Version2.0 2020-01-31T16:33:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2c3ccccc3)CNc4ccccc4OC)C C20831300 RHF 6-31G(d) (6D,7F) CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2c3ccccc3)CNc4ccccc4OC)C C01[X(C27H37N6O2S1)] 213 C1 618 COc1ccccc1NCc1nnc(n1c1ccccc1)SCC(=O)NC1CC(C)(C)[NH2+]C(C1)(C)C COc1ccccc1NCc1nnc(n1c1ccccc1)SCC(=O)NC1CC(C)(C)[NH2+]C(C1)(C)C COc1ccccc1NCc2nnc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n2c4ccccc4 InChIKey=CGBMEAUAILUKSL-UHFFFAOYSA-O InChI=1S/C27H36N6O2S/c1-26(2)15-19(16-27(3,4)32-26)29-24(34)18-36-25-31-30-23(33(25)20-11-7-6-8-12-20)17-28-21-13-9-10-14-22(21)35-5/h6-14,19,28,32H,15-18H2,1-5H3,(H,29,34)/p+1 InChI=1/C27H36N6O2S/c1-26(2)15-19(16-27(3,4)32-26)29-24(34)18-36-25-31-30-23(33(25)20-11-7-6-8-12-20)17-28-21-13-9-10-14-22(21)35-5/h6-14,19,28,32H,15-18H2,1-5H3,(H,29,34)/p+1/fC27H37N6O2S/h29,32H/q+1 CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2c3ccccc3)CNc4ccccc4OC)C C01[X(C27H37N6O2S1)] 213 C01 618 COc1ccccc1NCc1nnc(n1c1ccccc1)SCC(=O)NC1CC(C)(C)[NH2+]C(C1)(C)C COc1ccccc1NCC1=NN[C@@H](N1c1ccccc1)SCC(=O)NC1CC(C)(C)[NH2]C(C1)(C)C COc1ccccc1NCC2=NN[C@H](SCC(=O)NC3CC(C)(C)[NH2]C(C)(C)C3)N2c4ccccc4 InChIKey=CMDWGWREGJHYSC-VWLOTQADSA-N InChI=1S/C27H39N6O2S/c1-26(2)15-19(16-27(3,4)32-26)29-24(34)18-36-25-31-30-23(33(25)20-11-7-6-8-12-20)17-28-21-13-9-10-14-22(21)35-5/h6-14,19,25,28,31H,15-18,32H2,1-5H3,(H,29,34)/t25-/m0/s1 InChI=1/C27H39N6O2S/c1-26(2)15-19(16-27(3,4)32-26)29-24(34)18-36-25-31-30-23(33(25)20-11-7-6-8-12-20)17-28-21-13-9-10-14-22(21)35-5/h6-14,19,25,28,31H,15-18,32H2,1-5H3,(H,29,34)/t25-/m0/s1/f/h29H 3866.4693669137 -1917.7077256 1-A 36621.5202 136 482 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.03241 -20.63457 -20.62999 -15.84246 -15.69879 -15.69197 -15.62839 -15.62620 -15.60896 -11.46097 -11.45778 -11.45521 -11.40623 -11.38514 -11.38211 -11.37658 -11.37209 -11.37204 -11.36846 -11.36638 -11.35457 -11.35142 -11.34258 -11.32982 -11.32184 -11.32078 -11.30959 -11.30139 -11.29668 -11.29539 -11.29412 -11.29223 -11.26571 -11.26359 -11.26115 -11.25956 -9.04187 -6.72465 -6.72328 -6.72101 -1.50514 -1.48104 -1.47012 -1.45758 -1.35816 -1.30331 -1.28775 -1.26965 -1.23843 -1.20946 -1.19858 -1.17517 -1.16573 -1.12885 -1.11068 -1.09623 -1.09166 -1.08292 -1.08051 -1.06361 -1.05160 -1.02812 -0.99532 -0.98183 -0.97843 -0.96665 -0.93092 -0.92096 -0.91710 -0.90449 -0.89758 -0.86984 -0.85152 -0.84909 -0.83281 -0.83162 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12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 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 7909.2873 59572.0100 63748.1281 1.00000 -0.00155 -0.00097 0.00153 0.99980 -0.01997 0.00100 0.01997 0.99980 1 0.01095 0.00145 0.00136 0.22818 0.03030 0.02831 10.16 13.98 19.49 23.75 39.71 43.14 54.47 71.35 88.66 92.98 105.79 115.45 124.59 132.88 150.61 192.13 201.95 212.32 223.57 270.20 286.22 290.30 304.94 360.06 369.42 373.77 391.23 395.69 403.08 410.38 417.55 439.78 456.00 480.13 488.50 500.24 509.16 530.13 538.71 580.89 598.18 607.92 648.61 660.26 662.76 669.31 714.54 720.82 731.37 732.40 761.00 772.50 798.37 814.05 859.13 865.35 892.98 912.84 937.37 941.25 973.51 1055.10 1085.97 1106.76 1116.56 1123.11 1147.64 1151.99 1158.46 1186.72 1193.46 1213.96 1246.32 1267.54 1281.97 1329.43 1337.79 1348.69 1372.33 1379.05 1380.55 1394.57 1427.62 1466.86 1470.86 1488.98 1489.26 1498.95 1515.27 1521.61 1555.16 1572.13 1573.91 1584.28 1592.89 1597.61 1608.74 1612.51 1614.43 1633.63 1647.65 1653.03 1674.77 1691.08 1700.61 1719.92 1722.84 1738.68 1751.03 1755.22 1759.12 1784.08 1797.22 1835.13 1861.86 1865.74 1872.59 1880.57 1883.57 1890.81 1891.38 1918.83 1922.86 1947.96 1950.12 1961.13 1965.26 2024.23 2034.97 2079.81 2082.07 2100.49 2105.87 2108.18 2118.92 2131.01 2163.68 2197.62 2203.60 2206.25 2254.08 2263.66 2264.11 2267.13 2269.51 2295.57 2299.38 2302.17 2322.25 2329.29 2330.27 2335.24 2339.61 2348.71 2353.16 2362.82 2363.96 2368.20 2373.78 2375.40 2383.72 2386.03 2388.66 2394.72 2395.71 2410.74 2425.12 2440.32 2455.41 2557.10 2575.53 2595.83 2598.56 2600.56 2614.17 2823.53 4598.06 4611.36 4620.32 4621.12 4622.20 4625.83 4642.74 4649.65 4695.73 4711.01 4711.48 4714.45 4716.17 4729.21 4743.51 4745.77 4748.71 4760.01 4763.23 4766.05 4766.73 4786.01 4806.90 4842.16 4843.92 4847.67 4862.80 4866.99 4876.70 4887.58 4889.04 4900.13 4914.09 5282.04 5375.31 5499.68 5562.41 0.668769 0.702605 0.703550 0.596504 -1917.038957 -1917.005120 -1917.004176 -1917.111221 3.590307D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2c3ccccc3)CNc4ccccc4OC)C C20831300 RHF 6-31G(d) (6D,10F) C1 509.269871 |X|Y|Z| 178.412214 59.499009 35.352570 72.130416 29 6 7 16 22 6 1 |36.858105| |12.449111|36.858105| |7.452823|12.417152|36.858105| |5.935694|7.431606|12.465462|36.858105| |4.936823|6.322197|7.593428|12.423447|36.858105| |5.657314|7.066077|6.299319|7.416571|12.442465|36.858105| |7.576759|12.388934|7.676056|6.618687|7.699895|12.350974|53.358707| |7.304499|9.131170|5.688178|5.044507|5.697323|9.107718|25.686566|0.500000| |5.713707|9.247299|6.901615|5.754946|6.931415|9.242253|25.711946|0.330861|0.500000| |4.046802|4.884907|4.439546|4.889707|7.541594|12.443544|10.615968|0.196835|0.217028|36.858105| |5.704915|5.654888|4.929626|5.932029|7.451612|12.450969|10.288323|0.202154|0.158575|7.626676|36.858105| |4.260307|4.989925|7.829055|13.193827|7.743964|4.966358|6.125638|0.102238|0.117803|3.829702|4.245924|53.358707| |3.551108|3.843275|5.161965|7.816747|5.994004|4.180877|4.932613|0.086185|0.094268|3.377865|3.887323|19.015538|36.858105| |3.573196|3.685603|4.575458|6.981454|5.882408|4.334150|4.880809|0.087016|0.090876|3.471230|4.345506|11.599280|15.902399|73.516695| |2.844452|3.066821|3.966966|5.046229|4.243254|3.200589|3.932564|0.070350|0.077470|2.752110|2.979501|10.736798|12.601250|14.101115|36.858105| 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|1.454778|1.492010|1.685762|1.818725|1.698824|1.502320|1.946847|0.037141|0.039161|1.404910|1.467243|2.852439|2.331924|3.925779|2.823279|23.333322|4.472026|6.043955|8.004272|7.933364|8.034385|5.271349|5.529409|4.234127|3.489412|3.422004|4.008213|13.162883|53.358707| |1.317587|1.345932|1.501549|1.604801|1.510572|1.353412|1.761740|0.033824|0.035484|1.274426|1.326791|2.472032|1.992392|3.390093|2.338286|18.928771|3.377731|4.573445|5.701736|5.117039|5.717274|4.061964|4.418701|3.751298|3.156926|3.018806|3.337685|7.738603|18.503299|36.858105| |1.232376|1.260486|1.395802|1.493771|1.424408|1.283486|1.664661|0.032058|0.033599|1.219392|1.259588|2.279730|1.832507|3.144415|2.119953|17.197701|2.988453|4.003938|4.878515|4.346975|5.030796|3.728553|3.951726|3.562685|3.137264|3.021320|3.251569|6.503666|10.552260|13.789244|36.858105| |1.135328|1.157214|1.270235|1.349353|1.290751|1.174232|1.529733|0.029600|0.030891|1.119768|1.155699|2.035156|1.619676|2.794300|1.839200|14.671022|2.456579|3.304126|3.889619|3.301858|3.972634|2.979642|3.192398|3.021638|2.715120|2.580027|2.686318|4.415768|6.964141|7.886497|13.666880|36.858105| |1.110278|1.127157|1.233879|1.301045|1.237156|1.130219|1.481898|0.028731|0.029895|1.074466|1.114262|1.954259|1.544864|2.663228|1.742529|13.703420|2.263131|3.067335|3.559653|2.938415|3.572501|2.652165|2.892385|2.744762|2.434756|2.286053|2.370502|3.728152|6.182523|6.816922|7.944986|13.875517|36.858105| |1.171072|1.186688|1.304771|1.371865|1.291658|1.176483|1.548541|0.029970|0.031189|1.110919|1.159339|2.070501|1.636164|2.805737|1.856815|14.519959|2.416905|3.300450|3.843236|3.143039|3.791095|2.760608|3.057198|2.823934|2.439663|2.280933|2.399292|3.919712|7.060133|7.878823|6.892371|7.959292|13.657892|36.858105| |1.276985|1.297230|1.439986|1.522213|1.423623|1.284825|1.686941|0.032494|0.033941|1.206561|1.262819|2.325759|1.853094|3.155443|2.142364|16.916497|2.908994|3.984607|4.769079|3.984908|4.660245|3.314281|3.693197|3.244410|2.728177|2.564624|2.770357|5.139415|10.788651|13.526221|7.950850|6.880401|7.928234|13.844244|36.858105| |1.357650|1.376002|1.535567|1.615453|1.491506|1.342253|1.772134|0.034067|0.035585|1.250303|1.318280|2.480942|1.971362|3.332005|2.290773|17.812787|3.061931|4.251177|5.013914|4.032496|4.757139|3.281335|3.668756|3.144305|2.613566|2.462671|2.691214|4.740033|9.872887|8.179029|5.299115|4.620591|5.181671|7.868099|14.038240|73.516695| |1.305141|1.315987|1.457667|1.515720|1.395746|1.267114|1.686936|0.032561|0.033862|1.179772|1.247216|2.301314|1.804464|3.058093|2.055604|15.615025|2.581659|3.600538|4.084303|3.160846|3.860107|2.691807|2.991872|2.660837|2.254286|2.117898|2.273219|3.527010|6.446765|5.246344|3.989526|3.796178|4.505971|6.721195|7.994742|24.197270|36.858105| |7.627673|12.439541|7.545623|4.899570|4.452013|4.880258|10.617759|0.196878|0.216730|3.988000|4.041466|5.242226|3.069873|5.153543|2.605803|15.213887|1.918244|2.672362|2.365952|1.613908|2.299747|1.575614|1.491240|1.391466|1.366248|1.430647|1.538946|1.434841|1.892794|1.263893|1.185415|1.094325|1.070168|1.126649|1.225372|2.311387|1.252415|36.858105| |17.595729|8.931541|6.676145|5.115893|4.095119|4.362970|7.545480|0.148283|0.128241|3.328486|4.352812|5.431852|3.353804|5.882495|2.767045|16.533792|2.024853|2.752210|2.422225|1.677082|2.432504|1.689109|1.625651|1.523758|1.483533|1.531713|1.634074|1.487650|1.991963|1.326959|1.235230|1.139661|1.119876|1.186691|1.294263|2.461377|1.338760|7.173103|0.500000| |17.551843|8.758916|5.447947|4.621662|4.236780|5.215255|9.577239|0.222810|0.150162|3.976985|5.530835|4.748730|3.011051|5.466127|2.472390|15.177568|1.850505|2.492795|2.209507|1.543670|2.245585|1.578005|1.512399|1.433978|1.415396|1.469048|1.552655|1.378898|1.833299|1.228466|1.154985|1.069210|1.046376|1.099786|1.192510|2.243978|1.217129|6.856814|0.303083|0.500000| |17.666555|8.665915|6.849230|6.558977|5.289590|5.891557|8.975289|0.172572|0.138439|4.065778|6.682425|6.277775|3.976493|7.412374|3.080332|18.607464|2.188786|2.909358|2.529423|1.768673|2.614843|1.834871|1.752735|1.651208|1.624428|1.689529|1.797310|1.557429|2.068671|1.371491|1.281715|1.177469|1.149194|1.212188|1.325279|2.503922|1.348512|5.498578|0.303834|0.301223|0.500000| |5.490494|8.856151|17.500373|8.872373|6.908823|5.600422|9.247096|0.141986|0.197612|4.351156|4.194616|9.700062|4.726226|7.204240|3.863056|20.434689|2.538933|3.599623|3.067646|2.042862|2.926314|1.950504|1.803203|1.647415|1.613357|1.716824|1.894409|1.764214|2.289751|1.499047|1.396214|1.270097|1.231710|1.300263|1.434526|2.713229|1.446805|7.273974|0.141876|0.123007|0.138374|0.500000| |7.074489|8.936679|17.576431|8.829245|5.513644|4.743995|7.596042|0.127032|0.141489|3.561962|4.101061|9.726330|4.972563|7.732135|3.981361|21.275434|2.597708|3.626379|3.082890|2.071936|2.997270|2.010810|1.892061|1.727383|1.670545|1.751188|1.922067|1.788284|2.362898|1.544143|1.424396|1.296466|1.266112|1.347782|1.491167|2.852728|1.531018|6.705059|0.205867|0.141924|0.181518|0.303402|0.500000| |6.534690|6.748769|8.854325|17.648312|8.870935|6.760615|8.048041|0.134357|0.135687|4.451701|6.555919|12.781631|7.481057|13.907518|4.766406|26.391605|2.907932|3.823732|3.185410|2.203456|3.328477|2.291971|2.130515|1.966245|1.936539|2.055842|2.243953|1.881754|2.457887|1.596934|1.484792|1.343848|1.298828|1.371309|1.519897|2.872012|1.519537|4.447240|0.154537|0.138708|0.231908|0.173997|0.212946|0.500000| |4.205625|5.629936|6.926856|8.879672|17.510565|8.843831|9.277520|0.142224|0.198689|7.239911|5.483130|9.629720|5.358936|8.713957|4.125034|22.677216|2.696376|3.695134|3.122139|2.118245|3.105016|2.100997|1.895394|1.747691|1.755871|1.915875|2.114969|1.820025|2.308280|1.508491|1.425616|1.291179|1.235225|1.287290|1.418353|2.635586|1.385506|4.372445|0.100695|0.102569|0.118543|0.207464|0.141619|0.174399|0.500000| |4.106504|4.758343|5.528492|8.859204|17.604554|8.938874|7.604980|0.127007|0.141833|6.682628|7.062627|9.646076|6.518750|12.466127|4.520723|26.298811|2.909087|3.802806|3.182888|2.213151|3.350453|2.320085|2.086600|1.940636|1.971508|2.165011|2.372426|1.891978|2.400519|1.563394|1.479664|1.336118|1.273731|1.325109|1.462664|2.709568|1.416879|3.570478|0.097208|0.100761|0.126774|0.141670|0.123692|0.214505|0.303110|0.500000| |3.478322|3.996314|3.842692|4.476786|6.880932|8.876381|7.627365|0.143890|0.152935|17.599584|6.926971|5.026828|3.410312|6.378693|2.794567|17.626055|2.107614|2.796417|2.457499|1.728242|2.547720|1.799982|1.646799|1.567736|1.612155|1.755040|1.867666|1.530220|1.950418|1.299050|1.248217|1.144365|1.093260|1.126197|1.223292|2.242550|1.184849|3.301649|0.081404|0.094321|0.100285|0.104437|0.088273|0.115804|0.181875|0.198275|0.500000| |3.910090|4.493721|3.850017|4.036470|5.473832|8.739712|9.562813|0.208427|0.191888|17.547942|7.009012|4.384735|2.888734|5.319064|2.402744|15.099156|1.841940|2.469173|2.195078|1.540654|2.245677|1.586626|1.474355|1.407693|1.434206|1.537017|1.624465|1.377834|1.777048|1.192124|1.143250|1.055357|1.015502|1.048721|1.133579|2.086291|1.112670|3.837653|0.089413|0.112398|0.107349|0.103794|0.088649|0.106272|0.144525|0.138438|0.302409|0.500000| |3.704205|4.695550|4.412457|4.627283|6.874463|8.727344|9.685617|0.172849|0.235654|17.545967|5.504838|5.136228|3.257495|5.736657|2.723419|16.524924|2.033923|2.768537|2.439949|1.688454|2.445430|1.698249|1.557474|1.468590|1.491864|1.614361|1.734325|1.496065|1.910848|1.273633|1.219234|1.119378|1.073546|1.109527|1.205084|2.219105|1.177611|4.068626|0.087092|0.099979|0.100300|0.128088|0.097990|0.111858|0.217607|0.163205|0.302768|0.299835|0.500000| |6.645352|5.870155|5.281928|6.567168|6.860705|8.662957|8.934981|0.171506|0.138103|5.498526|17.668274|6.275309|4.274959|8.744155|3.192508|19.981817|2.273623|2.955561|2.558477|1.811184|2.721814|1.938592|1.824786|1.736251|1.744694|1.843535|1.949112|1.590955|2.083112|1.379401|1.302014|1.192694|1.152964|1.205047|1.316550|2.456561|1.308680|4.051618|0.139577|0.168342|0.252075|0.118295|0.126562|0.233290|0.138470|0.182093|0.142519|0.140865|0.122073|0.500000| |5.547283|5.219747|4.234884|4.623586|5.448873|8.754538|9.561662|0.221979|0.149984|6.846637|17.547400|4.740622|3.200193|6.231181|2.556388|16.288086|1.926037|2.533440|2.236007|1.584799|2.346176|1.677239|1.581504|1.518010|1.536857|1.624377|1.701908|1.412770|1.846496|1.235804|1.176461|1.085565|1.049728|1.090671|1.181681|2.190287|1.171984|3.973454|0.117785|0.165916|0.169994|0.102390|0.100795|0.139163|0.122862|0.141668|0.166933|0.206702|0.140381|0.300810|0.500000| |4.350415|4.361664|4.088741|5.106668|6.664591|8.942182|7.537093|0.147996|0.128266|7.181709|17.600028|5.400475|3.837001|7.901581|2.972512|19.229815|2.200200|2.843998|2.480097|1.768049|2.660452|1.912290|1.778099|1.706425|1.747468|1.874324|1.969447|1.560735|2.018861|1.341498|1.279720|1.172920|1.125966|1.166612|1.270055|2.343720|1.241644|3.325796|0.098209|0.117483|0.139939|0.100425|0.097020|0.154830|0.141508|0.204864|0.215339|0.180439|0.143915|0.304605|0.302817|0.500000| |3.854500|4.656597|7.369772|8.972810|6.287275|4.321684|5.638169|0.094780|0.113278|3.510558|3.617961|26.042662|9.314192|10.876209|7.541524|31.531201|3.772921|5.425035|4.273778|2.767019|4.046693|2.590554|2.327738|2.062011|2.000335|2.160594|2.470983|2.277038|2.907799|1.847757|1.698579|1.514551|1.455855|1.546024|1.740238|3.310804|1.728116|3.838086|0.103069|0.088987|0.110668|0.215415|0.194945|0.183159|0.181005|0.155926|0.093169|0.082876|0.099683|0.106141|0.085288|0.093956|0.500000| |2.665339|2.956121|3.808597|4.690753|4.196646|3.141644|3.867471|0.068942|0.077970|2.780878|2.835850|9.670833|8.900492|10.899516|17.610892|56.417139|6.863047|9.946307|6.610785|4.138134|6.318915|3.731789|3.112312|2.638145|2.560442|2.874399|3.521428|3.129357|3.797059|2.317099|2.120604|1.837092|1.729545|1.830233|2.105426|3.961161|1.993474|2.561816|0.071634|0.065030|0.078499|0.107948|0.103541|0.117004|0.119808|0.123322|0.078699|0.066950|0.078141|0.082092|0.068034|0.078860|0.211277|0.500000| |2.834487|3.028588|3.946118|4.677686|3.766456|2.940517|3.754808|0.067554|0.074064|2.519865|2.747278|9.623236|8.912989|10.962921|17.606332|56.346132|6.759501|9.577851|6.486457|4.106153|6.301678|3.742980|3.304637|2.757844|2.574219|2.767074|3.317473|3.122931|4.001969|2.421218|2.156304|1.872010|1.792265|1.935329|2.249537|4.365078|2.214695|2.621115|0.078547|0.068043|0.084279|0.106794|0.115607|0.123903|0.102163|0.106604|0.069834|0.061982|0.069622|0.082540|0.066553|0.074702|0.204042|0.304265|0.500000| |1.637004|1.644354|1.856219|2.060668|1.903638|1.680537|2.143083|0.040918|0.042378|1.545602|1.682360|3.225808|2.767437|4.850922|3.302383|31.020566|5.288559|5.901453|6.199234|5.966989|9.796962|8.936302|17.757914|8.884366|5.636008|4.946210|5.639997|5.665517|8.891896|5.021981|4.173191|3.353372|3.119430|3.427524|4.303945|7.915041|3.536924|1.497114|0.045563|0.041930|0.048524|0.050164|0.053186|0.058481|0.051410|0.055843|0.044075|0.039856|0.042136|0.049539|0.042881|0.047624|0.064690|0.084703|0.093743|0.500000| |1.474340|1.460814|1.606680|1.782884|1.684325|1.523942|1.931100|0.037336|0.038021|1.417419|1.556805|2.687161|2.277119|4.161923|2.534806|23.170146|3.425967|3.940267|4.022715|3.583913|5.680661|5.663700|8.939373|17.730864|8.909806|5.642974|4.950946|3.648209|5.357174|3.650311|3.453224|3.023070|2.813150|2.912813|3.287036|5.675849|2.749804|1.330701|0.040770|0.038307|0.043883|0.043125|0.045558|0.051266|0.045106|0.049794|0.040730|0.036952|0.038294|0.045666|0.040089|0.044576|0.053026|0.065548|0.069724|0.214449|0.500000| |1.432189|1.425442|1.552191|1.744421|1.696688|1.545022|1.924446|0.037331|0.037928|1.459383|1.588131|2.591611|2.202436|4.119682|2.387002|21.951605|3.075171|3.522541|3.519915|3.065504|4.924098|4.967293|5.644490|8.918192|17.723850|8.919190|5.648584|3.062742|4.077709|2.804768|2.834591|2.532652|2.292377|2.272602|2.480548|4.207360|2.080822|1.292144|0.039040|0.037503|0.042744|0.041741|0.043225|0.050069|0.045429|0.051008|0.042566|0.038074|0.039256|0.046023|0.040898|0.046298|0.050663|0.062846|0.063187|0.123970|0.214916|0.500000| |1.527523|1.547882|1.700109|1.946638|1.938686|1.737779|2.123875|0.040883|0.042099|1.660711|1.763721|2.922750|2.520378|4.716479|2.756125|26.107494|3.604832|4.044101|3.956051|3.425054|5.683671|5.656909|4.943721|5.641663|8.906154|17.728405|8.932057|3.260204|3.976879|2.637805|2.687061|2.345831|2.083025|2.056201|2.271296|3.867544|1.898903|1.393376|0.041126|0.039887|0.045581|0.046107|0.046582|0.055078|0.052349|0.059431|0.049178|0.042835|0.044821|0.050433|0.044919|0.052135|0.057047|0.074423|0.070081|0.107424|0.124056|0.214805|0.500000| |1.709035|1.769796|2.002508|2.322986|2.293473|1.978977|2.413605|0.045680|0.048210|1.875715|1.950249|3.654031|3.236028|5.788669|3.836394|39.310810|6.023331|6.266354|5.967180|5.317311|9.820629|8.924331|5.636627|4.950759|5.640290|8.890465|17.727208|4.477333|4.945796|3.043823|2.993064|2.494640|2.201807|2.218260|2.541440|4.400171|2.110254|1.586699|0.046022|0.043986|0.050794|0.054983|0.054781|0.064253|0.062929|0.070498|0.055347|0.047495|0.051293|0.055727|0.048896|0.057120|0.072341|0.106909|0.094504|0.124290|0.107505|0.124029|0.214541|0.500000| |1.440145|1.487918|1.676921|1.839790|1.759737|1.549956|1.976565|0.037671|0.039868|1.467233|1.511174|2.881745|2.388156|4.065527|2.887940|24.942863|4.820731|6.155046|7.961534|9.018035|9.562926|6.747228|5.897621|4.648342|4.181279|4.450983|5.525609|17.617112|12.489292|6.940905|6.880773|4.617319|3.718485|3.722541|4.624016|7.268962|3.144497|1.377651|0.039730|0.037169|0.041928|0.046653|0.047132|0.050491|0.049019|0.051536|0.042081|0.037723|0.040744|0.043373|0.038667|0.042968|0.059500|0.081249|0.079469|0.156834|0.110850|0.096856|0.104811|0.141397|0.500000| |1.436343|1.499429|1.700567|1.835449|1.746261|1.533309|1.979442|0.037610|0.040242|1.453270|1.473997|2.894929|2.339603|3.881180|2.861392|22.860523|4.527433|6.620052|9.902343|9.063910|7.739663|4.666377|4.161000|3.368049|3.059709|3.244847|3.941572|17.532550|12.208396|6.789357|6.168278|4.357327|3.666655|3.784051|4.773870|7.741539|3.343926|1.403707|0.039823|0.036990|0.041405|0.047905|0.047995|0.049701|0.049266|0.050428|0.041334|0.037322|0.040763|0.042176|0.037785|0.041522|0.061098|0.082656|0.080676|0.119263|0.084285|0.073752|0.079951|0.108047|0.301579|0.500000| |1.506124|1.546023|1.756674|1.880973|1.737115|1.532251|1.999851|0.038075|0.040240|1.424718|1.491007|2.968014|2.407212|4.002553|2.938124|23.507579|4.526323|6.413988|8.564120|7.486644|7.542538|4.671420|4.865041|3.749118|3.108081|3.056624|3.578075|9.318036|25.980535|9.562538|5.866070|4.337523|4.115826|4.955150|7.674909|15.390930|5.432439|1.445097|0.042323|0.038591|0.043590|0.048752|0.050653|0.051771|0.048213|0.049718|0.040137|0.036754|0.039619|0.043339|0.038283|0.041604|0.062240|0.080314|0.087198|0.165091|0.098371|0.074964|0.073340|0.091701|0.181447|0.210006|0.500000| |1.245893|1.279080|1.417779|1.527248|1.467439|1.318454|1.699612|0.032690|0.034347|1.257777|1.291808|2.335043|1.886607|3.243087|2.188982|17.975668|3.145572|4.171234|5.097829|4.662475|5.401067|4.055524|4.109271|3.713812|3.378434|3.346808|3.633918|7.215645|9.548528|8.928877|17.749182|8.943716|5.669700|4.964768|5.640741|7.593482|3.328105|1.199227|0.034522|0.032443|0.036041|0.039464|0.039949|0.042061|0.040885|0.042572|0.035925|0.032684|0.034954|0.036967|0.033443|0.036618|0.048253|0.061327|0.061005|0.114807|0.096737|0.083996|0.082911|0.093666|0.244598|0.191839|0.145873|0.500000| |1.084991|1.106722|1.209376|1.285139|1.238281|1.130798|1.470549|0.028511|0.029733|1.084171|1.113621|1.927546|1.530631|2.651976|1.723655|13.726257|2.264120|3.034580|3.522112|2.963005|3.626971|2.752043|2.900480|2.813747|2.606178|2.496085|2.558752|3.846280|5.649245|5.635457|8.914628|17.723054|8.941161|5.646796|4.956371|6.516503|3.135476|1.047641|0.030171|0.028472|0.031236|0.033625|0.034141|0.035529|0.034450|0.035664|0.030847|0.028432|0.030114|0.031813|0.029113|0.031476|0.039778|0.048029|0.048336|0.082393|0.077888|0.068503|0.064075|0.066623|0.115291|0.107183|0.099206|0.217066|0.500000| |1.046623|1.060722|1.154576|1.212683|1.156612|1.062760|1.396570|0.027158|0.028188|1.013246|1.049365|1.808506|1.421805|2.459132|1.586950|12.378080|2.007652|2.722088|3.106401|2.522441|3.116964|2.324544|2.521419|2.439949|2.200235|2.065596|2.115331|3.090328|4.921901|4.923692|5.639851|8.931267|17.727992|8.904617|5.651600|7.437583|3.908499|1.010440|0.029333|0.027491|0.030037|0.032015|0.032881|0.033653|0.032077|0.033023|0.028619|0.026686|0.028120|0.030115|0.027557|0.029446|0.037388|0.043773|0.045253|0.074649|0.069976|0.058404|0.052920|0.054929|0.086252|0.085248|0.093150|0.124437|0.214343|0.500000| |1.140443|1.151928|1.261638|1.317987|1.237714|1.132695|1.498415|0.029066|0.030165|1.068511|1.117803|1.978067|1.552544|2.664435|1.745852|13.478082|2.204018|3.021753|3.451922|2.757286|3.380242|2.455532|2.718762|2.539085|2.206438|2.058861|2.151444|3.285411|5.720446|5.614015|4.965298|5.669823|8.920614|17.758160|8.940498|12.546679|7.490487|1.097919|0.032213|0.029798|0.032722|0.034886|0.036319|0.036658|0.034226|0.035128|0.029998|0.028097|0.029635|0.032310|0.029301|0.031152|0.041038|0.047647|0.050803|0.084723|0.073538|0.057660|0.051925|0.055512|0.086373|0.088657|0.116590|0.107781|0.124386|0.216076|0.500000| |1.260521|1.263051|1.389499|1.447202|1.336460|1.220453|1.622598|0.031431|0.032485|1.137241|1.209082|2.179230|1.712630|2.932671|1.926972|14.781566|2.390061|3.267227|3.634851|2.853500|3.586369|2.575676|2.924380|2.675032|2.258250|2.086126|2.197407|3.173991|5.677751|4.727505|3.778230|3.731281|4.559604|6.717149|7.005573|16.450696|17.565566|1.200538|0.035897|0.032764|0.036259|0.038136|0.040481|0.040534|0.036697|0.037765|0.031767|0.029884|0.031426|0.035274|0.031642|0.033494|0.045128|0.051621|0.057214|0.095495|0.078594|0.058556|0.052050|0.056233|0.081139|0.082635|0.125686|0.087723|0.086417|0.112822|0.226374|0.500000| |1.241493|1.256912|1.387812|1.434312|1.327659|1.208925|1.614735|0.031206|0.032538|1.131281|1.185266|2.169008|1.685254|2.848698|1.910659|14.317043|2.361777|3.340313|3.811197|2.900391|3.499211|2.425537|2.631853|2.365377|2.048023|1.946766|2.087145|3.266443|5.707613|4.777508|3.818410|3.764401|4.588073|6.739754|7.059260|16.446932|17.564803|1.203804|0.035363|0.032248|0.035462|0.038467|0.040392|0.039746|0.036786|0.037332|0.031526|0.029682|0.031475|0.034400|0.031019|0.032751|0.045462|0.052021|0.056952|0.084023|0.067319|0.052841|0.048995|0.054483|0.081164|0.089100|0.131100|0.088624|0.087120|0.113250|0.224080|0.298926|0.500000| |1.377222|1.386132|1.540984|1.594472|1.454150|1.317978|1.763017|0.033981|0.035339|1.219808|1.296186|2.427036|1.895173|3.194444|2.159675|16.158473|2.651655|3.729751|4.151239|3.131983|3.867747|2.655620|2.930350|2.580673|2.188338|2.067285|2.233491|3.334942|5.903297|4.411338|3.415071|3.186767|3.611986|4.900885|5.867129|16.991275|17.642907|1.320158|0.039452|0.035554|0.039494|0.042409|0.045301|0.044447|0.040031|0.040818|0.033899|0.031936|0.033815|0.037927|0.033808|0.035681|0.050753|0.057775|0.065592|0.096833|0.073726|0.055981|0.051509|0.057825|0.081822|0.087592|0.143371|0.082036|0.075088|0.088933|0.146294|0.300017|0.299850|0.500000| |6.925708|8.865165|6.888606|4.484820|3.850285|3.992873|7.627716|0.143966|0.152721|3.301060|3.475260|5.060738|2.986908|4.960482|2.584944|15.065329|1.919283|2.689974|2.388959|1.624433|2.303207|1.572251|1.497411|1.392737|1.357206|1.412621|1.521328|1.446001|1.920993|1.283082|1.197588|1.106468|1.086655|1.149217|1.250858|2.373500|1.292405|17.597549|0.215008|0.167213|0.142346|0.182858|0.199272|0.115632|0.104844|0.088464|0.078684|0.088086|0.093142|0.100008|0.094305|0.081349|0.104725|0.070054|0.073825|0.042059|0.037133|0.035618|0.038016|0.043321|0.038378|0.039289|0.040964|0.033507|0.029341|0.028497|0.031200|0.034370|0.034503|0.038035|0.500000| |5.505380|8.726877|6.873693|4.636696|4.426176|4.689696|9.678127|0.172675|0.234987|4.066123|3.699115|5.164629|3.002251|4.955385|2.594479|15.034525|1.919724|2.702266|2.397480|1.624621|2.298546|1.564947|1.471578|1.369092|1.347031|1.417935|1.532051|1.444315|1.893729|1.264401|1.188523|1.096445|1.069895|1.124032|1.222420|2.299520|1.243089|17.546904|0.143800|0.140517|0.122086|0.218566|0.163505|0.111806|0.128816|0.098256|0.093133|0.106948|0.121775|0.100028|0.099833|0.087027|0.108528|0.072398|0.072159|0.040983|0.036261|0.035330|0.038426|0.044151|0.038474|0.039481|0.040147|0.033472|0.029194|0.028056|0.030379|0.032996|0.033309|0.036315|0.302663|0.500000| 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