Version2.1 2021-01-19T06:50:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](c3ccccc3)[NH+](C)C C39675846 RHF 6-31G(d) (6D,7F) CCCC[C@@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](c3ccccc3)[NH+](C)C C01[X(C26H44N4O2)] 222 C1 568 CCCC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C CCCC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C CCCC[C@@H](C)C(=O)N1C[C@H](C(=O)NC[C@H]([NH+](C)C)c2ccccc2)C3(CC[NH2+]CC3)C1 InChIKey=ICXCQILANJRUCA-MZYLBHOOSA-P InChI=1S/C26H42N4O2/c1-5-6-10-20(2)25(32)30-18-22(26(19-30)13-15-27-16-14-26)24(31)28-17-23(29(3)4)21-11-8-7-9-12-21/h7-9,11-12,20,22-23,27H,5-6,10,13-19H2,1-4H3,(H,28,31)/p+2/t20-,22-,23+/m1/s1 InChI=1/C26H42N4O2/c1-5-6-10-20(2)25(32)30-18-22(26(19-30)13-15-27-16-14-26)24(31)28-17-23(29(3)4)21-11-8-7-9-12-21/h7-9,11-12,20,22-23,27H,5-6,10,13-19H2,1-4H3,(H,28,31)/p+2/t20-,22-,23+/m1/s1/fC26H44N4O2/h27-29H/q+2 CCCC[C@@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](c3ccccc3)[NH+](C)C C01[X(C26H44N4O2)] 222 C01 568 CCCC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C CCCC[C@H](C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NC[C@@H]([C]1[CH][CH][CH][CH][CH]1)[NH](C)C)C CCCC[C@@H](C)C(=O)N1C[C@H](C(=O)NC[C@@H]([C]2[CH][CH][CH][CH][CH]2)[NH](C)C)C3(CC[NH2]CC3)C1 InChIKey=DXSSAHIBUHATMF-MZYLBHOOSA-N InChI=1S/C26H44N4O2/c1-5-6-10-20(2)25(32)30-18-22(26(19-30)13-15-27-16-14-26)24(31)28-17-23(29(3)4)21-11-8-7-9-12-21/h7-9,11-12,20,22-23,29H,5-6,10,13-19,27H2,1-4H3,(H,28,31)/t20-,22-,23+/m1/s1 InChI=1/C26H44N4O2/c1-5-6-10-20(2)25(32)30-18-22(26(19-30)13-15-27-16-14-26)24(31)28-17-23(29(3)4)21-11-8-7-9-12-21/h7-9,11-12,20,22-23,29H,5-6,10,13-19,27H2,1-4H3,(H,28,31)/t20-,22-,23+/m1/s1/f/h28H 3444.5435478798 -1377.2853636 1-A 18786.4552 121 447 568 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.74390 -20.67529 -15.92527 -15.92444 -15.80367 -15.75632 -11.56643 -11.52471 -11.51400 -11.51269 -11.50737 -11.50030 -11.49703 -11.49628 -11.46606 -11.46093 -11.45526 -11.45259 -11.44954 -11.44487 -11.44471 -11.43925 -11.43575 -11.42623 -11.42472 -11.42214 -11.38315 -11.35773 -11.34912 -11.33913 -11.32799 -11.31356 -1.61195 -1.55992 -1.55934 -1.54936 -1.45719 -1.44077 -1.36242 -1.32684 -1.28708 -1.27713 -1.24869 -1.23585 -1.22905 -1.21620 -1.19673 -1.18448 -1.16918 -1.16270 -1.11429 -1.10891 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0.8277 0.7135 0.8571 0.8489 0.2085 0.2129 0.3475 0.7808 0.2555 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 71 72 73 74 75 76 6 6 6 6 6 1 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 1 6 6 6 6 6 6 7 1 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 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 1.00783 1.00783 1.00783 14829.5517 19688.4599 30933.2508 0.99859 0.05310 0.00195 -0.05310 0.99859 0.00105 -0.00189 -0.00115 1.00000 1 0.00584 0.00440 0.00280 0.12170 0.09166 0.05834 9.92 18.67 27.12 38.44 44.54 59.52 69.19 72.89 81.58 96.45 100.09 118.02 132.78 152.08 165.07 198.14 206.00 256.75 264.95 269.41 281.13 305.73 323.24 334.26 345.12 357.84 363.93 377.53 392.87 414.78 427.23 431.27 465.02 493.88 500.91 514.29 532.00 547.99 613.03 630.89 653.16 654.74 667.77 697.35 708.19 729.62 736.50 755.61 796.16 796.68 873.83 875.81 931.82 973.80 990.84 1030.06 1117.06 1125.40 1133.77 1157.86 1177.65 1203.26 1222.15 1226.76 1236.67 1255.44 1263.46 1290.40 1344.00 1350.51 1358.78 1371.02 1383.49 1402.34 1403.92 1427.75 1438.28 1484.36 1519.56 1522.03 1535.24 1537.16 1562.56 1569.00 1579.49 1587.59 1593.20 1598.75 1605.88 1606.65 1625.29 1629.80 1632.89 1636.82 1643.48 1645.40 1660.34 1661.93 1683.33 1710.76 1725.27 1759.13 1762.17 1772.99 1780.36 1808.05 1840.51 1847.44 1852.76 1882.52 1883.72 1889.22 1900.11 1911.59 1931.95 1941.86 1949.13 1961.58 1962.74 1976.44 2006.23 2034.10 2036.46 2066.58 2069.84 2083.52 2090.21 2098.23 2099.53 2105.78 2109.80 2138.34 2146.77 2157.49 2166.16 2185.28 2189.99 2203.33 2228.06 2234.61 2240.49 2242.39 2247.68 2249.46 2249.88 2258.19 2263.12 2274.60 2277.20 2281.68 2286.73 2328.59 2337.25 2339.52 2347.64 2351.92 2353.79 2355.64 2358.44 2364.23 2365.33 2365.89 2368.24 2369.10 2370.66 2373.90 2384.17 2388.46 2397.90 2404.87 2417.83 2429.22 2460.66 2566.39 2592.12 2628.03 2778.45 2805.14 4557.83 4590.89 4600.07 4603.08 4605.41 4610.56 4614.53 4616.36 4632.57 4633.14 4655.21 4655.72 4686.57 4690.03 4692.42 4693.31 4702.72 4710.10 4711.17 4713.33 4714.20 4719.24 4726.64 4728.59 4744.73 4765.14 4765.90 4780.71 4798.95 4805.72 4818.95 4821.58 4834.07 4839.65 4848.05 4869.82 4872.93 4886.25 4888.37 4903.43 5267.19 5324.49 5357.41 5589.94 0.741888 0.773983 0.774927 0.672960 -1376.543475 -1376.511380 -1376.510436 -1376.612404 3.420023D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE CCCC[C@@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](c3ccccc3)[NH+](C)C C39675846 RHF 6-31G(d) (6D,10F) C1 444.346427 |X|Y|Z| 100.761461 86.124315 34.868774 67.135512 20 6 7 17 3 |36.858105| |12.468593|36.858105| |7.473854|12.444108|36.858105| |4.869461|7.486641|12.445694|36.858105| |3.717935|4.844277|7.394631|12.378826|36.858105| |3.670704|4.574367|6.898447|8.887793|17.537329|0.500000| |3.425494|4.154756|6.026021|7.414916|12.378233|0.246354|36.858105| |2.984627|3.784435|4.898290|7.627750|12.527637|0.246611|7.709364|36.858105| |2.836124|3.612530|4.372176|6.674138|7.985490|0.163863|6.166630|15.892835|73.516695| |2.571505|3.113048|3.869138|5.211702|7.653401|0.205497|5.697159|13.875256|15.255679|53.358707| |2.483998|2.902904|3.623430|4.429718|6.353202|0.208178|5.104458|7.511314|9.427560|17.892171|36.858105| |2.073332|2.366528|2.809002|3.316275|4.272180|0.129572|3.753604|5.174121|7.526811|11.111461|12.344739|36.858105| |1.962629|2.221072|2.634719|3.080080|3.987703|0.116967|3.750684|4.782485|7.179585|9.476157|8.924385|17.505294|0.500000| |2.003338|2.317602|2.675767|3.246983|3.963108|0.113223|3.388582|5.232643|8.240383|11.034679|7.808235|12.290478|0.248797|36.858105| |2.194514|2.604432|3.059100|3.932224|4.979146|0.131645|4.181193|7.827166|12.672592|17.879263|7.891176|8.105000|0.202925|12.371989|36.858105| |2.043607|2.368910|2.668169|3.204026|3.670106|0.106878|3.014767|4.600643|7.387743|8.521545|6.140497|7.368985|0.152041|12.316500|7.528779|36.858105| |1.902444|2.203339|2.403360|2.875760|3.127375|0.087542|2.624235|3.909659|6.821696|6.465004|4.279036|4.827646|0.113104|7.441523|6.037832|12.485604|36.858105| |1.668749|1.899012|2.062685|2.415702|2.644883|0.073636|2.322229|3.240417|5.739301|5.296439|3.613945|4.353092|0.108640|6.467713|5.097100|7.669488|12.643896|53.358707| |1.594817|1.809548|1.937460|2.254752|2.416083|0.066581|2.139009|2.922110|5.302229|4.578722|3.085416|3.559998|0.091012|4.914000|4.269007|5.667502|9.169781|25.667047|0.500000| |1.596445|1.796715|1.948519|2.241577|2.454862|0.069471|2.171907|2.920268|5.068393|4.776746|3.429351|4.226248|0.105037|5.802841|4.353428|7.022477|9.188894|25.663570|0.328177|0.500000| |1.644227|1.870228|2.061333|2.429255|2.736920|0.075201|2.468818|3.427355|6.110681|5.722664|3.836401|4.854214|0.129323|7.465578|6.002343|6.475514|7.594134|17.222429|0.254710|0.255577|36.858105| |1.730210|1.964903|2.216897|2.611436|3.070599|0.086220|2.778591|3.851367|6.485054|6.976827|4.995984|7.454800|0.200231|12.392610|7.418228|7.572071|6.489523|10.484676|0.157809|0.196402|12.501109|36.858105| |1.922223|2.139854|2.490150|2.801291|3.424150|0.106847|3.072580|3.795339|5.716018|6.979190|7.374773|12.514495|0.252641|7.221268|5.012406|6.069636|4.172627|5.309978|0.089800|0.112763|4.093473|5.842107|36.858105| |1.783407|1.973227|2.241201|2.500211|2.931280|0.089841|2.619947|3.254035|5.077059|5.728020|5.348579|7.903543|0.174527|6.453893|4.354759|6.276585|4.439564|5.831000|0.097479|0.131280|4.270780|5.845186|15.820313|73.516695| |1.927301|2.108427|2.473705|2.695413|3.306652|0.105388|3.081405|3.444268|5.161167|5.936665|6.333498|7.850860|0.198991|4.964279|4.006143|4.326241|3.242488|4.157772|0.073026|0.087692|3.211165|4.255293|14.047353|15.166085|53.358707| |1.752356|1.879121|2.155972|2.286251|2.691480|0.084597|2.547050|2.745034|4.240194|4.479455|4.318366|5.026947|0.132763|3.751241|3.104481|3.485395|2.765480|3.628133|0.064979|0.078169|2.745239|3.449074|7.787116|12.303457|17.975146|36.858105| |1.823245|1.932879|2.197096|2.278088|2.611797|0.083507|2.426743|2.587036|3.997349|4.095196|3.872358|4.111017|0.104040|3.261276|2.771994|3.240794|2.607125|3.332739|0.060463|0.071801|2.432990|2.925363|5.759381|9.848279|10.542185|12.347465|36.858105| |1.850160|1.976437|2.228467|2.331964|2.642601|0.084489|2.392937|2.653360|4.108693|4.234796|3.971046|4.255041|0.103333|3.483552|2.891397|3.630384|2.883671|3.634647|0.065563|0.079174|2.585461|3.085702|6.072668|11.297179|9.508798|8.897982|17.622036|0.500000| |2.041565|2.142526|2.471820|2.498213|2.872100|0.094396|2.683113|2.719194|4.140066|4.184730|3.988435|3.842354|0.097899|3.034439|2.710470|2.999003|2.429617|3.042264|0.055714|0.064092|2.229673|2.645205|4.806608|7.652620|8.776789|7.471202|12.567924|0.246820|36.858105| |2.313272|2.428210|2.804608|2.790438|3.144461|0.106202|2.834245|2.900588|4.378479|4.376587|4.118383|3.718769|0.091853|3.034101|2.762157|3.115445|2.523026|3.070137|0.056446|0.064110|2.207060|2.570757|4.374187|7.060560|7.094403|5.253275|7.575661|0.204522|13.716796|36.858105| |2.607389|2.673288|3.110428|2.952453|3.261211|0.111067|2.982812|2.863547|4.329862|4.131094|3.735327|3.220904|0.081489|2.690914|2.559722|2.734942|2.273790|2.760860|0.051370|0.056859|1.996769|2.286261|3.522339|5.642960|5.557759|3.980141|5.019270|0.133210|7.905884|13.735833|36.858105| |2.499121|2.512961|2.935933|2.744117|3.056685|0.101515|2.952545|2.657851|4.057215|3.780264|3.362744|2.934456|0.076972|2.440781|2.360366|2.405505|2.030947|2.511797|0.046983|0.051565|1.848504|2.116116|3.159368|5.009166|5.124480|3.730685|4.429640|0.110788|6.840551|7.934317|13.757313|36.858105| |2.167526|2.201409|2.562326|2.466126|2.806484|0.091129|2.785248|2.516905|3.866101|3.654974|3.291403|2.993508|0.080419|2.440274|2.327666|2.349775|1.980511|2.495424|0.046540|0.051531|1.861066|2.156300|3.309904|5.204728|5.660801|4.320225|5.005250|0.116174|7.900471|6.875438|7.939450|13.730277|36.858105| |1.990697|2.059705|2.385023|2.371320|2.733839|0.088484|2.666040|2.544297|3.903725|3.825335|3.548562|3.383448|0.090414|2.689321|2.478668|2.579472|2.139639|2.717755|0.050231|0.056760|2.028663|2.391261|3.988725|6.255752|7.319552|6.121539|7.519685|0.154863|13.668339|7.941751|6.876958|7.935304|13.761990|36.858105| |1.626494|1.698247|1.891998|1.935523|2.164888|0.067640|2.045150|2.141369|3.385746|3.301935|2.956472|3.143691|0.082135|2.639529|2.286075|2.645272|2.225506|2.905992|0.053622|0.063047|2.113335|2.464783|4.100530|7.428182|6.802792|7.508340|12.429445|0.253597|7.651305|5.421580|4.072590|3.787447|4.350070|6.122255|53.358707| |1.599445|1.658359|1.852029|1.879312|2.106691|0.065595|2.025602|2.063432|3.267521|3.148234|2.802852|2.940442|0.078591|2.456240|2.168866|2.414196|2.048968|2.687068|0.049841|0.057765|1.979690|2.304768|3.709083|6.487161|6.322346|6.796478|9.224740|0.182336|7.335999|5.017214|3.996312|3.940215|4.805825|6.981698|25.712692|0.500000| |1.470160|1.541496|1.701218|1.760624|1.959615|0.060061|1.856803|1.981635|3.180254|3.070530|2.683168|2.974308|0.078717|2.572011|2.193319|2.575574|2.207659|2.961452|0.054770|0.065320|2.154393|2.495712|3.890318|7.486885|6.038202|6.509711|7.471524|0.188390|4.946878|3.921705|3.121904|2.933505|3.293411|4.274072|17.318261|0.259512|36.858105| |1.631740|1.685436|1.850208|1.865117|2.037492|0.063626|1.907131|1.991742|3.170512|3.009764|2.631112|2.707437|0.069925|2.353030|2.073349|2.431076|2.084508|2.689621|0.050189|0.058196|1.919336|2.181077|3.358598|6.159941|5.224730|4.924110|7.592713|0.201081|6.383885|5.396139|4.171926|3.758139|4.046256|5.122258|17.281864|0.260709|7.777869|36.858105| |17.566955|8.785743|5.457918|4.046837|3.156237|0.086097|2.915048|2.646943|4.561120|3.143610|2.220540|1.890530|0.049761|1.849641|2.013783|1.902379|1.797644|2.155554|0.042346|0.042120|1.551526|1.615093|1.763247|2.939675|2.392795|1.612192|1.679050|0.047518|1.858418|2.093311|2.328455|2.226392|1.950854|1.807111|2.059311|0.041261|1.377564|1.526305|0.500000| |17.544879|8.773934|6.767556|4.499767|3.588888|0.097218|3.502426|2.865312|4.856728|3.356273|2.387065|2.000977|0.053271|1.918578|2.110293|1.925106|1.790070|2.161761|0.042161|0.042224|1.581827|1.670190|1.852450|3.040176|2.549937|1.706137|1.761392|0.049166|1.976913|2.206981|2.496127|2.454639|2.150837|1.958669|2.147016|0.043398|1.427002|1.573074|0.302029|0.500000| |17.530513|8.768806|6.767684|4.493370|3.612257|0.103516|3.292824|2.890818|4.776584|3.474253|2.531214|2.109382|0.055126|2.012911|2.167149|2.066807|1.902617|2.268847|0.044060|0.044609|1.635054|1.733343|1.984663|3.274933|2.733063|1.837508|1.939814|0.054680|2.202541|2.538635|2.928450|2.786957|2.360864|2.143066|2.354738|0.047251|1.548601|1.750676|0.301887|0.301532|0.500000| |8.863036|17.526855|8.864269|6.907043|4.509885|0.112620|4.018396|3.688325|6.556985|4.062457|2.711151|2.246395|0.059175|2.234699|2.550541|2.264670|2.144400|2.534983|0.049660|0.048631|1.844937|1.916415|2.012355|3.310407|2.679974|1.755245|1.783701|0.050588|1.950145|2.170443|2.349589|2.233047|1.996232|1.884011|2.145947|0.042828|1.445635|1.556624|0.212915|0.210852|0.172916|0.500000| |8.857901|17.511022|8.851085|6.880972|4.552991|0.122552|3.709991|3.741636|6.365014|4.273715|2.924748|2.400871|0.061704|2.386023|2.651529|2.503334|2.344640|2.711182|0.052825|0.052346|1.930154|2.012434|2.182827|3.616339|2.891703|1.897100|1.967026|0.056572|2.162363|2.478735|2.693638|2.470191|2.157672|2.043573|2.350361|0.046462|1.570749|1.725722|0.213024|0.172920|0.210433|0.304074|0.500000| |6.867039|8.855801|17.471657|8.829031|6.865417|0.210417|5.496733|4.592459|6.981019|5.254578|3.830735|2.930754|0.075396|2.723189|3.016804|2.743319|2.419753|2.818964|0.053660|0.054905|2.055842|2.239415|2.653969|4.229172|3.641274|2.337461|2.426952|0.068370|2.796124|3.265198|3.738291|3.464829|2.921230|2.680397|2.819648|0.056262|1.834861|2.038465|0.140466|0.168646|0.203599|0.173778|0.211982|0.500000| |6.915546|8.888788|17.538065|8.812874|6.672939|0.168503|6.644240|4.472193|7.203320|4.856847|3.373528|2.655021|0.070730|2.497567|2.861101|2.431648|2.196335|2.616889|0.050252|0.050564|1.949393|2.104317|2.358332|3.753840|3.237286|2.083261|2.102766|0.058425|2.374690|2.639199|2.949326|2.887107|2.552872|2.345710|2.483010|0.050095|1.641934|1.773342|0.141067|0.205080|0.170044|0.212168|0.174037|0.303620|0.500000| |4.512375|6.784812|8.820650|17.581173|8.866094|0.174504|6.851170|6.971901|12.839417|6.383511|3.842693|3.018231|0.079559|3.035324|3.764289|2.956891|2.742564|3.184462|0.061386|0.059794|2.375954|2.505221|2.538556|4.068146|3.306149|2.078752|2.048067|0.058064|2.211984|2.421034|2.536555|2.397253|2.194816|2.120340|2.400776|0.047724|1.624085|1.696477|0.108022|0.119460|0.110714|0.204967|0.168523|0.173191|0.212097|0.500000| |4.577268|6.994642|8.887536|17.508169|8.866800|0.212005|5.461919|7.174873|11.459342|7.150931|4.432137|3.370583|0.084661|3.407329|4.057947|3.525648|3.191637|3.540796|0.067517|0.066804|2.550244|2.705016|2.867095|4.625204|3.673786|2.296764|2.312290|0.066913|2.504162|2.836311|2.948558|2.663871|2.383928|2.325161|2.670746|0.052372|1.791303|1.905695|0.109841|0.112092|0.120033|0.175639|0.211727|0.209844|0.173703|0.304800|0.500000| |3.299122|4.025275|5.431253|6.807650|8.788103|0.173569|17.584105|6.961856|11.599477|6.805466|4.239037|3.323909|0.093497|3.137081|3.958178|2.796544|2.513684|3.059233|0.058185|0.057916|2.404867|2.642284|2.727806|4.219209|3.667185|2.265380|2.151406|0.059192|2.335136|2.447440|2.554917|2.532717|2.410550|2.321884|2.509703|0.050729|1.696843|1.726619|0.079390|0.094823|0.085579|0.114123|0.099015|0.129579|0.169692|0.205754|0.141000|0.500000| |2.903197|3.388488|4.583829|5.419567|8.710530|0.209947|17.526078|7.073596|9.933115|8.197137|5.689752|4.219164|0.122056|3.643773|4.459464|3.103723|2.656562|3.256121|0.060661|0.062421|2.598352|3.004480|3.389481|5.017118|4.696216|2.795019|2.590844|0.070019|2.846227|2.920073|3.012848|3.025607|2.946357|2.862826|2.948015|0.059899|1.969744|1.983672|0.069986|0.082348|0.078990|0.090919|0.086435|0.123134|0.136658|0.140498|0.122704|0.301762|0.500000| |3.789746|4.416747|6.621000|6.680113|8.759506|0.214002|17.603723|5.558519|8.291819|6.096685|4.322629|3.277671|0.090605|2.928372|3.434018|2.672300|2.339605|2.836649|0.053628|0.054768|2.188530|2.448258|2.810812|4.302426|3.940049|2.451220|2.379147|0.064619|2.691800|2.867028|3.123437|3.168294|2.939894|2.726124|2.754673|0.056125|1.818999|1.904191|0.087443|0.110985|0.101965|0.115815|0.105650|0.171782|0.229162|0.166851|0.137396|0.301060|0.302438|0.500000| |2.639925|3.082136|3.831910|4.558709|6.099165|0.220651|4.618258|6.443139|8.357714|12.281742|17.538527|8.715011|0.175035|6.456358|6.086797|6.192413|4.255421|4.725226|0.082956|0.093056|3.483712|4.324845|6.989489|9.588117|8.382400|4.392062|4.231647|0.124740|4.471570|4.938155|4.391214|3.731183|3.517673|3.784729|4.302342|0.081941|2.804317|2.872855|0.065379|0.069319|0.076010|0.078138|0.087982|0.117035|0.096110|0.105824|0.132091|0.106407|0.133955|0.114081|0.500000| |2.525397|2.904422|3.713426|4.365326|6.546666|0.220849|5.892671|6.698004|8.559630|12.288941|17.584911|8.707329|0.224907|5.680139|5.986582|4.571065|3.453350|4.139048|0.073753|0.080995|3.274620|4.169355|6.309064|8.151162|8.699339|4.384064|3.886578|0.105685|4.194154|4.221685|3.958014|3.716650|3.699910|3.918145|4.052870|0.080261|2.658089|2.625186|0.062083|0.068529|0.071694|0.075143|0.079290|0.109954|0.099302|0.105269|0.114867|0.129024|0.198879|0.140081|0.302376|0.500000| |2.058061|2.411259|2.822502|3.548211|4.488205|0.116049|4.115518|6.625625|11.513276|12.323899|6.380806|6.898920|0.206209|8.738531|17.517122|5.506920|4.797383|6.124002|0.107913|0.108281|5.774774|7.120297|4.495307|6.926875|5.104917|2.948936|2.582109|0.073333|2.524044|2.519772|2.356966|2.223447|2.226302|2.363803|2.943241|0.057658|2.091616|1.946685|0.052572|0.055720|0.056154|0.066368|0.067087|0.076548|0.075248|0.097078|0.098099|0.111357|0.126482|0.093472|0.135729|0.152152|0.500000| |2.209634|2.654156|3.038238|3.970749|4.665860|0.119448|3.845002|7.339071|13.996349|12.491715|5.832413|5.727012|0.144151|8.585865|17.659977|7.097103|6.791925|7.381112|0.130803|0.122467|6.028094|6.208796|4.061349|6.623614|4.532090|2.692268|2.469378|0.072197|2.422989|2.506700|2.350906|2.160622|2.106092|2.217420|2.826779|0.054665|2.002428|1.916995|0.056854|0.058601|0.060021|0.073195|0.075996|0.081714|0.078010|0.108593|0.117454|0.104676|0.108685|0.088673|0.139814|0.129549|0.303910|0.500000| |2.294581|2.704857|3.071309|3.754891|4.260590|0.126420|3.313580|5.295120|8.198158|9.576040|6.779610|6.662621|0.137472|8.744156|7.116070|17.578214|9.027081|7.629801|0.127237|0.143349|4.881971|5.502405|5.492745|9.523654|5.694725|3.366952|3.252263|0.101539|3.124508|3.375266|3.001249|2.589250|2.469974|2.667752|3.579763|0.066833|2.493889|2.460724|0.058964|0.059346|0.064666|0.070954|0.080521|0.088439|0.075992|0.093715|0.118833|0.084227|0.092467|0.081549|0.210452|0.136317|0.141502|0.193274|0.500000| |1.926193|2.190455|2.447701|2.838705|3.217746|0.095945|2.708437|3.793595|6.065376|6.734321|5.389658|6.809738|0.141730|8.779677|5.509189|17.616942|8.908094|9.347804|0.143822|0.204245|5.635885|6.741083|6.849578|14.625309|6.398889|3.896717|3.651980|0.117782|3.239576|3.328089|2.828949|2.462281|2.424557|2.718296|4.033795|0.073628|2.923381|2.710541|0.049963|0.050450|0.054675|0.057755|0.064289|0.070977|0.062324|0.072407|0.085956|0.069375|0.077915|0.068142|0.157989|0.116701|0.122918|0.141427|0.303259|0.500000| |1.980183|2.326688|2.526871|3.096298|3.316778|0.089966|2.763347|4.296250|7.891548|6.789455|4.145854|4.404428|0.106619|6.617720|6.538730|8.703449|17.645155|12.443308|0.225114|0.181147|6.947662|5.697742|3.650892|6.596190|4.002824|2.502334|2.363420|0.071381|2.253224|2.353086|2.167254|1.953885|1.895016|2.016459|2.762389|0.052505|1.996321|1.909761|0.052053|0.051743|0.054374|0.063708|0.068787|0.069358|0.064002|0.083637|0.096095|0.074792|0.076722|0.067639|0.112279|0.094095|0.143726|0.237987|0.214602|0.173043|0.500000| |1.871320|2.151285|2.302862|2.699711|2.847913|0.080518|2.389985|3.405989|5.939313|5.383784|3.690585|4.015342|0.094894|5.441833|4.602064|8.780950|17.628762|12.364538|0.222918|0.224207|5.579383|4.889221|3.699535|7.182323|4.031234|2.601742|2.522239|0.078553|2.349270|2.470424|2.226634|1.971555|1.907511|2.054869|2.971193|0.055492|2.169467|2.082307|0.049501|0.048570|0.052220|0.057927|0.064386|0.064794|0.058104|0.071247|0.084317|0.063571|0.066430|0.060172|0.106176|0.084746|0.105502|0.141543|0.212568|0.217284|0.301867|0.500000| |1.694678|1.945247|2.140159|2.561572|2.867881|0.076887|2.590459|3.690917|6.865644|5.970543|3.753527|4.446707|0.120599|6.683456|6.547783|5.724474|6.966225|12.425602|0.223947|0.181012|17.624185|8.728182|3.609088|6.433045|3.982033|2.492548|2.234625|0.065408|2.094073|2.093061|1.925649|1.792194|1.792325|1.925885|2.648163|0.051047|1.958756|1.781705|0.044456|0.045349|0.046402|0.053851|0.055625|0.058469|0.056286|0.070773|0.074542|0.071300|0.075150|0.063086|0.093669|0.089716|0.181661|0.200472|0.129050|0.131596|0.209655|0.143299|0.500000| |1.504870|1.692191|1.849713|2.141506|2.387747|0.065707|2.200676|2.898756|5.190266|4.686125|3.230768|4.034316|0.111355|5.449167|4.576398|4.870304|5.576301|12.356473|0.223126|0.223755|17.629740|8.767501|3.600563|6.794825|3.970405|2.569196|2.269412|0.066489|2.064153|2.021343|1.832174|1.711122|1.736208|1.895320|2.737129|0.052529|2.083472|1.824782|0.039623|0.040388|0.041590|0.046489|0.048333|0.051265|0.048980|0.058493|0.061935|0.059875|0.064483|0.054833|0.082285|0.079107|0.128362|0.126567|0.107567|0.126738|0.143267|0.126461|0.301311|0.500000| |1.641548|1.840623|2.064500|2.376980|2.764423|0.079261|2.519704|3.311070|5.499829|5.837380|4.516528|6.876096|0.181721|8.824312|5.460906|6.778064|5.684587|9.438987|0.144723|0.207497|8.897683|17.557712|6.505560|12.946132|6.261657|3.840768|3.191208|0.094280|2.780072|2.652915|2.313541|2.135483|2.199157|2.485391|3.675787|0.069382|2.800917|2.356936|0.042660|0.044006|0.046034|0.049546|0.052461|0.058609|0.054509|0.062821|0.068439|0.066007|0.075635|0.062866|0.113119|0.107172|0.144521|0.130843|0.138565|0.196663|0.131786|0.128165|0.172953|0.215440|0.500000| |1.685236|1.905660|2.161206|2.535734|3.018390|0.083621|2.832078|3.766184|6.404429|6.654328|4.722277|6.796116|0.216220|8.775545|6.915950|5.495680|4.870928|7.633686|0.127114|0.144120|8.998699|17.566757|5.239384|8.776020|5.573867|3.326336|2.766660|0.078926|2.533219|2.428123|2.188105|2.064011|2.126825|2.346556|3.203664|0.062110|2.381535|2.067103|0.043622|0.045598|0.046713|0.051930|0.053571|0.060248|0.057804|0.068315|0.071436|0.075469|0.086841|0.069004|0.109699|0.115424|0.218465|0.156562|0.122971|0.138210|0.127766|0.107586|0.213066|0.212716|0.303403|0.500000| |2.030141|2.221559|2.656756|2.885454|3.646835|0.117488|3.494118|3.703752|5.451190|6.299592|6.934834|7.493882|0.206712|4.666829|4.054542|3.945972|3.018017|3.842035|0.068261|0.079315|3.014651|3.937557|9.330735|10.868043|26.065623|9.059038|6.341940|0.153935|6.264350|5.142371|4.271080|4.095925|4.600789|5.759485|5.954606|0.118609|3.801610|3.474968|0.050998|0.055250|0.058686|0.057550|0.061396|0.079961|0.071831|0.071932|0.078556|0.083222|0.111862|0.091380|0.177436|0.222599|0.107553|0.092675|0.108870|0.113304|0.078064|0.076195|0.078225|0.075970|0.112887|0.108913|0.500000| |1.689975|1.796241|2.061595|2.162938|2.545627|0.079191|2.481560|2.562808|3.988691|4.088128|3.835787|4.318856|0.120981|3.285755|2.828898|2.992017|2.443525|3.241679|0.058799|0.069140|2.492791|3.086624|5.859021|9.145660|12.584248|17.591051|8.751717|0.173804|6.711673|4.638512|3.741679|3.720843|4.566020|6.591924|9.300712|0.199009|5.971251|4.516140|0.043171|0.046122|0.049148|0.046774|0.049888|0.061828|0.056103|0.055029|0.059536|0.061502|0.076422|0.067006|0.105468|0.112987|0.076455|0.068428|0.080658|0.090193|0.062491|0.063770|0.063694|0.065584|0.093764|0.085251|0.229070|0.500000| |1.627604|1.748323|1.979544|2.115100|2.455924|0.075676|2.316512|2.561360|4.028817|4.190141|3.876712|4.773074|0.126753|3.762755|3.024227|3.528423|2.841937|3.831792|0.068399|0.084366|2.892915|3.634716|7.508467|14.025326|12.698255|17.685259|8.770005|0.216777|5.477401|4.255580|3.327588|3.104766|3.493000|4.618587|9.300284|0.164829|7.324959|4.613325|0.041916|0.043941|0.047142|0.045697|0.049277|0.058947|0.053009|0.053996|0.059501|0.058146|0.070150|0.061464|0.108201|0.105566|0.080123|0.073492|0.091700|0.112583|0.070398|0.074454|0.071540|0.076301|0.117461|0.096413|0.183543|0.302031|0.500000| |2.306727|2.450194|2.787789|2.818814|3.122086|0.104723|2.728919|2.945253|4.467448|4.486452|4.166378|3.814082|0.091394|3.205597|2.863069|3.442876|2.765182|3.309642|0.060662|0.069533|2.326577|2.688302|4.527239|7.621827|6.780046|4.929702|7.028430|0.227187|8.896249|17.700188|8.931587|5.649384|4.951986|5.639643|6.958392|0.124362|3.889611|5.313088|0.058445|0.060295|0.070132|0.060831|0.070835|0.089647|0.071471|0.067837|0.081683|0.066123|0.077145|0.075483|0.144235|0.112357|0.071233|0.072926|0.105141|0.104292|0.070719|0.076337|0.060927|0.058838|0.077401|0.069124|0.129810|0.115775|0.116829|0.500000| |2.914069|2.958440|3.395362|3.135741|3.332334|0.113379|2.976006|2.877448|4.376925|4.049591|3.534035|2.997788|0.075310|2.587139|2.499336|2.686171|2.264307|2.714902|0.050843|0.055596|1.941898|2.187188|3.180890|5.180926|4.776860|3.359589|4.097668|0.114186|5.635876|8.922100|17.732767|8.916070|5.645659|4.955266|4.678715|0.092458|2.747789|3.621614|0.072033|0.076121|0.093185|0.070872|0.083807|0.116569|0.087595|0.073999|0.088136|0.071207|0.081190|0.087159|0.117087|0.101602|0.063422|0.064822|0.083402|0.076385|0.060410|0.062210|0.052396|0.049352|0.060931|0.057819|0.100911|0.087164|0.080702|0.215990|0.500000| |2.664108|2.608241|3.025955|2.733608|2.972904|0.097052|2.923689|2.535024|3.911407|3.509295|3.017161|2.613987|0.069232|2.223354|2.193519|2.191838|1.882442|2.329846|0.043914|0.047551|1.716065|1.939205|2.735431|4.373604|4.304787|3.099312|3.544408|0.090769|4.936573|5.644451|8.916886|17.735810|8.912948|5.647069|4.274557|0.090862|2.526644|3.162295|0.065573|0.073491|0.083588|0.064049|0.070287|0.099688|0.083969|0.066606|0.072857|0.070121|0.081783|0.089464|0.091691|0.092623|0.057747|0.056377|0.065703|0.061600|0.050832|0.050869|0.046614|0.044233|0.053907|0.052800|0.095689|0.086563|0.073624|0.124259|0.214836|0.500000| |2.065122|2.075515|2.400142|2.294856|2.595454|0.082317|2.652828|2.328509|3.621450|3.336930|2.927988|2.689967|0.073850|2.223319|2.148069|2.118709|1.812881|2.307251|0.043285|0.047513|1.734411|1.995429|2.914141|4.610887|4.895446|3.736568|4.083664|0.096119|5.631867|4.954604|5.646463|8.905891|17.734433|8.931204|5.092190|0.117401|2.961690|3.476233|0.051785|0.057677|0.062057|0.052731|0.055947|0.074842|0.067611|0.057492|0.060983|0.064480|0.078304|0.078606|0.084660|0.092069|0.057880|0.054209|0.061375|0.060269|0.048515|0.048410|0.046630|0.045252|0.056329|0.055293|0.111327|0.113538|0.086288|0.107530|0.124113|0.214796|0.500000| |1.813434|1.876759|2.157079|2.164428|2.497123|0.078968|2.480218|2.367707|3.677302|3.573946|3.263564|3.236365|0.088987|2.581191|2.368458|2.434715|2.040226|2.638938|0.048853|0.055320|1.992246|2.354598|3.842367|6.077800|7.138173|6.417638|6.908274|0.139353|8.827789|5.627216|4.950812|5.657651|8.979948|17.670540|8.514693|0.219850|4.551997|4.843250|0.046017|0.049870|0.053662|0.048230|0.051573|0.066116|0.059428|0.054532|0.058768|0.060786|0.074908|0.069931|0.093461|0.100134|0.063723|0.058730|0.068625|0.071380|0.053384|0.054195|0.052357|0.052227|0.068553|0.064977|0.155196|0.220761|0.135690|0.123534|0.107508|0.124531|0.217552|0.500000| |1.481080|1.563612|1.719110|1.794952|1.990302|0.060899|1.859504|2.037623|3.277731|3.184256|2.770075|3.123637|0.081039|2.754065|2.300959|2.823685|2.416723|3.247692|0.059781|0.072737|2.323045|2.682038|4.159436|8.519519|6.068561|6.149021|6.984450|0.206147|4.579353|3.843049|3.027716|2.766471|3.003819|3.791233|12.297906|0.181310|17.644157|6.858293|0.038644|0.039709|0.043252|0.040764|0.044574|0.051391|0.045733|0.045984|0.051224|0.047321|0.054519|0.050220|0.081091|0.074460|0.060328|0.058595|0.075215|0.091326|0.059836|0.066513|0.058022|0.062327|0.084933|0.069768|0.103273|0.144488|0.206581|0.111021|0.075413|0.066582|0.074553|0.107749|0.500000| |1.384381|1.440042|1.574563|1.616257|1.777210|0.054093|1.693215|1.787463|2.893661|2.727884|2.336749|2.545892|0.067884|2.249496|1.952195|2.265918|1.983592|2.669905|0.049958|0.058710|1.935561|2.198034|3.189002|6.086084|4.844805|4.808256|5.509596|0.142726|4.146820|3.425014|2.828987|2.694579|3.004241|3.745789|12.318136|0.218967|17.658091|7.452505|0.036204|0.037379|0.040531|0.037581|0.040745|0.047062|0.042329|0.041607|0.045647|0.043252|0.049586|0.046347|0.067763|0.064542|0.051952|0.050038|0.061266|0.070597|0.050207|0.054561|0.049234|0.052368|0.067803|0.058555|0.087758|0.129088|0.144749|0.094207|0.070098|0.065515|0.076467|0.111010|0.299491|0.500000| |1.436181|1.510359|1.675141|1.743937|1.960112|0.059682|1.879397|1.996368|3.209107|3.110643|2.719000|3.079698|0.083517|2.633112|2.241847|2.562682|2.196663|2.989817|0.055158|0.065811|2.218880|2.602376|4.039152|7.642275|6.395385|7.151197|6.662098|0.159842|4.578268|3.577376|2.913539|2.803424|3.211705|4.174341|12.212662|0.227482|17.688618|5.640034|0.037327|0.038920|0.041788|0.039540|0.042515|0.049860|0.045192|0.044914|0.048951|0.047809|0.055974|0.050930|0.077097|0.075533|0.060146|0.056388|0.068078|0.080026|0.055361|0.059183|0.055895|0.060025|0.081719|0.070018|0.111961|0.196927|0.240349|0.096694|0.071126|0.067508|0.081733|0.129583|0.298774|0.301108|0.500000| 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