Version2.0 2020-01-21T03:27:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2c(c1)sc(n2)c3ccc(cc3)N4C(=O)C[C@H](C4=O)[NH2+][C@@H](C)C56CC7CC(C5)CC(C7)C6 C08414520 RHF 6-31G(d) (6D,7F) Cc1ccc2c(c1)sc(n2)c3ccc(cc3)N4C(=O)C[C@H](C4=O)[NH2+][C@@H](C)C56CC7CC(C5)CC(C7)C6 C01[X(C30H34N3O2S1)] 204 C1 612 Cc1ccc2c(c1)sc(n2)c1ccc(cc1)N1C(=O)C[C@H](C1=O)[NH2+][C@H](C12CC3CC(C2)CC(C1)C3)C Cc1ccc2c(c1)sc(n2)c1ccc(cc1)N1C(=O)C[C@H](C1=O)[NH2+][C@H](C12CC3CC(C2)CC(C1)C3)C C[C@H]([NH2+][C@@H]1CC(=O)N(C1=O)c2ccc(cc2)c3sc4cc(C)ccc4n3)C56CC7CC(CC(C7)C5)C6 InChIKey=IJJLZLDFCWWORM-LTKYSMKNSA-O InChI=1S/C30H33N3O2S/c1-17-3-8-24-26(9-17)36-28(32-24)22-4-6-23(7-5-22)33-27(34)13-25(29(33)35)31-18(2)30-14-19-10-20(15-30)12-21(11-19)16-30/h3-9,18-21,25,31H,10-16H2,1-2H3/p+1/t18-,19?,20?,21?,25+,30?/m0/s1 InChI=1/C30H33N3O2S/c1-17-3-8-24-26(9-17)36-28(32-24)22-4-6-23(7-5-22)33-27(34)13-25(29(33)35)31-18(2)30-14-19-10-20(15-30)12-21(11-19)16-30/h3-9,18-21,25,31H,10-16H2,1-2H3/p+1/t18-,19?,20?,21?,25+,30?/m0/s1/fC30H34N3O2S/h31H/q+1 Cc1ccc2c(c1)sc(n2)c3ccc(cc3)N4C(=O)C[C@H](C4=O)[NH2+][C@@H](C)C56CC7CC(C5)CC(C7)C6 C01[X(C30H34N3O2S1)] 204 C01 612 Cc1ccc2c(c1)sc(n2)c1ccc(cc1)N1C(=O)C[C@H](C1=O)[NH2+][C@H](C12CC3CC(C2)CC(C1)C3)C Cc1ccc2c(c1)sc(n2)c1ccc(cc1)N1C(=O)C[C@H](C1=O)[NH2][C@H]([C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C C[C@H]([NH2][C@@H]1CC(=O)N(C1=O)c2ccc(cc2)c3sc4cc(C)ccc4n3)C56CC7CC(CC(C7)C5)C6 InChIKey=GBENOVOMUHAPGG-LKZRKFOISA-N InChI=1S/C30H34N3O2S/c1-17-3-8-24-26(9-17)36-28(32-24)22-4-6-23(7-5-22)33-27(34)13-25(29(33)35)31-18(2)30-14-19-10-20(15-30)12-21(11-19)16-30/h3-9,18-21,25H,10-16,31H2,1-2H3/t18-,19-,20+,21-,25+,30-/m0/s1 InChI=1/C30H34N3O2S/c1-17-3-8-24-26(9-17)36-28(32-24)22-4-6-23(7-5-22)33-27(34)13-25(29(33)35)31-18(2)30-14-19-10-20(15-30)12-21(11-19)16-30/h3-9,18-21,25H,10-16,31H2,1-2H3/t18-,19-,20+,21-,25+,30-/m0/s1 3795.0026136308 -1866.3072615 1-A 35593.9734 133 479 612 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.03496 -20.70363 -20.68535 -15.85738 -15.75897 -15.63459 -11.52094 -11.50452 -11.47176 -11.44330 -11.40929 -11.38433 -11.38176 -11.37703 -11.37146 -11.34707 -11.34166 -11.34142 -11.33850 -11.33536 -11.33473 -11.33120 -11.32999 -11.32670 -11.32635 -11.32390 -11.32373 -11.32068 -11.31484 -11.31203 -11.30979 -11.29886 -11.29274 -11.29006 -11.28326 -11.27051 -9.04564 -6.72814 -6.72731 -6.72544 -1.57863 -1.55145 -1.49060 -1.42659 -1.35770 -1.29291 -1.27184 -1.23878 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0.4656 0.5081 0.8383 0.6462 0.6704 0.6552 0.8569 0.7712 0.3949 0.8029 0.7002 0.6993 0.3697 0.8006 0.6954 0.8477 0.6653 0.0198 0.4932 0.1498 0.3537 0.8004 0.1662 0.2090 0.2415 0.8536 0.5188 0.1844 0.7579 0.8435 0.6790 0.8398 0.1643 0.5465 0.7118 0.2385 0.6675 0.7936 0.8569 0.8078 0.8549 0.5102 0.8196 0.8013 0.7933 0.1970 0.8420 0.5208 0.8567 0.5722 0.5434 0.4727 0.6417 0.8481 0.8025 0.6832 0.8480 0.4908 0.8556 0.6683 0.6242 0.8384 0.7879 0.7813 0.8468 0.5560 0.6494 0.8413 0.5337 0.5422 0.3777 0.5266 0.4162 0.7958 0.8143 0.8297 0.7445 0.4152 0.4554 0.4526 0.7195 0.4343 0.8439 0.8198 0.5791 0.6911 0.8255 0.6464 0.5914 0.5108 0.6714 0.8345 0.8404 0.6591 0.8129 0.8548 0.8031 0.8235 0.7785 0.8571 0.2114 0.6790 0.5296 0.6426 0.5809 0.4319 0.6126 0.5423 0.5561 0.7250 0.8171 0.8571 0.8561 0.4702 0.8441 0.8571 0.5377 0.8439 0.5983 0.8504 0.1009 0.5375 0.5162 0.4147 0.4881 0.8103 0.5635 0.5164 0.5328 0.5280 0.6484 0.4416 0.5345 0.5618 0.5488 0.4391 0.1380 0.4733 0.2051 0.6445 0.7902 0.7203 0.1682 0.8543 0.8019 0.2979 0.4809 0.4395 0.8570 0.8397 0.7937 0.8564 0.8062 0.2258 0.6255 0.5828 0.4730 0.8103 0.5777 0.3902 0.2327 0.3192 0.0587 0.8562 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 61 62 63 64 65 66 67 68 69 70 6 6 6 6 6 6 6 16 6 7 6 6 6 6 6 6 7 6 8 6 6 1 6 8 7 1 1 6 1 6 6 6 6 6 6 6 6 6 6 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 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7273.5204 58561.4567 62943.1933 1.00000 0.00074 0.00008 -0.00074 0.99990 0.01407 -0.00007 -0.01407 0.99990 1 0.01191 0.00148 0.00138 0.24812 0.03082 0.02867 10.23 19.70 22.58 32.07 41.64 55.09 72.57 86.48 101.40 122.70 140.78 183.83 204.39 212.28 223.34 276.42 299.44 302.48 318.40 335.10 356.59 384.51 418.24 472.07 487.55 495.15 513.94 519.34 531.30 551.86 611.66 621.75 629.62 640.10 652.72 654.03 671.48 678.02 687.80 702.05 708.50 743.14 777.60 803.70 820.55 828.82 869.74 907.65 926.53 965.38 992.79 995.80 1007.05 1009.87 1011.61 1014.75 1078.22 1083.38 1088.33 1134.95 1154.22 1180.69 1187.43 1195.87 1250.01 1257.90 1271.20 1281.08 1337.80 1340.99 1354.02 1377.26 1381.13 1388.06 1391.86 1392.37 1401.93 1405.53 1421.11 1457.08 1462.38 1490.88 1512.23 1521.83 1538.35 1540.01 1557.53 1579.00 1582.36 1587.38 1603.56 1610.72 1623.06 1635.53 1642.89 1653.80 1673.99 1682.14 1688.87 1692.13 1710.41 1733.94 1738.15 1757.92 1776.32 1779.13 1780.00 1797.91 1809.49 1817.50 1840.54 1859.53 1874.55 1881.71 1893.27 1912.80 1920.55 1937.45 1950.99 1983.45 1992.86 1999.86 2020.20 2037.97 2055.54 2056.91 2093.78 2095.60 2102.02 2103.95 2116.12 2140.56 2141.17 2144.81 2149.95 2153.93 2177.50 2194.95 2197.88 2215.59 2221.20 2225.96 2236.74 2250.62 2257.74 2259.22 2265.73 2280.40 2287.06 2328.94 2336.74 2344.60 2348.86 2356.44 2357.69 2363.11 2366.27 2367.45 2374.71 2377.86 2403.28 2432.21 2510.84 2529.19 2566.15 2601.49 2607.40 2617.82 2889.42 3014.49 4529.18 4543.14 4598.75 4605.51 4610.80 4615.29 4615.58 4643.37 4650.38 4654.43 4656.68 4660.29 4663.33 4667.10 4668.47 4676.22 4682.70 4686.18 4694.23 4730.83 4733.98 4770.57 4780.24 4789.53 4804.77 4841.48 4859.96 4870.33 4879.65 4887.87 4894.18 4931.96 5296.65 5389.38 0.640210 0.668922 0.669866 0.575236 -1865.667052 -1865.638339 -1865.637395 -1865.732026 3.173939D-04 MUNgauss RevisionA2.0 retrievium 21-Jan-2020 DUDE Cc1ccc2c(c1)sc(n2)c3ccc(cc3)N4C(=O)C[C@H](C4=O)[NH2+][C@@H](C)C56CC7CC(C5)CC(C7)C6 C08414520 RHF 6-31G(d) (6D,10F) C1 500.237174 |X|Y|Z| 58.033022 31.796099 176.677560 68.824565 32 6 7 16 28 3 1 |36.858105| |12.610488|36.858105| |7.549033|13.537007|36.858105| |5.013750|7.839306|13.879645|36.858105| |4.431978|6.832716|7.996776|13.652979|36.858105| |5.033132|7.984641|6.955601|7.924488|13.722501|36.858105| |7.567264|13.804447|7.921766|6.786288|7.844725|13.692161|36.858105| |3.558129|4.684187|4.267114|4.889982|7.449139|10.923656|6.714390|388.023441| |3.080759|4.041997|4.169615|5.398227|8.667504|7.780627|4.965234|76.910226|36.858105| |3.355796|4.572602|5.167737|7.720062|13.774381|8.138916|5.229135|52.598715|14.999975|53.358707| |2.486168|3.075588|3.176646|3.916630|5.270017|4.874944|3.604362|47.670999|12.863479|10.745406|36.858105| |2.247840|2.733522|2.926767|3.645033|4.522200|3.913477|3.044853|32.951118|7.697088|9.135735|13.665022|36.858105| |1.936162|2.285163|2.415612|2.888654|3.408343|3.079508|2.514108|25.810442|5.080241|6.149160|7.912758|13.812695|36.858105| |1.826563|2.126023|2.189661|2.544203|3.009050|2.857833|2.371682|25.004846|4.484482|5.157427|6.883660|7.980373|13.757092|36.858105| |1.942787|2.268913|2.282260|2.623562|3.189703|3.161904|2.600384|29.744683|5.041618|5.378637|7.908153|6.869763|7.918300|13.804099|36.858105| |2.259684|2.708084|2.700848|3.154958|4.051435|4.091838|3.204676|42.687640|7.585801|7.067740|13.713453|7.937565|6.876070|7.985212|13.764685|36.858105| |1.605079|1.831887|1.882748|2.144112|2.455921|2.350930|2.012417|19.867443|3.349715|4.028482|4.528592|5.149545|7.819783|13.236537|7.809041|5.142752|53.358707| |1.500965|1.698093|1.750266|1.978299|2.226261|2.125640|1.845130|17.528568|2.905863|3.587746|3.729184|4.268173|6.003922|7.629430|5.449174|4.050480|18.544820|36.858105| |1.532178|1.736884|1.799389|2.040694|2.288237|2.167871|1.879888|17.684379|2.956994|3.693630|3.743599|4.356368|5.898824|6.593476|4.928845|3.914191|11.300234|16.195907|73.516695| |1.349331|1.506120|1.544311|1.719334|1.906310|1.838483|1.625407|14.954258|2.395454|2.994119|2.939115|3.244147|4.197797|5.080759|4.124856|3.207594|10.981577|12.504118|14.026033|36.858105| |1.351351|1.508216|1.544417|1.718403|1.907640|1.843280|1.629649|15.028835|2.401932|2.994708|2.949625|3.228517|4.160414|5.116837|4.205182|3.248042|11.126048|7.992353|9.625369|12.488706|36.858105| |1.323879|1.476058|1.522966|1.697539|1.866164|1.784467|1.581480|14.306429|2.307942|2.927739|2.797785|3.132675|4.015239|4.581877|3.705541|2.978527|9.052754|6.542560|8.590865|8.816467|17.649249|0.500000| |1.503065|1.697381|1.733945|1.948802|2.207392|2.137003|1.857792|17.895202|2.909637|3.533774|3.740516|4.060282|5.462812|7.705822|6.059777|4.287008|19.006926|8.271715|9.884078|7.922910|12.468397|0.248886|36.858105| |1.526719|1.721768|1.746863|1.953528|2.220738|2.173303|1.893866|18.341642|2.925636|3.524353|3.704156|3.848983|4.824388|6.519105|5.914975|4.339479|11.270231|5.526994|7.478455|5.407269|7.928022|0.184923|16.052891|73.516695| |1.262715|1.395281|1.415735|1.554811|1.717079|1.682829|1.507441|13.692446|2.120166|2.642996|2.529490|2.665505|3.235044|3.909089|3.530343|2.822397|7.283491|5.179463|7.059439|7.451224|12.760725|0.253042|7.687187|11.994165|53.358707| |1.198942|1.318292|1.337418|1.462163|1.604231|1.573131|1.418224|12.692276|1.952288|2.451281|2.298244|2.421974|2.900070|3.417037|3.106810|2.537259|6.183203|4.770581|6.768157|7.281252|9.247321|0.205772|5.764106|8.923711|25.712635|0.500000| |1.293003|1.428775|1.439167|1.576161|1.753104|1.736200|1.554853|14.316454|2.186831|2.691439|2.614861|2.688631|3.220118|4.016350|3.800862|2.998160|7.281402|4.974052|6.859938|6.530597|9.292439|0.183312|7.612460|12.813406|25.713758|0.328393|0.500000| |1.214802|1.335789|1.356355|1.482578|1.624043|1.590742|1.435129|12.783023|1.966354|2.477320|2.299408|2.414372|2.849198|3.296876|3.031176|2.521926|5.641743|3.849309|5.554567|4.852858|7.368015|0.201351|5.748607|10.526580|16.816035|0.253667|0.254193|36.858105| |1.280734|1.415242|1.440119|1.581935|1.739893|1.698527|1.523487|13.692360|2.125284|2.671574|2.504607|2.638773|3.128569|3.622681|3.307744|2.744012|6.110124|3.918130|5.621002|4.611834|7.252203|0.207772|6.550043|13.233432|12.440149|0.182367|0.213392|17.649889|0.500000| |1.141202|1.249847|1.277580|1.394459|1.509068|1.465484|1.329331|11.565560|1.788645|2.291715|2.063144|2.203613|2.584379|2.861939|2.580357|2.201066|4.810086|3.469950|5.173640|4.414911|5.999659|0.191012|4.472038|7.700021|10.486865|0.207627|0.159477|12.479564|0.245677|36.858105| |1.165674|1.272225|1.280102|1.385122|1.515362|1.503560|1.369596|12.097153|1.815340|2.279485|2.084862|2.131363|2.436568|2.814440|2.717686|2.311596|4.561581|3.118804|4.665775|3.749207|4.924491|0.128236|4.350944|8.415570|10.269519|0.185292|0.210427|12.266437|0.245622|7.270306|36.858105| |1.113302|1.208573|1.217577|1.311050|1.421741|1.408524|1.292516|11.176424|1.669876|2.120221|1.884480|1.927346|2.161527|2.419133|2.340970|2.051407|3.774112|2.578056|3.959587|2.977711|3.757666|0.104259|3.452687|6.760553|6.684011|0.125740|0.132125|7.581749|0.189461|6.283247|12.301351|36.858105| |1.066031|1.149250|1.149987|1.227908|1.328425|1.328051|1.229339|10.516448|1.543578|1.959112|1.717131|1.729330|1.902729|2.120381|2.101759|1.874657|3.221281|2.214302|3.468530|2.500664|2.994204|0.081396|2.840309|5.555302|5.122609|0.099574|0.106592|4.899036|0.126481|4.246515|7.506732|12.396327|36.858105| |1.010033|1.085167|1.084496|1.154614|1.246164|1.247809|1.159141|9.861382|1.441641|1.832030|1.599237|1.610771|1.772035|1.974218|1.956850|1.745535|3.017106|2.129843|3.366545|2.442681|2.822789|0.075797|2.605203|4.921168|4.884944|0.100147|0.101955|4.338907|0.105983|3.940716|6.422185|7.613292|12.407566|36.858105| |1.047898|1.129586|1.126861|1.202876|1.306257|1.311181|1.212780|10.466563|1.530144|1.929253|1.713654|1.721044|1.910123|2.167266|2.157570|1.894823|3.367225|2.398349|3.758759|2.807434|3.216400|0.083333|2.923760|5.447591|5.846117|0.122891|0.127075|4.838499|0.113046|4.134620|7.524942|6.486560|7.599145|12.407834|36.858105| |1.092758|1.185844|1.190317|1.280819|1.394787|1.388551|1.273393|11.117464|1.653074|2.082734|1.880116|1.916179|2.172771|2.489924|2.419180|2.078151|4.015985|2.883455|4.410563|3.542723|4.228972|0.108447|3.606343|6.568722|8.595552|0.187013|0.179018|7.355624|0.151350|5.933618|12.319401|7.589312|6.460677|7.586214|12.367102|36.858105| |1.102253|1.188715|1.177519|1.254397|1.371455|1.389841|1.285578|11.218608|1.619064|2.021086|1.812209|1.788706|1.968078|2.263332|2.316636|2.037483|3.454001|2.406373|3.773833|2.731726|3.115513|0.078908|2.990097|5.729700|5.495430|0.110159|0.127740|4.319425|0.107446|3.489496|6.419442|5.377014|6.486813|7.595429|12.410384|7.579152|36.858105| |1.175690|1.273874|1.262188|1.349428|1.482693|1.502514|1.382657|12.203963|1.766469|2.194482|1.987948|1.954165|2.150519|2.489519|2.565824|2.249526|3.767094|2.528253|3.916437|2.811464|3.348164|0.085247|3.358616|6.800116|5.835105|0.109318|0.137009|4.869142|0.128931|3.697115|7.498075|6.483234|7.624036|6.487247|7.599015|6.453947|12.409772|36.858105| |1.123068|1.211281|1.203576|1.282393|1.396595|1.409379|1.304853|11.274375|1.634144|2.054540|1.815214|1.796948|1.958696|2.208320|2.246070|2.011036|3.294055|2.218788|3.477853|2.444530|2.909280|0.077189|2.897895|5.848311|4.875215|0.092321|0.106814|4.356092|0.118618|3.552918|6.392487|7.583192|12.425552|7.587345|6.468050|5.348725|7.585002|12.421501|36.858105| |1.240639|1.356853|1.353911|1.462986|1.616933|1.623161|1.475291|13.280430|1.964869|2.430015|2.263525|2.256384|2.549611|3.020315|3.046009|2.578390|4.754621|3.117656|4.670802|3.549645|4.543743|0.112793|4.542478|9.511324|8.564213|0.147274|0.210842|7.479790|0.198438|4.820089|12.290545|7.615827|6.499553|5.380257|6.481012|7.570318|7.601586|12.393324|7.601918|36.858105| |17.549585|8.849647|6.729367|4.607506|3.979734|4.318097|5.893337|22.566278|2.827740|4.215098|2.320989|2.125338|1.844342|1.737730|1.835404|2.113248|2.091529|1.434720|2.591258|1.297280|1.306846|0.035723|1.449589|2.627501|1.666287|0.032274|0.034735|1.185668|0.034782|1.116952|1.138713|1.093837|1.048316|0.990818|1.023095|1.065323|1.074154|1.148087|1.103141|1.209268|0.500000| |17.586848|8.833874|5.556666|4.155716|3.954321|4.750424|7.260251|25.286302|2.949642|4.215116|2.408674|2.150798|1.869254|1.788456|1.923815|2.236344|2.145872|1.472955|2.664462|1.329318|1.332315|0.036101|1.482468|2.686633|1.704538|0.033044|0.035775|1.204367|0.035208|1.127118|1.162498|1.109444|1.067226|1.012421|1.051603|1.091979|1.111100|1.184220|1.129224|1.243320|0.301752|0.500000| |17.550135|8.850060|6.731579|4.608504|3.980191|4.318022|5.892520|22.567524|2.827863|4.215499|2.321216|2.129335|1.846884|1.737947|1.833434|2.109886|2.091782|1.450941|2.649813|1.305694|1.299091|0.035383|1.434480|2.572841|1.651000|0.032121|0.034427|1.164059|0.033955|1.098446|1.115701|1.064751|1.019355|0.969755|1.007017|1.050784|1.055678|1.120108|1.069595|1.181716|0.302258|0.301765|0.500000| |7.057968|8.885798|17.708733|8.993914|5.672228|4.994112|5.650145|24.459059|3.428672|5.667080|2.742006|2.594578|2.187738|1.984042|2.042686|2.363846|2.356721|1.623328|2.969792|1.443958|1.443176|0.039723|1.603405|2.865332|1.805995|0.034947|0.037324|1.276513|0.037550|1.210575|1.205601|1.152139|1.089627|1.029367|1.065913|1.124294|1.109173|1.185183|1.135616|1.267530|0.192476|0.141048|0.192588|0.500000| |4.085709|5.588089|8.904168|17.736366|8.894772|5.641865|4.908303|28.860731|4.806772|9.484202|3.727347|3.674139|2.931127|2.525623|2.535954|2.976045|2.919111|1.992023|3.668297|1.730460|1.727199|0.047788|1.945126|3.442198|2.113948|0.040628|0.043419|1.483719|0.043993|1.406515|1.376664|1.305975|1.217379|1.144649|1.189869|1.272299|1.232690|1.324395|1.262909|1.441584|0.108353|0.095626|0.108382|0.215100|0.500000| |6.978315|8.915766|5.625362|4.907446|5.602848|8.867045|17.725048|44.081698|4.291900|5.776184|3.283525|2.756700|2.330735|2.248256|2.499724|3.051318|2.623093|1.769433|3.190776|1.571585|1.577165|0.042311|1.793477|3.266124|2.004467|0.038546|0.042419|1.402836|0.041237|1.294746|1.350213|1.274249|1.219947|1.152566|1.207055|1.259648|1.286480|1.381481|1.301626|1.462710|0.151930|0.221864|0.151896|0.124002|0.106775|0.500000| |2.338315|2.869446|3.183117|4.105866|4.942023|3.985868|3.110071|30.716069|7.178370|10.367624|8.934024|17.773743|8.934109|5.664350|4.954766|5.656793|5.678887|3.660797|6.785313|2.879280|2.853794|0.078627|3.427485|5.796157|3.246380|0.060906|0.066091|2.195296|0.066311|2.044321|1.944095|1.783204|1.605653|1.498684|1.587530|1.758731|1.637451|1.779006|1.656494|2.031609|0.061636|0.061181|0.061855|0.078771|0.119790|0.076589|0.500000| |1.808329|2.110968|2.257563|2.683403|3.052476|2.725200|2.274536|21.840651|4.135727|5.335614|5.633830|8.935263|17.738814|8.908390|5.640359|4.955292|9.783550|6.185205|11.061654|4.371883|4.274792|0.119870|5.217088|7.918765|4.411078|0.081550|0.086986|2.871071|0.087123|2.681507|2.407670|2.150427|1.875346|1.751476|1.877754|2.154482|1.902980|2.063862|1.899300|2.450812|0.048155|0.048269|0.048261|0.057655|0.077257|0.058522|0.214966|0.500000| |1.818792|2.089490|2.073833|2.332617|2.786372|2.829963|2.391965|26.383742|4.102099|4.496575|5.635076|4.952272|5.636778|8.916470|17.742413|8.922772|9.741797|5.210289|8.108176|4.221598|4.357410|0.102854|6.242345|11.269328|5.212984|0.093071|0.119726|3.228825|0.096682|2.672927|2.962393|2.497970|2.259217|2.111040|2.365990|2.644976|2.592139|2.878528|2.451230|3.433393|0.047817|0.050504|0.047731|0.051911|0.062361|0.065032|0.107587|0.124065|0.500000| |2.353338|2.805255|2.712428|3.086501|3.982615|4.309362|3.415114|49.371149|6.943988|6.471895|8.876624|5.635042|4.955593|5.683380|8.984609|17.740797|5.689179|3.431696|5.905971|2.842077|2.886528|0.073389|3.688459|6.817433|3.539416|0.065451|0.077728|2.349960|0.070458|2.045505|2.209032|1.971688|1.831505|1.709466|1.855239|2.001565|2.022208|2.231225|1.990180|2.502438|0.060758|0.065712|0.060562|0.065550|0.079012|0.092794|0.124094|0.107598|0.217057|0.500000| |1.286598|1.429917|1.474053|1.637358|1.793425|1.718027|1.529012|13.722617|2.198735|2.797680|2.640903|2.952053|3.734791|4.197825|3.438859|2.797478|8.085435|8.831115|12.562912|17.632919|8.633838|0.219969|5.753727|7.643022|8.214239|0.177802|0.142154|4.355008|0.113285|4.336717|3.388704|2.781968|2.343029|2.313123|2.618479|3.282297|2.489810|2.525884|2.247761|3.103675|0.034434|0.035108|0.034733|0.038528|0.046098|0.040972|0.074757|0.112300|0.095706|0.069348|0.500000| |1.318526|1.464446|1.489094|1.644512|1.825472|1.782824|1.586180|14.589336|2.284403|2.834744|2.767061|2.953718|3.670279|4.504707|3.937582|3.084519|8.839640|8.986197|11.973297|17.532927|8.720085|0.174406|6.461152|8.600294|9.707235|0.209999|0.192102|4.544480|0.116060|4.031172|3.752335|2.922554|2.511201|2.506837|2.963577|3.719238|2.911414|2.915628|2.476879|3.623888|0.035124|0.036266|0.035481|0.038658|0.045654|0.042913|0.072806|0.102474|0.116902|0.077658|0.301019|0.500000| |1.085439|1.183466|1.206908|1.311010|1.414112|1.378112|1.256704|10.844311|1.662724|2.133660|1.902388|2.019053|2.344402|2.589804|2.363225|2.030745|4.312490|3.220355|4.898036|4.170575|5.154537|0.154036|3.845638|6.519552|9.236219|0.213309|0.146781|8.732800|0.172556|17.579880|6.646884|5.708073|4.141761|4.142942|4.442318|6.580076|3.557129|3.557212|3.394424|4.407349|0.029480|0.029829|0.029108|0.031835|0.036693|0.034097|0.052240|0.067419|0.068433|0.052828|0.116965|0.110171|0.500000| |1.114515|1.216883|1.244707|1.354415|1.458054|1.415317|1.289445|11.084270|1.707565|2.201487|1.946893|2.072505|2.389615|2.598702|2.368860|2.059147|4.209856|2.982064|4.544229|3.587859|4.673649|0.148876|3.827458|6.863429|7.588300|0.147345|0.126824|8.875620|0.214389|17.642154|6.524880|6.933448|4.525572|4.017414|3.919216|5.189418|3.306414|3.574476|3.644374|4.461733|0.030422|0.030562|0.029765|0.032854|0.037993|0.034890|0.053883|0.068814|0.067686|0.053462|0.098324|0.091673|0.302230|0.500000| |1.167813|1.283841|1.320745|1.449987|1.566794|1.508006|1.361790|11.852921|1.859835|2.396486|2.158900|2.352132|2.803556|3.055530|2.672202|2.272963|5.225059|3.849196|5.711933|4.948438|6.728437|0.248342|4.759873|7.784023|9.728508|0.191949|0.145446|8.744563|0.210057|17.573796|5.360566|4.714111|3.444812|3.220978|3.391720|4.580315|2.976043|3.150043|3.009508|4.032078|0.031732|0.031914|0.031275|0.034785|0.040854|0.036649|0.060866|0.082691|0.075422|0.057923|0.140680|0.118612|0.301486|0.305375|0.500000| |1.155957|1.258113|1.270024|1.370874|1.487570|1.469747|1.345330|11.650185|1.748930|2.223358|1.974332|2.022578|2.262555|2.515425|2.429017|2.139304|3.872145|2.583264|3.963087|2.907602|3.730507|0.105696|3.570010|7.228317|6.248201|0.113090|0.123120|7.048204|0.207711|5.819146|8.766079|17.510493|8.791168|5.514500|4.844825|5.501922|4.444906|5.714870|6.899646|6.925117|0.031628|0.031946|0.030617|0.033356|0.037966|0.036753|0.052017|0.062462|0.071289|0.056937|0.075157|0.077710|0.136844|0.187567|0.128330|0.500000| |1.065554|1.154423|1.167668|1.256785|1.354399|1.334875|1.227740|10.496413|1.575688|2.017138|1.770714|1.829303|2.053400|2.263345|2.159655|1.903313|3.542846|2.474943|3.833988|2.891167|3.581256|0.102443|3.176248|5.999081|6.217249|0.122342|0.117330|6.905174|0.165570|7.087810|8.749077|17.564909|8.878170|6.998692|5.751183|6.919204|4.462096|4.856287|5.527629|5.509058|0.029113|0.029427|0.028395|0.030807|0.034929|0.033542|0.047410|0.057491|0.063218|0.050587|0.076969|0.078222|0.187399|0.241030|0.142448|0.302606|0.500000| |1.031654|1.108491|1.110565|1.182463|1.272113|1.269701|1.180384|9.966412|1.461203|1.867220|1.611055|1.625380|1.773504|1.947156|1.925561|1.740151|2.919426|2.010872|3.182479|2.240840|2.649853|0.073387|2.532333|4.931246|4.353237|0.085045|0.089058|4.095208|0.109208|3.776138|5.492370|8.888204|17.557095|8.823400|5.517736|4.855417|4.853468|5.527019|8.825347|4.873663|0.028276|0.028666|0.027405|0.029322|0.032620|0.032523|0.042244|0.048759|0.056828|0.047272|0.059016|0.061942|0.101985|0.116243|0.087246|0.214385|0.216627|0.500000| |0.978061|1.046200|1.042008|1.103965|1.188852|1.195577|1.116671|9.421216|1.364890|1.736523|1.500901|1.501518|1.634621|1.811316|1.813286|1.636172|2.725775|1.925645|3.078337|2.171245|2.458042|0.065914|2.311646|4.369016|4.115830|0.084351|0.086875|3.506222|0.088375|3.218404|4.811740|5.517096|8.802985|17.545547|8.817824|5.508554|6.926416|5.733390|6.917060|4.454337|0.026673|0.027298|0.026090|0.027507|0.030335|0.030949|0.038927|0.044720|0.054318|0.044861|0.057254|0.062165|0.093379|0.091290|0.075599|0.123205|0.142634|0.212132|0.500000| |0.973457|1.044865|1.048152|1.116318|1.199290|1.195011|1.111103|9.379118|1.378783|1.763074|1.526834|1.551032|1.709628|1.885331|1.845893|1.650410|2.892780|2.069646|3.287321|2.393354|2.743113|0.075000|2.477454|4.596399|4.688740|0.098363|0.094600|4.189496|0.100929|4.108160|5.686914|6.930642|8.787595|17.521296|8.787645|6.910646|5.506237|4.847003|5.504171|4.450081|0.026552|0.027041|0.026023|0.027714|0.030856|0.030608|0.040315|0.047379|0.054737|0.044653|0.064059|0.067737|0.124593|0.118649|0.092730|0.141564|0.210073|0.213171|0.303455|0.500000| |1.004032|1.078809|1.075568|1.144866|1.239267|1.244804|1.155677|9.894705|1.441813|1.823459|1.606038|1.613390|1.783324|2.009710|2.000095|1.767911|3.109372|2.258604|3.587409|2.645694|2.921639|0.075788|2.633965|4.802364|5.149353|0.112340|0.110707|4.030556|0.094949|3.638393|5.498780|4.865780|5.516832|8.820505|17.555107|8.871132|8.819302|5.516396|4.846862|4.860462|0.027204|0.028006|0.026881|0.028317|0.031468|0.031989|0.041512|0.048837|0.060705|0.048188|0.069505|0.078624|0.112123|0.095195|0.085252|0.106857|0.128731|0.123465|0.212818|0.212809|0.500000| |1.047434|1.134531|1.143484|1.230041|1.331124|1.317987|1.211378|10.450658|1.562025|1.985085|1.768042|1.820779|2.064903|2.324227|2.223460|1.926161|3.749163|2.751457|4.254111|3.418993|3.998096|0.106649|3.300672|5.864810|7.719191|0.178798|0.147582|6.731094|0.137893|6.591717|8.726861|6.877453|5.700264|6.931179|8.828091|17.538837|5.514468|4.832459|4.430455|5.483121|0.028408|0.029003|0.028052|0.030112|0.034089|0.033199|0.046831|0.057644|0.066371|0.051276|0.091202|0.098144|0.233174|0.160423|0.137774|0.140662|0.205985|0.127913|0.141800|0.207763|0.215598|0.500000| |1.116237|1.213661|1.216665|1.311081|1.433397|1.429476|1.307471|11.520022|1.712809|2.146456|1.960942|1.994592|2.276348|2.646992|2.578166|2.187245|4.336320|3.175730|4.832459|4.002385|4.604271|0.112531|3.853472|6.803172|9.643382|0.226840|0.214400|6.653951|0.139755|5.300156|8.696189|5.480050|4.834317|5.521017|8.859608|17.453294|6.953211|5.704218|4.432470|6.853217|0.030113|0.031009|0.029859|0.031853|0.036119|0.035950|0.050543|0.062427|0.079288|0.058469|0.101254|0.122227|0.163532|0.123262|0.121281|0.122428|0.140554|0.106702|0.123636|0.141526|0.216470|0.302337|0.500000| |1.062547|1.139677|1.125132|1.191720|1.298064|1.320976|1.230386|10.604702|1.515242|1.897803|1.675884|1.645023|1.787362|2.030808|2.093607|1.873648|3.040787|2.126347|3.385919|2.370217|2.647352|0.067961|2.572640|4.915399|4.467544|0.090174|0.101515|3.495545|0.089226|2.954469|4.809947|4.450996|5.729536|6.922200|8.815174|5.505059|17.547721|8.806728|6.912546|5.513170|0.028801|0.029828|0.028278|0.029498|0.032474|0.034331|0.042078|0.047978|0.064623|0.052105|0.060703|0.069913|0.083907|0.079340|0.071296|0.105857|0.106350|0.127805|0.207690|0.141408|0.212740|0.123436|0.142178|0.500000| |1.128145|1.218720|1.204789|1.284658|1.410415|1.433523|1.323061|11.657470|1.678175|2.082514|1.887765|1.854650|2.046546|2.382922|2.460514|2.144843|3.654901|2.568559|4.027760|2.923697|3.255214|0.080391|3.129979|5.896484|5.733832|0.116473|0.138839|4.158645|0.103105|3.339032|5.681734|4.446671|4.845629|5.504288|8.783884|6.898300|17.506321|8.784554|5.501421|6.910030|0.030419|0.031630|0.030048|0.031451|0.034993|0.036831|0.046898|0.054658|0.077660|0.059291|0.073156|0.088912|0.095076|0.085536|0.080831|0.105796|0.106025|0.106693|0.141431|0.122994|0.212679|0.141386|0.208508|0.303613|0.500000| |1.220584|1.321955|1.301340|1.387335|1.531683|1.566290|1.443318|12.828649|1.831266|2.258113|2.051438|1.983583|2.156366|2.507604|2.653808|2.349382|3.703461|2.455570|3.834858|2.654900|3.099329|0.078376|3.237777|6.646141|5.144609|0.095868|0.122611|4.065873|0.111956|3.154974|5.487184|4.863637|5.527338|4.853503|5.516566|4.850235|8.819105|17.556416|8.824238|8.882325|0.033067|0.034291|0.032207|0.033837|0.037603|0.040270|0.049968|0.056758|0.083778|0.065737|0.065848|0.076772|0.083861|0.084702|0.077147|0.128028|0.107020|0.123551|0.127873|0.106715|0.123428|0.106669|0.127974|0.212167|0.213010|0.500000| |1.167272|1.261394|1.253975|1.337709|1.458458|1.470972|1.359757|11.765924|1.707484|2.146781|1.893915|1.870908|2.029186|2.277119|2.322064|2.093232|3.350723|2.216534|3.472575|2.397854|2.885201|0.077404|2.957376|6.127215|4.677957|0.086598|0.101585|4.219648|0.121908|3.438906|5.657617|6.894822|8.794378|5.503312|4.837838|4.429033|5.503674|8.797569|17.526793|6.918978|0.031929|0.032577|0.030773|0.032830|0.036578|0.037631|0.047916|0.054483|0.069878|0.057542|0.061099|0.066482|0.088514|0.099720|0.082400|0.206225|0.141450|0.212949|0.141305|0.123034|0.106609|0.105427|0.105436|0.141280|0.123024|0.213130|0.500000| |1.081524|1.159911|1.148235|1.216107|1.319739|1.338065|1.247600|10.653098|1.527855|1.925967|1.678364|1.651582|1.780242|1.990174|2.040309|1.852760|2.928192|1.991548|3.163885|2.172302|2.515198|0.066833|2.512252|4.991097|4.109257|0.079427|0.089855|3.515019|0.095432|2.993089|4.797960|5.505206|8.808816|6.913899|5.717923|4.434416|6.912736|8.812123|17.543849|5.513411|0.029537|0.030291|0.028631|0.030153|0.033200|0.034711|0.042504|0.047901|0.061705|0.051384|0.055932|0.061552|0.081033|0.085262|0.071895|0.141108|0.123681|0.212227|0.207292|0.141328|0.127750|0.105726|0.105816|0.207150|0.141284|0.212321|0.303310|0.500000| |1.281688|1.406432|1.399945|1.516221|1.687771|1.700472|1.538221|14.091304|2.082407|2.548366|2.427844|2.402744|2.737941|3.341031|3.421351|2.824390|5.347660|3.502674|5.185885|4.002649|5.017750|0.117239|5.116244|10.462386|9.549392|0.162620|0.277979|6.719437|0.175192|4.428250|8.655115|5.483448|4.851814|4.449058|5.719965|6.837582|6.986789|8.916984|5.540519|17.458667|0.034528|0.035730|0.033942|0.036272|0.041375|0.042419|0.059397|0.072250|0.110836|0.076201|0.094178|0.117491|0.114893|0.109296|0.107236|0.140681|0.122220|0.106975|0.106204|0.105682|0.128068|0.139627|0.203186|0.142666|0.209467|0.218512|0.142044|0.123974|0.500000| 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