-6,9-14,16H2,1H3,(H,30,33)/p+1/t17-,19-/m0/s1/fC25H34ClN6O3S/h27,30H/q+1 COc1c(csc1Cl)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4CCCN(C4)c5ncccn5 C01[X(C25H34Cl1N6O3S1)] 204 C01 616 COc1c(Cl)scc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H]1CCCN(C1)c1ncccn1 CO[C]1=C(Cl)S[CH]=[C]1C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)[C]([NH]C[C@@H]1CCC[N@](C1)[C]1[N][CH][CH][CH][N]1)=O COc1c(Cl)scc1C(=O)N2C[C@@H](C(=O)NC[C@@H]3CCCN(C3)[C]4[N][CH][CH][CH][N]4)C5(CC[NH2]CC5)C2 InChIKey=DBLFGDYINWSQAA-HKUYNNGSSA-N InChI=1S/C25H34ClN6O3S/c1-35-20-18(15-36-21(20)26)23(34)32-14-19(25(16-32)5-9-27-10-6-25)22(33)30-12-17-4-2-11-31(13-17)24-28-7-3-8-29-24/h3,7-8,15,17,19H,2,4-6,9-14,16,27H2,1H3,(H,30,33)/t17-,19-/m0/s1 InChI=1/C25H34ClN6O3S/c1-35-20-18(15-36-21(20)26)23(34)32-14-19(25(16-32)5-9-27-10-6-25)22(33)30-12-17-4-2-11-31(13-17)24-28-7-3-8-29-24/h3,7-8,15,17,19H,2,4-6,9-14,16,27H2,1H3,(H,30,33)/t17-,19-/m0/s1/f/h30H 4287.2992573922 -2374.5727996 1-A 29338.7106 141 475 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.90636 -92.06551 -20.66078 -20.62537 -20.61445 -15.87254 -15.68700 -15.68212 -15.63791 -15.61743 -15.61248 -11.46172 -11.45814 -11.45050 -11.44432 -11.40590 -11.39409 -11.39271 -11.38986 -11.38609 -11.38404 -11.38253 -11.37049 -11.36625 -11.36467 -11.35887 -11.35149 -11.34842 -11.34234 -11.33981 -11.32044 -11.30922 -11.30589 -11.29095 -11.28243 -11.28165 -10.63911 -9.07551 -8.10867 -8.10499 -8.10490 -6.75795 -6.75701 -6.75515 -1.50734 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11948.7473 47245.2662 49801.4808 0.99987 -0.01186 0.01087 0.01205 0.99978 -0.01728 -0.01066 0.01741 0.99979 1 0.00725 0.00183 0.00174 0.15104 0.03820 0.03624 7.62 17.77 24.02 31.94 39.33 58.56 59.76 61.40 73.30 80.96 100.27 125.70 136.04 165.98 193.33 210.35 219.08 226.64 251.45 267.47 286.37 295.93 313.51 329.66 351.73 365.88 370.66 390.59 392.64 438.56 448.34 460.56 471.90 534.05 546.99 567.12 594.39 609.74 612.84 628.31 643.13 662.08 676.28 692.43 716.82 749.00 768.84 776.53 788.41 805.67 824.46 845.70 856.19 858.19 972.68 1008.51 1012.33 1042.33 1108.71 1119.38 1156.12 1207.95 1223.82 1235.99 1242.07 1253.25 1266.45 1277.45 1284.41 1308.64 1312.89 1337.25 1348.40 1351.84 1355.15 1368.59 1378.96 1388.50 1406.46 1448.46 1470.88 1500.33 1523.41 1527.75 1553.45 1558.68 1567.17 1576.40 1578.19 1596.46 1614.50 1634.15 1639.00 1641.14 1643.61 1664.84 1689.40 1690.09 1710.47 1717.50 1734.80 1759.45 1767.65 1778.44 1806.90 1816.57 1843.26 1849.68 1858.37 1859.37 1897.43 1901.15 1914.05 1921.33 1934.03 1947.78 1964.40 1972.25 1977.19 1978.78 2005.67 2032.51 2034.08 2056.51 2084.68 2086.83 2093.57 2105.13 2107.04 2129.32 2136.30 2164.53 2169.30 2179.94 2185.16 2200.39 2215.15 2220.05 2224.34 2234.11 2240.66 2243.02 2251.48 2257.62 2271.30 2277.50 2330.65 2331.98 2342.19 2344.71 2348.42 2360.01 2365.54 2366.43 2368.19 2368.53 2373.51 2385.95 2397.40 2399.42 2410.58 2415.20 2426.01 2469.88 2542.35 2570.91 2614.21 2629.99 2760.79 2801.49 4568.55 4584.93 4598.29 4607.80 4609.65 4615.95 4618.61 4629.63 4651.40 4658.25 4660.19 4677.00 4680.32 4685.69 4697.57 4717.27 4719.28 4721.93 4735.35 4750.03 4758.51 4797.25 4801.79 4809.16 4813.56 4829.45 4833.30 4847.97 4849.86 4921.31 4951.09 5274.20 5365.41 5568.15 0.635833 0.667897 0.668841 0.565307 -2373.936966 -2373.904902 -2373.903958 -2374.007492 3.472547D-04 MUNgauss RevisionA2.0 retrievium 29-Jul-2020 DUDE COc1c(csc1Cl)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4CCCN(C4)c5ncccn5 C39669489 RHF 6-31G(d) (6D,10F) C1 533.210164 |X|Y|Z| 63.949090 52.811433 149.866088 79.693316 31 6 7 16 24 6 1 |36.858105| |13.555114|73.516695| |8.128930|25.255739|36.858105| |5.946291|13.698256|13.139030|36.858105| |4.363206|9.425739|8.214937|14.130570|36.858105| |4.019448|8.760963|7.414799|7.430675|11.091036|388.023441| |5.769989|14.309780|14.161391|8.229936|7.770473|78.305080|36.858105| |4.914546|10.881298|6.968609|4.788329|4.610753|45.224836|11.122559|448.794386| |5.451097|11.132455|7.342577|12.736108|7.576252|33.772501|5.107391|28.802791|36.858105| |5.364443|11.167804|6.301599|8.093809|5.477550|28.110411|4.463072|26.923265|15.913792|73.516695| |4.337115|8.001701|5.126080|7.764247|6.266371|28.863003|4.028958|24.043639|13.954578|15.214122|53.358707| |3.590786|6.450159|3.835789|5.030730|4.311166|22.210360|3.134439|19.921848|7.877224|12.683820|17.812079|36.858105| |2.993310|5.240795|3.147880|3.971714|3.692015|19.839869|2.706705|17.649484|5.206644|8.154687|10.981367|12.353165|36.858105| |2.770958|4.759372|2.777287|3.346553|3.086773|17.304442|2.405612|16.098510|4.269504|7.087222|7.975145|8.765802|17.562322|0.500000| |3.267163|5.561305|3.412518|4.309056|4.068072|21.875159|2.961142|19.129015|5.217370|7.595685|11.026991|7.862119|12.272037|0.241892|36.858105| |3.864705|6.851592|4.503276|6.361053|6.063208|29.070592|3.822811|23.187859|7.508382|9.430339|17.850882|7.854789|7.923127|0.158106|12.338666|36.858105| |3.548491|5.673490|3.311316|3.899392|3.500681|19.874902|2.840572|18.882634|4.652550|7.165994|8.472382|6.258667|7.585748|0.203755|12.308103|7.482106|36.858105| |3.519596|5.469961|3.205097|3.597899|3.319743|19.836745|2.841757|19.306852|3.894546|5.984528|6.412783|4.323145|4.879710|0.130255|7.399829|5.969552|12.496958|36.858105| |2.813267|4.543378|2.711677|3.047266|2.967812|18.150862|2.497194|17.232732|3.207781|4.965706|5.266898|3.631376|4.368299|0.117370|6.430819|5.054499|7.677636|12.654764|53.358707| |2.702908|4.342298|2.585405|2.829937|2.783156|17.600497|2.427117|17.068286|2.887950|4.508104|4.556433|3.098792|3.568179|0.095997|4.895529|4.240304|5.670852|9.169056|25.682361|0.500000| |2.546820|4.127516|2.427545|2.709627|2.626558|16.153477|2.233408|15.605793|2.906227|4.608929|4.752881|3.447050|4.254424|0.120355|5.767127|4.322488|7.015237|9.197555|25.672750|0.328373|0.500000| |2.673558|4.490240|2.770479|3.230115|3.291395|19.688073|2.584960|17.478393|3.363989|5.080489|5.704340|3.839982|4.827598|0.121769|7.456762|5.969380|6.508548|7.597935|17.197890|0.254199|0.255628|36.858105| |2.679623|4.587472|2.827655|3.425995|3.448110|19.639373|2.574720|17.113485|3.798542|5.725054|6.963771|4.987477|7.354491|0.175040|12.379144|7.390657|7.610720|6.486861|10.457073|0.157543|0.195863|12.515985|36.858105| |2.534161|4.576991|2.801268|3.521350|3.488876|19.004238|2.491618|16.374259|4.323098|6.867685|8.157943|7.599716|12.455885|0.246681|7.377923|6.106343|4.904482|3.719971|4.930397|0.085186|0.098791|4.275763|6.417644|36.858105| |2.479793|4.550887|2.865699|3.656307|3.836739|20.710582|2.606637|16.968977|4.234851|6.496758|7.749037|6.005633|7.955620|0.164543|6.603431|6.335336|4.337784|3.532722|4.827306|0.084880|0.094237|4.439381|6.433499|15.779998|73.516695| |2.236089|4.037654|2.416460|2.925288|2.874772|16.296952|2.167396|14.589751|3.542025|5.963201|6.096504|5.852894|7.861716|0.210062|5.100188|4.322427|3.946864|3.091356|4.128521|0.072870|0.085178|3.423876|4.711711|14.248627|15.136327|53.358707| |1.959255|3.582812|2.152918|2.561580|2.585602|15.064634|1.973607|13.461247|2.970567|5.051123|4.815739|4.214734|4.999107|0.133161|3.808019|3.458309|3.066182|2.547008|3.476997|0.062955|0.071602|2.902279|3.747865|7.765505|12.142297|17.749527|36.858105| |1.788996|3.261713|1.922893|2.229372|2.214343|13.214965|1.764477|12.247965|2.576879|4.530775|4.014636|3.538982|3.945087|0.111720|3.078911|2.810461|2.639487|2.220419|3.002486|0.055049|0.062508|2.417522|2.988322|5.125969|7.950633|10.572690|12.484032|36.858105| |1.753658|3.155505|1.843587|2.118027|2.083590|12.514866|1.688051|11.792391|2.451433|4.318136|3.838723|3.420729|3.923795|0.116849|3.072258|2.716000|2.696565|2.261211|3.070863|0.056140|0.064910|2.436206|3.009192|4.826510|7.245926|9.893422|8.926709|17.478552|0.500000| |1.584265|2.900399|1.713334|1.957362|1.974286|12.063461|1.598205|11.233837|2.195282|3.852943|3.334668|2.799202|3.057642|0.085346|2.540542|2.375032|2.210411|1.920063|2.631633|0.048996|0.054683|2.122606|2.535248|3.833702|6.439146|6.802004|7.528403|12.406016|0.247112|36.858105| |1.463275|2.671398|1.558386|1.750216|1.747190|10.836200|1.455172|10.358436|1.955360|3.489757|2.909550|2.436372|2.590907|0.073661|2.185133|2.050548|1.961290|1.719323|2.339398|0.043907|0.048800|1.847624|2.157925|3.053543|5.080143|5.200877|4.894085|7.513901|0.190442|12.417395|36.858105| |1.513631|2.778711|1.608306|1.799389|1.775479|10.992539|1.491917|10.626033|2.029358|3.692869|2.971939|2.512967|2.572742|0.073088|2.145867|2.041024|1.945361|1.694960|2.265581|0.042544|0.047000|1.770361|2.060879|2.953003|4.851990|4.968037|4.381406|6.496823|0.161382|7.511195|12.443305|36.858105| |1.680455|3.074815|1.770040|1.995689|1.939118|11.817691|1.618922|11.433761|2.306254|4.242556|3.408642|2.988705|3.031287|0.087463|2.440124|2.294533|2.214594|1.888984|2.491215|0.046364|0.051749|1.934463|2.287788|3.440999|5.425930|6.010288|5.001133|7.778217|0.198634|6.612711|7.767290|13.072498|53.358707| |1.862850|3.428181|1.999409|2.307456|2.251228|13.404528|1.816495|12.610674|2.712815|4.928726|4.107768|3.691710|3.778802|0.106556|2.915064|2.741249|2.554008|2.137024|2.812934|0.051811|0.058043|2.222436|2.701015|4.558583|7.019539|8.572224|7.496646|12.406217|0.247635|7.621022|6.577306|7.859316|17.919763|36.858105| |1.665183|3.010285|1.709830|1.906137|1.827411|11.199935|1.556394|11.071128|2.211913|4.108808|3.259166|2.885299|2.923765|0.087106|2.367033|2.191580|2.210330|1.882656|2.466930|0.045937|0.051676|1.879941|2.205849|3.155236|4.892297|5.387135|4.112282|5.764916|0.171571|4.842603|5.688599|7.730593|19.043235|7.799181|36.858105| |1.505064|2.714272|1.534618|1.686956|1.622904|10.108803|1.408653|10.142364|1.923692|3.571762|2.796287|2.409015|2.438711|0.072338|2.040966|1.902088|1.934044|1.679494|2.212824|0.041590|0.046446|1.674905|1.927304|2.596243|4.124341|4.260662|3.280309|4.351572|0.129485|4.071302|5.163102|6.879435|11.264889|5.236265|14.302072|53.358707| |1.473874|2.634526|1.475546|1.606141|1.533733|9.612266|1.352520|9.805282|1.828426|3.410137|2.644635|2.271317|2.293264|0.068902|1.944527|1.802167|1.882108|1.642531|2.155324|0.040631|0.045455|1.608635|1.832295|2.369676|3.756662|3.796209|2.818063|3.526894|0.107205|3.259963|3.892615|4.670975|7.427785|4.055171|8.443627|19.749448|36.858105| |1.577226|2.792455|1.551369|1.686235|1.591862|9.930173|1.410355|10.210027|1.940074|3.639858|2.815663|2.453582|2.470253|0.075773|2.083046|1.907731|2.051850|1.774518|2.305246|0.043290|0.048839|1.698924|1.938502|2.477437|3.863331|3.936594|2.796096|3.377711|0.104568|2.979745|3.334798|3.832802|6.419588|3.851950|7.112777|10.922349|13.750370|36.858105| |1.765266|3.122506|1.737890|1.912826|1.792461|11.005764|1.563451|11.184553|2.246305|4.226868|3.307394|2.980317|3.000120|0.093857|2.446265|2.212288|2.396814|2.023051|2.603920|0.048368|0.055159|1.922704|2.235826|2.981123|4.519646|4.842485|3.314513|4.007602|0.125979|3.305749|3.529138|4.042001|7.414525|4.704064|8.439941|9.653440|8.184130|13.820810|36.858105| |1.825460|3.267748|1.842472|2.061264|1.946044|11.802084|1.656590|11.720477|2.441117|4.566859|3.638367|3.336570|3.374522|0.104020|2.662025|2.417090|2.520447|2.102591|2.718457|0.050197|0.057200|2.047480|2.427418|3.499440|5.234863|5.991349|4.177011|5.404137|0.168874|4.171056|4.392394|5.224393|11.236213|6.977213|14.287058|10.978267|7.077355|8.014746|14.438141|53.358707| |17.541503|16.418679|7.125582|6.293911|4.491265|27.282963|5.008364|32.557115|6.468782|10.983800|7.195559|4.319244|3.532965|0.090532|3.914030|4.614016|4.404670|4.250712|4.404981|0.084638|0.080961|3.032605|3.079153|2.874500|4.921069|3.406076|2.146819|1.945953|0.053223|1.701139|1.562502|1.612803|2.459980|2.020104|1.796223|2.191849|1.576872|1.699072|1.922731|2.710835|0.500000| |17.566047|16.450218|7.201524|5.270881|4.178652|29.149561|5.911041|43.323093|4.553646|7.596690|5.231103|3.175861|2.762894|0.071175|3.103467|3.654875|3.382989|3.541388|3.898566|0.078106|0.071238|2.701226|2.622702|2.369170|4.176091|2.840053|1.843362|1.678395|0.045795|1.498904|1.383312|1.419564|2.126878|1.726672|1.546079|1.912408|1.376588|1.467331|1.631227|2.292475|0.298221|0.500000| |17.663060|16.938271|5.919587|4.616318|3.565464|23.817523|4.595746|34.319745|4.496537|8.425454|5.019167|3.234042|2.712840|0.071287|2.881202|3.265864|3.166903|3.116454|3.439897|0.067690|0.064738|2.379108|2.396795|2.313778|3.983232|2.836057|1.836635|1.702312|0.046549|1.512200|1.410750|1.467831|2.219060|1.786370|1.629049|2.016336|1.460808|1.569294|1.747120|2.433715|0.300391|0.299290|0.500000| |3.598286|7.393467|5.677110|8.776828|17.787553|55.665702|5.450441|29.734150|6.653136|8.744213|8.675749|4.486739|3.987964|0.090560|4.341422|6.547289|3.518326|3.275733|4.115868|0.077916|0.074698|3.495073|3.769882|3.963184|8.164059|4.345373|2.896528|2.419514|0.062547|2.156615|1.878327|1.892663|2.803649|2.427375|1.916491|2.303433|1.585509|1.635541|1.846481|2.761141|0.105279|0.095941|0.084408|0.500000| |3.827316|6.632210|3.734554|4.588693|3.788126|20.439371|3.008891|19.563250|7.024425|12.879289|12.343594|17.590367|8.710060|0.223563|6.476116|6.117691|6.333952|4.338864|4.771673|0.083806|0.093746|3.500671|4.315746|5.611711|8.075422|6.570607|3.609414|3.204437|0.088208|2.563738|2.293806|2.393824|3.901657|3.410205|2.857825|3.275026|2.312678|2.551411|3.119549|4.606846|0.131240|0.092042|0.097993|0.104926|0.500000| |3.237107|6.033222|3.589258|4.646704|4.097407|21.372917|2.980665|19.104499|6.990702|12.475249|12.347137|17.620953|8.664366|0.191606|5.699443|5.945831|4.638667|3.478515|4.147277|0.073868|0.081267|3.263908|4.147105|7.423631|10.577169|8.588657|4.674806|3.963135|0.102942|3.081137|2.669818|2.812113|4.634560|4.354076|3.210897|3.579989|2.436638|2.602310|3.185585|5.016571|0.103841|0.079447|0.082458|0.120616|0.304288|0.500000| |3.338217|6.124586|4.130211|5.810426|6.395005|30.356242|3.696520|22.474645|6.205243|8.131840|12.296685|6.301411|6.718753|0.136755|8.826920|17.635495|5.519094|4.772725|6.104352|0.107537|0.108116|5.771261|7.164346|6.345935|13.677818|5.993020|3.665987|2.893502|0.076307|2.479317|2.107060|2.075518|3.131412|2.773415|2.158647|2.554023|1.760211|1.838396|2.115367|3.180973|0.105509|0.089112|0.079458|0.219859|0.135396|0.149284|0.500000| |4.406058|7.571901|5.078531|6.876158|6.456292|32.216161|4.330415|25.912436|6.954883|8.799608|12.387463|5.838634|5.677494|0.126506|8.618668|17.597693|7.093360|6.738023|7.355639|0.130406|0.122122|6.031543|6.224827|4.552889|8.420672|4.739148|2.894148|2.424652|0.065588|2.093667|1.836755|1.830919|2.772432|2.377712|1.963284|2.352660|1.652338|1.750644|2.004476|2.932256|0.147054|0.119713|0.099937|0.176377|0.141773|0.129092|0.301836|0.500000| |4.217284|6.553711|3.705918|4.317914|3.658016|20.619894|3.062972|20.233773|5.419403|8.534472|9.447683|6.966237|6.872246|0.184658|8.720895|7.026198|17.589643|9.013837|7.628435|0.127157|0.143435|4.886157|5.510175|4.466311|6.991563|5.031846|2.897896|2.546378|0.071785|2.131079|1.913264|1.930173|3.013824|2.539459|2.224089|2.648027|1.902299|2.088404|2.448056|3.478892|0.153801|0.107850|0.104342|0.098919|0.220491|0.139333|0.140822|0.191187|0.500000| |3.056198|4.917364|2.819021|3.240127|2.950016|17.193864|2.455298|16.722684|3.849419|6.229545|6.704378|5.489071|7.084573|0.227353|8.781349|5.485510|17.515475|8.922216|9.378101|0.144047|0.204778|5.674281|6.795293|4.736806|7.166477|5.494814|3.109691|2.728099|0.079318|2.268417|2.025904|1.999699|3.116332|2.614043|2.321114|2.764966|1.992994|2.197481|2.582269|3.651734|0.102514|0.080883|0.078126|0.083070|0.160279|0.118737|0.123352|0.141254|0.304244|0.500000| |4.023576|6.184500|3.701302|4.124242|3.802328|22.830253|3.290629|22.017165|4.236877|6.314736|6.726561|4.178055|4.423039|0.112936|6.591609|6.455215|8.724726|17.640453|12.452213|0.225301|0.181274|6.940895|5.691412|3.490760|6.097908|3.917697|2.415320|2.100735|0.058611|1.834046|1.642644|1.626656|2.452542|2.039964|1.781401|2.169116|1.552823|1.665456|1.887373|2.681503|0.134967|0.115808|0.095612|0.101734|0.114571|0.094485|0.142424|0.235049|0.213817|0.173212|0.500000| |3.422648|5.180536|2.938369|3.170434|2.893143|17.830168|2.616356|18.295640|3.415991|5.454227|5.348425|3.736539|4.073259|0.113868|5.422001|4.563325|8.772720|17.625453|12.361432|0.222432|0.224456|5.578095|4.888907|3.179925|5.313268|3.740480|2.295955|2.048626|0.058429|1.783556|1.619182|1.602569|2.428151|1.987036|1.798983|2.203548|1.599617|1.739475|1.969569|2.741788|0.113744|0.096355|0.086433|0.078258|0.108532|0.085649|0.105068|0.140577|0.212812|0.217294|0.301665|0.500000| |2.874641|4.863677|3.076735|3.605246|3.775523|22.665597|2.912888|19.422340|3.588178|5.289143|5.949515|3.751411|4.407051|0.107648|6.686302|6.514094|5.751334|6.964779|12.424714|0.223809|0.181105|17.622427|8.740153|3.962020|7.599469|4.294533|2.723484|2.272705|0.062684|2.014267|1.757832|1.696874|2.511919|2.119918|1.782529|2.167366|1.526149|1.604379|1.807580|2.624275|0.089752|0.081904|0.069821|0.111109|0.094251|0.089214|0.180907|0.200783|0.128979|0.132225|0.209269|0.143145|0.500000| |2.331914|3.947035|2.421457|2.769222|2.864003|17.671860|2.301500|15.882624|2.848848|4.396973|4.675598|3.230133|4.010863|0.104304|5.444443|4.560489|4.887651|5.580459|12.358966|0.222896|0.224099|17.627959|8.772423|3.779198|7.068950|4.288030|2.759947|2.317269|0.065154|2.071260|1.804983|1.709543|2.511929|2.100460|1.791575|2.190320|1.545603|1.622090|1.817794|2.628563|0.072054|0.065765|0.058418|0.084928|0.082488|0.078778|0.128430|0.126674|0.107674|0.127484|0.143207|0.126473|0.301297|0.500000| |2.421219|4.122200|2.485296|2.935753|2.914430|17.025062|2.267193|15.386271|3.293341|5.159724|5.829451|4.519670|6.863862|0.187136|8.808785|5.443178|6.821839|5.701386|9.446533|0.144777|0.207711|8.913944|17.494004|6.151815|10.099305|6.696119|3.879099|3.141319|0.090457|2.646361|2.257032|2.130875|3.228252|2.777105|2.311955|2.749977|1.928432|2.050012|2.370325|3.485858|0.076851|0.065579|0.061299|0.087427|0.112717|0.106988|0.145140|0.131030|0.139230|0.199346|0.131945|0.128589|0.173091|0.215600|0.500000| |2.505299|4.401148|2.759971|3.386736|3.552074|20.142297|2.554550|16.905088|3.682210|5.532708|6.642214|4.683217|6.617792|0.151461|8.792773|6.893679|5.518339|4.865940|7.620099|0.126896|0.144068|8.985659|17.651316|7.052250|14.698415|6.822452|4.148772|3.173566|0.086794|2.721241|2.267431|2.142059|3.199373|2.812443|2.221606|2.637635|1.820055|1.899006|2.179401|3.269407|0.078425|0.068102|0.062286|0.112371|0.108912|0.113876|0.219539|0.156657|0.123028|0.139248|0.127393|0.107553|0.212294|0.212682|0.304134|0.500000| |2.227805|3.977498|2.334525|2.776598|2.664059|15.286991|2.077453|14.120300|3.406183|5.902151|5.751850|5.814432|7.516458|0.236660|4.791460|3.961365|3.977954|3.066504|4.024203|0.071047|0.084328|3.205953|4.294242|9.417015|10.868549|26.048775|8.997419|7.550113|0.222905|4.735974|3.846902|3.770086|6.534461|6.643223|4.531675|4.740764|3.132498|3.332191|4.277128|7.342463|0.069589|0.057411|0.058288|0.080181|0.142616|0.172349|0.107356|0.090699|0.105329|0.117275|0.078178|0.077151|0.081432|0.081834|0.128315|0.119965|0.500000| |1.998668|3.716143|2.260555|2.717720|2.789937|16.136042|2.082427|14.095260|3.122512|5.285693|4.976971|4.196824|4.659453|0.117838|3.657608|3.522909|2.914415|2.452728|3.322510|0.060665|0.067245|2.798195|3.543272|7.160864|12.801843|12.477860|17.589720|8.800169|0.173941|6.686910|4.497368|4.196360|6.307608|6.911595|3.721693|4.115881|2.596031|2.553971|2.980181|5.043093|0.060368|0.052161|0.051815|0.088354|0.097901|0.133777|0.106643|0.081766|0.077523|0.079950|0.065856|0.061169|0.074738|0.073562|0.097767|0.111140|0.185257|0.500000| |1.847343|3.356260|2.024490|2.388620|2.446259|14.472227|1.879044|12.905005|2.700019|4.527675|4.369984|3.668744|4.496903|0.120589|3.665243|3.283693|2.954286|2.511735|3.530368|0.064141|0.073194|2.998593|3.849650|6.736656|11.574025|12.430393|17.569977|8.829082|0.209979|7.044252|4.577731|3.857459|5.637761|5.478290|3.532288|4.003436|2.569095|2.540995|2.936883|4.835864|0.056032|0.048813|0.048023|0.076355|0.088377|0.107908|0.098185|0.077405|0.075969|0.083651|0.065955|0.062811|0.077370|0.081092|0.112831|0.121528|0.190247|0.303368|0.500000| |1.590004|2.941224|1.750305|2.005480|2.045286|12.514747|1.641829|11.513857|2.228635|3.902346|3.349625|2.756592|2.944601|0.080039|2.476518|2.377126|2.134892|1.867442|2.553187|0.047741|0.052492|2.076004|2.461352|3.725246|6.510400|6.288617|6.969374|8.851066|0.174201|17.490466|8.834704|6.694166|7.799691|6.848938|4.173352|4.862692|2.900372|2.661165|2.932555|4.954007|0.047157|0.041799|0.042042|0.062538|0.069389|0.085298|0.069883|0.058256|0.057445|0.059930|0.050094|0.047996|0.055431|0.056168|0.069934|0.074319|0.117335|0.202097|0.178915|0.500000| |1.524989|2.775801|1.644493|1.873739|1.903819|11.711737|1.543634|10.885604|2.078042|3.605016|3.176714|2.627289|2.944663|0.082411|2.505663|2.317161|2.178928|1.913360|2.666437|0.049744|0.055709|2.165648|2.574978|3.693664|6.324205|6.363913|6.857376|8.791071|0.214550|17.536048|8.813022|5.485621|6.731824|5.519390|4.006585|4.773312|2.923634|2.709995|2.969634|4.893266|0.045481|0.040359|0.040346|0.057889|0.066843|0.078381|0.067589|0.057028|0.057608|0.062384|0.050599|0.049340|0.056710|0.059504|0.075521|0.077357|0.121294|0.163940|0.210914|0.303183|0.500000| |1.366338|2.500206|1.460925|1.629904|1.638907|10.282121|1.375474|9.853188|1.795869|3.196876|2.646742|2.172445|2.296190|0.064676|1.980520|1.879047|1.784287|1.585677|2.168459|0.040992|0.045116|1.714575|1.973615|2.683475|4.573886|4.396725|4.070366|5.486112|0.139823|8.816050|17.543584|8.840157|7.657021|4.941151|4.436274|5.847746|3.381116|2.892513|2.980472|4.829677|0.040276|0.036037|0.036620|0.048916|0.056874|0.065646|0.053939|0.047166|0.048334|0.050920|0.042310|0.041566|0.045564|0.046832|0.057009|0.057836|0.088858|0.108030|0.109805|0.216647|0.209983|0.500000| |1.430283|2.588128|1.501663|1.678254|1.665916|10.361661|1.400141|10.005825|1.877149|3.349595|2.805317|2.361240|2.545702|0.073848|2.155956|1.990424|1.960765|1.720512|2.349610|0.044087|0.049455|1.839336|2.142626|2.940077|4.820127|5.012569|4.483897|6.693205|0.199397|8.829424|17.522803|8.884801|9.405189|5.676461|5.898228|7.621585|4.291442|3.643398|3.789494|6.260708|0.042538|0.037628|0.038407|0.049462|0.062479|0.070726|0.056308|0.049730|0.052936|0.056963|0.045314|0.045269|0.048209|0.050109|0.063144|0.061855|0.106011|0.109873|0.119730|0.173629|0.216110|0.302918|0.500000| |1.520325|2.818453|1.638835|1.835030|1.821904|11.302795|1.526016|10.858189|2.056309|3.747304|2.978079|2.482010|2.495388|0.069497|2.097035|2.033918|1.887832|1.652699|2.203628|0.041505|0.045352|1.731407|2.006183|2.881958|4.836420|4.722796|4.204306|5.721319|0.133981|6.735695|8.822002|17.535985|12.557572|7.165991|5.862237|7.166591|3.869147|3.283730|3.474779|5.954900|0.044757|0.039580|0.040891|0.054112|0.065136|0.078041|0.057908|0.050736|0.052242|0.053257|0.044437|0.043267|0.046523|0.046357|0.056852|0.058361|0.096812|0.118634|0.102324|0.195449|0.138224|0.214838|0.173888|0.500000| |1.424412|2.605696|1.497387|1.656406|1.628045|10.186732|1.392399|10.006295|1.856350|3.396975|2.691896|2.258237|2.297629|0.065778|1.946366|1.851761|1.793805|1.576290|2.104913|0.039734|0.043776|1.628553|1.871465|2.566964|4.229044|4.206725|3.550139|4.883833|0.130205|5.482352|8.786546|17.712264|12.470179|5.697383|7.386706|11.123704|5.318355|4.058052|4.017434|6.649131|0.041997|0.037163|0.038602|0.047803|0.060655|0.069327|0.051975|0.046617|0.049626|0.051398|0.042021|0.041726|0.043387|0.043804|0.053854|0.053578|0.089761|0.094381|0.089249|0.137950|0.123141|0.209483|0.216249|0.302627|0.500000| |2.045762|3.751854|2.172582|2.523967|2.413384|14.163717|1.943404|13.393012|3.057133|5.638337|4.669674|4.421031|4.390838|0.125646|3.241190|3.022727|2.854554|2.333270|3.014870|0.055113|0.062135|2.357776|2.896702|5.072958|7.406725|9.539099|6.829645|8.711126|0.210247|5.506201|4.885585|5.700605|12.539428|17.710035|7.433945|6.683981|4.033961|4.072377|5.322911|11.156192|0.062244|0.052164|0.054526|0.071694|0.114565|0.149530|0.083135|0.072151|0.079934|0.081320|0.061603|0.060230|0.062359|0.061020|0.082484|0.082277|0.225168|0.173556|0.138788|0.140636|0.122759|0.108050|0.125737|0.147204|0.128021|0.500000| |1.866655|3.486489|2.050314|2.374133|2.341730|13.947936|1.872863|12.963612|2.762417|5.022459|4.104601|3.572389|3.535403|0.095956|2.791439|2.718039|2.421547|2.050398|2.695583|0.049947|0.055004|2.147803|2.582883|4.312483|6.992166|7.490172|6.800743|8.850968|0.174382|6.999624|5.927754|7.257290|12.588111|17.520286|5.856460|5.983836|3.482887|3.277542|3.840141|7.093226|0.055761|0.048041|0.049587|0.070636|0.090241|0.119581|0.077583|0.065633|0.067235|0.067545|0.055106|0.052757|0.057718|0.056359|0.072246|0.075737|0.149124|0.205098|0.141143|0.206891|0.141650|0.133221|0.134248|0.221135|0.147096|0.303278|0.500000| |1.365160|2.439771|1.365044|1.474773|1.413650|8.946169|1.259012|9.194656|1.659845|3.088341|2.383643|2.013269|2.031944|0.060572|1.754136|1.635889|1.705294|1.507277|1.986404|0.037683|0.041875|1.479831|1.666533|2.097281|3.372790|3.301497|2.472251|3.027042|0.090777|2.903427|3.501228|4.094483|5.988950|3.382709|5.920855|12.776650|17.697528|8.874684|5.729070|6.882920|0.040335|0.035568|0.037684|0.040504|0.056889|0.059566|0.044515|0.041981|0.047818|0.050003|0.039714|0.040930|0.039110|0.039696|0.048616|0.046045|0.074294|0.063947|0.063642|0.072718|0.073562|0.087701|0.107173|0.096656|0.134083|0.092166|0.083386|0.500000| |1.525821|2.683495|1.481072|1.594514|1.501152|9.437685|1.348759|9.835833|1.821977|3.420776|2.626811|2.261021|2.271501|0.069738|1.951929|1.788691|1.954141|1.707492|2.214979|0.041805|0.047044|1.615477|1.820801|2.241082|3.521682|3.479564|2.449950|2.864850|0.088060|2.566625|2.831986|3.167113|5.073572|3.180222|5.079961|7.748773|8.818203|17.774254|8.840191|7.740462|0.045542|0.039524|0.042423|0.042582|0.065993|0.065654|0.047669|0.046029|0.055412|0.058314|0.044485|0.046930|0.042395|0.042922|0.053498|0.049224|0.080939|0.062598|0.062742|0.064429|0.066036|0.069845|0.085660|0.077264|0.093239|0.093500|0.077122|0.210439|0.500000| 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