Version2.2 2021-02-06T07:33:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)[C@@H]1[C@@H]2C[C@@H]3C(=C)c4cccc(c4C(=O)[C@@]3(C(=O)[C@@]2(C(=C(C1=O)C(=O)N)[O-])O)Cl)O C34881891 RHF 6-31G(d) (6D,7F) C[NH+](C)[C@@H]1[C@@H]2C[C@@H]3C(=C)c4cccc(c4C(=O)[C@@]3(C(=O)[C@@]2(C(=C(C1=O)C(=O)N)[O-])O)Cl)O C01[X(C22H21Cl1N2O7)] 153 C1 526 NC(=O)C1=C([O-])[C@@]2([C@H]([C@H](C1=O)[NH+](C)C)C[C@H]1[C@](C2=O)(Cl)C(=O)c2c(C1=C)cccc2O)O NC(=O)C1=C([O-])[C@@]2([C@H]([C@H](C1=O)[NH+](C)C)C[C@H]1[C@](C2=O)(Cl)C(=O)c2c(C1=C)cccc2O)O C[NH+](C)[C@@H]1[C@@H]2C[C@@H]3C(=C)c4cccc(O)c4C(=O)[C@]3(Cl)C(=O)[C@]2(O)C(=C(C(N)=O)C1=O)[O-] InChIKey=YFBUKDCTMVDVKE-SSJIEYJDSA-N InChI=1S/C22H21ClN2O7/c1-8-9-5-4-6-12(26)13(9)17(28)21(23)10(8)7-11-15(25(2)3)16(27)14(19(24)30)18(29)22(11,32)20(21)31/h4-6,10-11,15,26,29,32H,1,7H2,2-3H3,(H2,24,30)/t10-,11+,15-,21+,22-/m1/s1 InChI=1/C22H21ClN2O7/c1-8-9-5-4-6-12(26)13(9)17(28)21(23)10(8)7-11-15(25(2)3)16(27)14(19(24)30)18(29)22(11,32)20(21)31/h4-6,10-11,15,26,29,32H,1,7H2,2-3H3,(H2,24,30)/t10-,11+,15-,21+,22-/m1/s1/f/h29h,25H,24H2 C[NH+](C)[C@@H]1[C@@H]2C[C@@H]3C(=C)c4cccc(c4C(=O)[C@@]3(C(=O)[C@@]2(C(=C(C1=O)C(=O)N)[O-])O)Cl)O C01[X(C22H21Cl1N2O7)] 153 C01 526 NC(=O)C1=C([O-])[C@@]2([C@H]([C@H](C1=O)[NH+](C)C)C[C@H]1[C@](C2=O)(Cl)C(=O)c2c(C1=C)cccc2O)O C=C1[C]2[CH][CH][CH][C]([C]2C(=O)[C@]2([C@@H]1C[C@H]1[C@@H]([NH](C)C)[C]([O])[C](C(=O)[C@]1(C2=O)O)C(=O)N)Cl)O C[NH](C)[C@H]1[C]([O])[C](C(N)=O)C(=O)[C@]2(O)[C@H]1C[C@@H]3C(=C)[C]4[CH][CH][CH][C](O)[C]4C(=O)[C@]3(Cl)C2=O InChIKey=GCMWKNKXZDBPIM-SSJIEYJDSA-N InChI=1S/C22H21ClN2O7/c1-8-9-5-4-6-12(26)13(9)17(28)21(23)10(8)7-11-15(25(2)3)16(27)14(19(24)30)18(29)22(11,32)20(21)31/h4-6,10-11,15,25-26,32H,1,7H2,2-3H3,(H2,24,30)/t10-,11+,15-,21+,22-/m1/s1 InChI=1/C22H21ClN2O7/c1-8-9-5-4-6-12(26)13(9)17(28)21(23)10(8)7-11-15(25(2)3)16(27)14(19(24)30)18(29)22(11,32)20(21)31/h4-6,10-11,15,25-26,32H,1,7H2,2-3H3,(H2,24,30)/t10-,11+,15-,21+,22-/m1/s1/f/h24H2 3843.6286358290 -1937.6933755 1-A 10903.0816 120 406 526 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.81873 -20.57666 -20.57559 -20.57435 -20.56721 -20.53386 -20.52771 -20.47927 -15.73903 -15.53333 -11.35278 -11.34807 -11.34457 -11.33281 -11.33099 -11.32633 -11.32598 -11.31909 -11.31781 -11.31566 -11.31549 -11.28713 -11.27964 -11.27064 -11.26715 -11.26625 -11.25375 -11.24503 -11.24502 -11.23307 -11.22722 -11.19507 -10.55176 -8.02106 -8.01771 -8.01752 -1.43729 -1.42468 -1.40342 -1.40000 -1.39526 -1.36692 -1.35713 -1.34501 -1.20697 -1.16803 -1.16593 -1.14866 -1.10830 -1.07006 -1.05778 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.06974 0.11413 0.12443 0.14379 0.15736 0.17091 0.19346 0.19536 0.20852 0.21114 0.21674 0.23106 0.23383 0.24607 0.24637 0.25158 0.26226 0.26908 0.27588 0.27786 0.28348 0.28694 0.29004 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1.21112 1.21732 1.22637 1.23228 1.23416 1.23514 1.24202 1.25431 1.26612 1.27720 1.27790 1.28187 1.29135 1.29514 1.30159 1.30516 1.31655 1.32705 1.33579 1.34159 1.35330 1.35797 1.36351 1.37094 1.37999 1.38906 1.39850 1.41381 1.41738 1.42516 1.42940 1.44125 1.45183 1.45338 1.46343 1.47217 1.48485 1.48941 1.50543 1.50977 1.51737 1.52470 1.53752 1.53877 1.55024 1.56343 1.57075 1.57833 1.59546 1.60931 1.61652 1.62359 1.62898 1.63879 1.65021 1.66530 1.68230 1.69687 1.70331 1.71309 1.73312 1.73606 1.73813 1.74891 1.76036 1.76438 1.77127 1.79851 1.80013 1.82496 1.83694 1.84896 1.87001 1.87855 1.89959 1.91373 1.93696 1.94179 1.95565 1.96667 1.98264 1.98408 1.99596 2.00665 2.00899 2.02193 2.03031 2.04035 2.04708 2.05219 2.05527 2.06411 2.06982 2.07175 2.08112 2.08706 2.09329 2.10636 2.11061 2.12982 2.13469 2.14849 2.16095 2.16448 2.17478 2.18035 2.18498 2.19007 2.19486 2.19572 2.20429 2.21030 2.21668 2.22436 2.23252 2.24513 2.24774 2.25382 2.26938 2.27205 2.29125 2.29964 2.30267 2.31084 2.32132 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28.2861 10.7934 6.6036 2.4763 39.0975 16.2307 21.1602 39.2585 46.3241 3.3969 140.1560 97.1188 66.8870 17.5907 14.2374 15.3351 15.0858 14.1745 16.0657 4.2541 9.5997 2.8713 44.4033 38.8334 65.2997 45.9716 21.3795 42.8662 65.0750 43.0730 19.9719 107.8612 165.6941 104.7870 170.0173 9.9824 93.1359 32.5229 48.7073 4.4521 91.2131 110.1484 19.9192 18.1293 21.9123 22.6011 24.9217 70.5880 605.0638 127.3301 129.3998 135.0625 5.9531 245.3153 74.3864 558.4919 284.5883 30.5828 4.1881 25.3610 8.8080 29.0990 13.9649 1.9277 0.7311 7.9918 16.0193 15.5452 5.4544 10.2069 0.1815 7.9797 10.7020 139.4730 30.9046 74.6577 235.4597 127.6494 2.1085 1.0296 4.1967 5.8196 0.6325 0.9007 0.9568 1.5436 1.8861 3.1415 1.6998 0.9885 0.5399 1.6434 1.0236 1.2432 0.7922 1.2571 0.1793 1.3183 0.3223 0.9102 1.3843 4.8828 2.7264 0.5155 2.2932 1.4903 0.8659 0.8365 1.0012 3.5653 3.9608 0.6281 0.9839 0.5051 9.7190 1.3443 1.1536 2.0587 3.1499 4.8274 1.3336 4.1692 6.3327 2.8382 3.4207 1.4919 1.6065 1.4828 5.4656 5.1258 3.2729 0.9801 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38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 6 7 1 6 6 1 6 1 6 6 1 6 6 6 6 6 6 6 6 6 8 6 6 8 6 6 6 6 8 6 8 7 8 8 17 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 15.99491 15.99491 34.96885 15.99491 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 10001.0968 13833.6414 15187.8864 0.99949 -0.02959 -0.01209 0.03034 0.99724 0.06771 0.01005 -0.06804 0.99763 1 0.00866 0.00626 0.00570 0.18045 0.13046 0.11883 47.54 59.05 78.44 98.32 112.16 123.87 140.15 146.45 165.75 191.30 209.48 224.95 242.09 260.35 279.56 313.76 325.52 343.17 347.32 398.19 400.70 413.73 418.58 435.19 462.07 475.61 485.93 512.69 535.50 551.05 569.52 611.16 630.53 659.18 673.81 677.54 705.54 726.83 734.75 741.32 753.39 773.72 790.23 807.26 842.43 847.16 878.00 887.27 896.48 928.63 952.07 989.57 1015.88 1058.11 1065.35 1094.65 1124.27 1155.24 1162.67 1201.59 1223.63 1240.61 1253.10 1286.02 1312.13 1345.69 1354.24 1379.38 1433.87 1438.88 1446.17 1500.78 1532.37 1538.65 1550.53 1587.21 1595.37 1598.38 1611.55 1633.64 1642.20 1656.52 1699.35 1714.51 1749.59 1778.80 1782.76 1791.33 1815.57 1836.00 1866.82 1871.80 1886.04 1929.95 1958.64 1966.72 1985.84 2001.24 2030.75 2051.85 2060.88 2088.63 2120.70 2136.20 2142.35 2153.00 2166.36 2183.00 2190.66 2224.04 2246.68 2271.05 2279.92 2293.79 2323.22 2328.35 2341.68 2348.46 2364.71 2367.19 2370.53 2380.08 2402.65 2520.28 2536.92 2590.04 2599.88 2690.95 2746.27 2824.48 2853.14 2951.70 4642.16 4658.09 4666.61 4691.55 4705.16 4764.18 4767.00 4813.26 4815.07 4822.09 4846.83 4881.42 4889.86 4894.33 4900.99 4932.59 5148.88 5491.78 5675.09 5683.37 5831.36 0.445334 0.471650 0.472594 0.390574 -1937.248042 -1937.221725 -1937.220781 -1937.302802 2.750998D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE C[NH+](C)[C@@H]1[C@@H]2C[C@@H]3C(=C)c4cccc(c4C(=O)[C@@]3(C(=O)[C@@]2(C(=C(C1=O)C(=O)N)[O-])O)Cl)O C34881891 RHF 6-31G(d) (6D,10F) C1 460.103729 |X|Y|Z| 72.521590 56.224871 49.821685 58.785660 18 6 18 |36.858105| |12.769171|53.358707| |9.491608|25.522373|0.500000| |7.817518|17.510938|0.254106|36.858105| |7.750682|17.168996|0.264448|7.487289|36.858105| |7.766159|12.473264|0.188198|6.383045|17.654593|0.500000| |4.962635|9.961253|0.176710|6.430661|12.420375|0.249191|36.858105| |4.713387|9.083010|0.153201|7.079738|8.789626|0.213729|17.560360|0.500000| |4.074182|7.990815|0.165955|5.472609|7.384788|0.152221|12.402506|0.245591|36.858105| |3.104516|5.510428|0.112303|4.049847|4.831158|0.113191|7.425512|0.186431|12.369982|36.858105| |3.009472|5.283239|0.104308|4.142427|4.459217|0.108267|6.796599|0.200190|8.851392|17.568196|0.500000| |2.679092|4.594300|0.097716|3.391120|3.745297|0.088923|4.891453|0.125329|7.581569|12.590184|0.248357|36.858105| |2.424923|4.073741|0.086065|3.142582|3.163543|0.076854|3.961123|0.107931|5.481691|7.709364|0.206816|14.407251|36.858105| |2.536741|4.231852|0.092445|2.971246|3.476104|0.082881|4.207783|0.103044|6.086091|7.504518|0.153592|12.786493|7.687828|36.858105| |2.323676|3.785299|0.084227|2.672426|2.970348|0.071576|3.379721|0.084634|4.580151|5.048296|0.115156|7.633520|6.390880|13.822536|36.858105| |2.150786|3.402778|0.075949|2.352009|2.672910|0.065444|2.920708|0.072774|3.706739|3.889556|0.090970|5.049400|4.373058|7.942780|13.666798|36.858105| |2.148341|3.357324|0.074324|2.268768|2.713186|0.067108|2.936906|0.072022|3.597628|3.731511|0.086464|4.449554|3.706604|6.823997|7.906066|13.903365|36.858105| |2.320973|3.668833|0.080062|2.447574|3.095782|0.076475|3.444579|0.082551|4.214865|4.457179|0.099550|5.016457|3.897792|7.810404|6.814845|7.942747|13.623562|36.858105| |2.536329|4.151694|0.089627|2.810117|3.581101|0.086723|4.282275|0.101370|5.667668|6.582494|0.135065|7.598994|5.157797|13.461759|7.882488|6.865602|7.867845|13.541143|36.858105| |2.651050|4.338965|0.090218|2.925715|3.967901|0.098257|5.036340|0.117499|6.079617|7.461603|0.152778|6.554197|4.592478|7.571386|5.050226|4.484629|5.059234|7.664794|12.927079|36.858105| |2.523640|3.992253|0.082132|2.651705|3.684870|0.094868|4.406543|0.103984|4.745295|5.279372|0.119244|4.646104|3.574330|5.265819|3.994419|3.809935|4.506599|6.723968|8.085028|15.939231|73.516695| |2.807261|4.719358|0.094782|3.324434|4.357072|0.108232|6.315703|0.154415|7.515818|12.381020|0.247954|7.645537|5.356004|6.466430|4.405769|3.679529|3.800517|4.909891|7.350933|12.369487|14.421605|36.858105| |3.063014|5.061848|0.097055|3.507466|5.000674|0.132237|7.463933|0.184957|6.508071|7.523680|0.190161|4.935192|3.913754|4.366000|3.325588|2.925160|3.070782|3.845037|4.966649|7.545015|12.387745|12.366971|36.858105| |2.709338|4.295367|0.081722|3.045115|4.039981|0.112652|5.415094|0.147338|4.703333|5.447161|0.150878|3.991651|3.370975|3.573988|2.839913|2.546783|2.676471|3.271395|4.004916|5.678826|10.221850|7.961350|16.140797|73.516695| |3.992241|6.779830|0.124593|4.365790|7.922871|0.213159|12.365427|0.251274|7.390855|6.278948|0.158035|4.289856|3.462663|3.906940|3.105686|2.774732|2.907113|3.548512|4.348133|5.782356|9.825210|7.197865|12.329170|14.366412|36.858105| |3.875763|6.134944|0.118765|3.674443|6.962242|0.191310|7.298306|0.152632|5.658864|4.754009|0.114780|3.689107|2.983043|3.695441|3.023738|2.830578|3.094245|3.855935|4.399911|5.715115|10.963868|5.594675|7.458597|10.325956|12.143763|36.858105| |4.391507|6.966369|0.144432|3.856681|7.680912|0.187379|6.572753|0.134672|5.733410|4.397388|0.103868|3.641863|2.943754|3.816561|3.225756|3.077577|3.377814|4.114234|4.482409|5.122836|9.294177|4.656160|5.186092|7.374807|7.322380|13.047504|36.858105| |6.144406|10.613762|0.229690|5.057766|12.313295|0.242071|7.607449|0.152973|6.447302|4.410459|0.106498|3.664048|3.022673|3.693872|3.200476|2.982616|3.121597|3.598525|3.989205|4.271251|7.223114|4.185856|4.519486|6.489803|6.492117|7.811462|13.754475|36.858105| |6.446716|10.358646|0.273517|4.905055|8.097057|0.173351|5.535538|0.122685|5.325490|3.784664|0.092699|3.362351|2.851357|3.458030|3.150463|2.984720|3.069837|3.373105|3.601842|3.606348|6.048960|3.473737|3.560746|5.290663|4.612610|5.234383|8.000367|15.339540|73.516695| |3.491858|5.219813|0.112421|3.043921|4.892451|0.124755|4.429835|0.098728|4.313159|3.613779|0.085703|3.235293|2.654210|3.612354|3.178176|3.209315|3.705259|4.507407|4.411412|4.719760|9.078899|3.907647|4.064871|6.101154|4.876308|7.512411|12.826666|7.545039|11.253431|36.858105| |2.892644|4.305276|0.091275|2.633730|3.945525|0.103210|3.845355|0.088338|3.826071|3.447579|0.081870|3.143994|2.582287|3.593422|3.149498|3.255899|3.930021|4.990026|4.628411|5.074231|10.724846|3.941084|4.039424|6.215840|4.451967|6.635744|8.068977|5.292804|8.108923|15.807009|73.516695| |3.517518|5.035689|0.112285|2.911564|4.320867|0.110225|3.716371|0.085662|3.688764|3.070602|0.074344|2.852691|2.408724|3.187481|2.951118|3.046072|3.448934|3.884908|3.678757|3.679366|6.795962|3.158243|3.213888|4.948659|3.798164|5.107718|7.860843|6.615398|12.114742|13.995563|15.154718|53.358707| |3.259076|4.884528|0.094581|3.047930|4.992203|0.146345|5.198392|0.120743|4.274010|3.914918|0.097670|3.166025|2.629176|3.205024|2.675338|2.556782|2.834900|3.516394|3.855421|5.038622|10.679217|4.818365|6.514945|10.371149|8.171927|15.960838|8.007536|5.417753|7.244474|6.379897|11.510823|6.126319|73.516695| |3.980331|6.275565|0.109962|4.211407|6.690382|0.221713|8.141102|0.223135|5.133236|4.594379|0.126963|3.382432|2.901531|3.065201|2.545244|2.307702|2.399161|2.829545|3.313178|4.159293|7.376423|5.046994|8.010147|13.067211|13.657861|7.991312|5.416839|5.117011|6.906479|3.927278|6.453952|4.396896|12.457299|73.516695| |2.254065|3.634668|0.072867|2.660800|3.139202|0.081318|4.122855|0.111215|4.626305|6.997626|0.187888|6.095120|5.127507|5.163803|3.858271|3.277896|3.328334|4.055620|5.434765|7.161114|10.423561|10.619225|7.008449|11.867004|4.567562|3.813289|3.270195|3.003492|4.659101|2.933044|5.417555|3.371167|6.406852|6.756642|448.794386| |2.223609|3.424031|0.073786|2.255528|2.926224|0.074177|3.165015|0.076042|3.606295|3.714447|0.085891|3.871393|3.134133|5.180087|4.632607|5.342119|8.264855|14.433636|7.886205|6.601260|12.748651|4.307978|3.662234|5.698879|3.422559|3.947173|4.166453|3.460489|5.704558|4.935520|10.840523|5.652056|6.710672|4.948315|29.222976|73.516695| |17.633895|12.325652|0.227062|7.182465|5.625479|0.150946|4.079233|0.110247|3.585386|2.807384|0.076186|2.497230|2.306217|2.368926|2.215820|2.056721|2.029704|2.151367|2.329128|2.383564|4.014378|2.509719|2.667133|4.240020|3.314866|3.213608|3.629644|4.840028|9.638793|3.036841|4.553881|4.268305|4.913417|5.839623|16.558864|3.643705|0.500000| |17.712218|12.362920|0.229326|5.668491|7.321549|0.206826|4.619187|0.116151|3.863615|2.967241|0.078201|2.587439|2.313026|2.519250|2.315952|2.182307|2.214271|2.399675|2.573607|2.685709|4.621092|2.757917|3.011149|4.731041|3.943716|4.120166|4.939368|7.021505|13.819498|3.980647|5.695519|5.639313|6.175628|6.867136|17.693713|4.148252|0.300056|0.500000| |17.636627|12.327823|0.182409|7.154645|6.927438|0.225950|4.764860|0.132462|3.739458|2.956786|0.081349|2.516981|2.296928|2.354882|2.141572|1.980716|1.986247|2.159358|2.368428|2.526056|4.319626|2.723543|3.059775|4.916390|3.996700|3.775157|4.008760|5.168672|8.864276|3.189143|4.812942|4.262993|5.787206|7.581696|17.821452|3.708665|0.298880|0.297654|0.500000| |7.008904|12.353984|0.179006|17.643134|6.840814|0.184902|6.181056|0.209863|4.830346|3.808215|0.111726|3.123173|2.915619|2.720811|2.426998|2.150385|2.095649|2.280069|2.615537|2.795926|4.573650|3.240676|3.565216|5.645434|4.456018|3.632285|3.621820|4.504537|7.416654|2.855032|4.459760|3.662483|5.468825|8.240957|21.213487|3.785369|0.172015|0.143613|0.212220|0.500000| |5.645022|12.280374|0.219138|17.709277|6.757397|0.152275|7.009103|0.220247|6.714416|4.879828|0.141332|4.051094|3.780218|3.396991|3.019796|2.582437|2.448183|2.639807|3.107974|3.200429|5.011634|3.734228|3.779683|5.728636|4.506440|3.666182|3.800836|4.821705|8.205299|3.022652|4.714528|3.877962|5.375973|7.357030|23.789023|4.233107|0.146877|0.126568|0.143975|0.299909|0.500000| |7.345561|12.399837|0.217764|17.635465|5.526265|0.137153|4.748617|0.140750|4.354385|3.398182|0.096305|2.993511|2.846048|2.672877|2.475493|2.203503|2.109228|2.230715|2.508851|2.556010|4.151649|2.833193|2.931524|4.618010|3.512590|3.094959|3.304717|4.243941|7.802420|2.722808|4.215129|3.647190|4.683349|6.084809|18.796343|3.663404|0.225488|0.147829|0.181865|0.299728|0.300835|0.500000| |3.980814|7.492335|0.167980|4.708534|6.931953|0.142475|8.796756|0.173553|17.634527|8.827285|0.173959|7.027701|4.958484|6.874032|5.176232|4.290789|4.259382|5.093507|6.799553|6.705976|9.264814|6.761022|5.712562|7.502576|6.537949|5.998454|6.888275|7.581528|11.284734|5.281147|8.094933|6.072403|7.907917|8.078118|34.042026|7.574452|0.097706|0.109683|0.098752|0.114028|0.149787|0.109141|0.500000| |4.203583|8.521631|0.183751|6.420654|6.542112|0.136548|8.792468|0.215128|17.550589|8.962413|0.216888|7.049222|5.727649|5.477857|4.483171|3.572292|3.326152|3.681462|4.699532|4.664779|6.718161|5.521810|4.869603|6.802756|5.433650|4.397327|4.631869|5.555376|9.034405|3.672600|5.778904|4.520555|6.200516|7.582662|31.576909|5.579591|0.106426|0.107029|0.105245|0.146656|0.248054|0.142837|0.305501|0.500000| |2.431294|4.080635|0.084362|3.272429|3.124898|0.076888|3.951676|0.113244|5.158458|7.088727|0.228150|9.105936|17.717048|5.506208|4.713486|3.512266|3.080688|3.261348|4.171564|3.993820|5.722857|4.936859|3.840345|6.013989|3.410537|2.850973|2.764250|2.873944|4.796474|2.453162|4.218394|3.038782|4.491821|5.232304|39.364019|4.853804|0.064410|0.063462|0.064782|0.085691|0.110922|0.082200|0.122719|0.154390|0.500000| |2.190919|3.594465|0.076747|2.749607|2.745483|0.067434|3.284013|0.089010|4.336264|5.493210|0.145832|9.057951|17.744795|6.952057|6.900595|4.684398|3.778382|3.765220|4.685152|3.981651|5.691113|4.300653|3.268692|5.129996|2.935966|2.622337|2.627613|2.686028|4.601323|2.438250|4.253379|3.063225|4.174600|4.456205|34.575999|5.360148|0.058565|0.058498|0.057512|0.070813|0.089735|0.070797|0.115035|0.126519|0.289811|0.500000| |2.262897|3.681830|0.082002|2.668325|2.799153|0.067646|3.161411|0.081207|4.238776|4.627441|0.111091|7.029017|6.980827|8.932129|17.758772|8.904989|5.648382|4.926124|5.611863|4.100936|5.926264|3.855370|3.001190|4.623598|2.834756|2.704281|2.873039|2.934909|5.219404|2.786395|4.838607|3.589732|4.266420|4.223572|28.027237|6.534444|0.060767|0.061888|0.057948|0.066977|0.084669|0.069614|0.126819|0.122146|0.142088|0.235446|0.500000| |1.996269|3.109478|0.069522|2.166807|2.388514|0.059021|2.557862|0.064692|3.158248|3.259232|0.078775|4.113846|3.796937|5.656780|8.913981|17.711975|9.000813|5.651623|4.947747|3.578562|5.591380|3.061207|2.517070|3.963698|2.417736|2.465420|2.686574|2.645105|4.800131|2.815383|5.044697|3.742887|3.999679|3.655000|22.486450|7.662252|0.053680|0.056226|0.051073|0.055045|0.065619|0.057250|0.099255|0.086765|0.087159|0.116388|0.215782|0.500000| |1.995715|3.052984|0.067424|2.056342|2.445838|0.061380|2.583772|0.063893|3.046260|3.103122|0.073826|3.557934|3.074098|4.929299|5.616371|8.896438|17.750612|8.965219|5.632026|4.133962|6.956209|3.197857|2.695815|4.261397|2.586292|2.803410|3.074353|2.830499|5.013576|3.487290|6.686040|4.552011|4.660300|3.876221|23.005754|13.595827|0.052640|0.057598|0.051374|0.053039|0.060783|0.053608|0.098610|0.079015|0.073013|0.087535|0.123920|0.214623|0.500000| |4.043523|5.753448|0.133226|3.220727|4.730924|0.117504|3.868882|0.089163|3.853633|3.096217|0.075397|2.880820|2.451660|3.165476|2.965143|3.011051|3.288793|3.600435|3.506331|3.446973|6.134640|3.062230|3.100996|4.749522|3.735592|4.745007|7.392945|7.586963|16.560895|9.340071|10.930948|26.059133|7.184072|5.687477|19.239980|6.515842|0.100540|0.135803|0.096487|0.081003|0.086565|0.083004|0.129726|0.098930|0.063387|0.063542|0.074790|0.076216|0.087606|0.500000| 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