Version2.0 2020-07-30T20:50:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 04-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@@H](C[C@@]2([C@]1(C(=O)C[NH3+])O)C)O)F)C C39953900 RHF 6-31G(d) (6D,7F) C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@@H](C[C@@]2([C@]1(C(=O)C[NH3+])O)C)O)F)C C01[X(C22H31F1N1O4)] 171 C1 482 [NH3+]CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F [NH3+]CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)C[NH3+] InChIKey=IYQHSZNMNOTWLE-UAADTNEKSA-O InChI=1S/C22H30FNO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,26,28H,4-5,8,10-11,24H2,1-3H3/p+1/t12-,15+,16+,17-,19+,20+,21+,22+/m1/s1 InChI=1/C22H30FNO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,26,28H,4-5,8,10-11,24H2,1-3H3/p+1/t12-,15+,16+,17-,19+,20+,21+,22+/m1/s1/fC22H31FNO4/h24H/q+1 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@@H](C[C@@]2([C@]1(C(=O)C[NH3+])O)C)O)F)C C01[X(C22H31F1N1O4)] 171 C01 482 [NH3+]CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F [NH3]CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)C[NH3] InChIKey=BUNKMSJMZICGDM-UAADTNEKSA-N InChI=1S/C22H31FNO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3,24H3/t12-,15+,16+,17-,19+,20+,21+,22+/m1/s1 InChI=1/C22H31FNO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3,24H3/t12-,15+,16+,17-,19+,20+,21+,22+/m1/s1 2989.7056187559 -1304.2337526 1-A 11584.7473 105 377 482 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.36922 -20.73601 -20.70687 -20.66497 -20.59050 -15.88986 -11.50686 -11.47690 -11.43460 -11.41772 -11.39113 -11.37017 -11.36598 -11.35072 -11.34226 -11.33936 -11.33719 -11.33520 -11.33046 -11.32943 -11.32424 -11.32204 -11.31098 -11.30501 -11.30480 -11.30420 -11.28623 -11.28213 -1.68144 -1.59132 -1.52163 -1.50837 -1.47873 -1.43521 -1.27912 -1.23934 -1.20026 -1.18865 -1.17256 -1.14138 -1.12168 -1.10032 -1.08640 -1.06856 -1.05050 -1.02042 -0.99025 -0.98582 -0.97058 -0.95906 -0.94900 -0.91993 -0.90906 -0.88707 -0.87578 -0.85916 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0.5104 0.8275 0.7104 0.8089 0.6500 0.5827 0.6329 0.4496 0.5754 0.0648 0.6331 0.8009 0.7626 0.0312 0.6584 0.8085 0.8534 0.7634 0.6250 0.7283 0.4130 0.5328 0.8564 0.8267 0.5416 0.8176 0.6102 0.4726 0.8509 0.8477 0.8512 0.7580 0.6303 0.8119 0.5918 0.1240 0.4031 0.5288 0.8513 0.7841 0.7828 0.8559 0.8360 0.5852 0.7811 0.8234 0.8234 0.8537 0.8568 0.6457 0.7924 0.5625 0.6585 0.8345 0.6657 0.8423 0.6715 0.5678 0.5370 0.7840 0.8192 0.8522 0.8406 0.8060 0.7863 0.7448 0.6768 0.7285 0.4279 0.8523 0.7255 0.7616 0.7461 0.7028 0.8566 0.8473 0.8482 0.8477 0.7499 0.6981 0.8411 0.8524 0.8408 0.8424 0.8401 0.8562 0.8470 0.8447 0.7754 0.8542 0.8565 0.8239 0.4746 0.8540 0.8479 0.8562 0.3773 0.4782 0.4325 0.4423 0.4540 0.0894 0.8283 0.3745 0.0147 0.6668 0.6669 0.1850 0.1842 0.4169 0.4613 0.7352 0.6087 0.7718 0.6452 0.8483 0.6150 0.7426 0.1109 0.5165 0.8557 0.8516 0.5085 0.4873 0.3555 0.0426 0.8272 0.7887 0.4542 0.3646 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 6 6 1 6 6 1 6 1 6 6 6 6 6 8 6 6 6 6 6 1 6 6 6 6 8 6 7 1 1 1 8 6 8 9 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 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 1.00783 1.00783 1.00783 15.99491 12.00000 15.99491 18.99840 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 4372.9939 17671.6945 19172.2649 0.99994 0.00335 0.01078 -0.00323 0.99992 -0.01190 -0.01082 0.01186 0.99987 1 0.01981 0.00490 0.00452 0.41270 0.10213 0.09413 42.28 55.41 63.54 77.71 94.10 123.89 149.96 180.99 212.70 233.34 267.77 294.68 305.85 316.28 336.37 350.56 358.42 362.26 372.47 388.17 408.69 419.56 425.81 442.38 446.93 462.73 466.16 476.02 509.93 540.65 553.04 567.15 591.50 612.95 640.20 658.66 668.10 719.71 731.13 750.62 761.08 794.50 814.41 821.62 877.26 908.29 968.83 1003.89 1035.72 1055.41 1057.54 1087.89 1106.85 1121.28 1154.57 1239.95 1295.64 1307.88 1322.19 1351.88 1372.52 1396.83 1421.64 1431.65 1455.60 1469.42 1479.36 1483.52 1496.91 1506.71 1533.50 1566.56 1577.54 1592.08 1608.40 1623.13 1653.24 1668.37 1677.10 1686.48 1702.78 1710.73 1741.12 1745.96 1751.62 1771.09 1777.00 1788.69 1796.37 1823.50 1844.18 1849.94 1876.14 1895.20 1898.06 1916.39 1944.01 1967.15 1985.76 2000.12 2011.00 2046.14 2049.53 2064.13 2070.83 2102.96 2122.87 2139.84 2151.47 2166.68 2172.14 2172.57 2178.38 2212.89 2217.30 2220.78 2234.80 2253.51 2264.38 2280.48 2285.40 2300.98 2303.83 2351.26 2354.79 2360.46 2366.43 2368.66 2372.24 2379.98 2384.67 2389.10 2397.19 2435.42 2594.05 2618.11 2659.11 2710.87 2876.53 2894.47 4557.02 4610.58 4617.79 4626.36 4630.01 4640.83 4649.44 4655.44 4658.57 4671.50 4696.05 4699.46 4706.88 4715.53 4726.06 4737.94 4738.81 4750.53 4757.31 4758.44 4759.52 4797.84 4853.02 4857.86 4873.06 4987.69 5228.96 5362.43 5391.66 5908.98 5934.48 0.549993 0.575404 0.576348 0.496328 -1303.683760 -1303.658349 -1303.657404 -1303.737424 2.683884D-04 MUNgauss RevisionA2.0 retrievium 30-Jul-2020 DUDE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@@H](C[C@@]2([C@]1(C(=O)C[NH3+])O)C)O)F)C C39953900 RHF 6-31G(d) (6D,10F) C1 392.223712 |X|Y|Z| 42.589853 93.817794 31.121039 49.913170 17 6 17 |36.858105| |12.461908|36.858105| |8.973212|17.611603|0.500000| |7.361788|12.226776|0.244155|36.858105| |5.327577|7.800221|0.167276|12.429454|36.858105| |5.409982|6.860757|0.142270|9.015317|17.553448|0.500000| |3.791719|4.897934|0.118486|7.153756|12.425160|0.254186|36.858105| |3.470084|4.549944|0.117149|6.367325|8.833473|0.176759|17.550463|0.500000| |3.522816|4.173055|0.101869|6.166543|7.551760|0.192650|12.454737|0.249483|36.858105| |2.749178|3.157677|0.080280|4.185517|4.916111|0.128870|7.576527|0.193336|12.495684|36.858105| |2.510821|2.853000|0.072156|3.562210|4.431275|0.122531|6.544550|0.160429|7.732990|12.665452|36.858105| |2.237630|2.459147|0.062426|2.964272|3.521275|0.100892|4.607783|0.114763|5.473757|7.760579|14.374770|36.858105| |2.029891|2.205890|0.056184|2.555919|3.039869|0.088615|3.743060|0.094268|4.039150|4.953524|7.716494|12.906755|36.858105| |1.847008|1.971443|0.050484|2.247554|2.594471|0.075920|3.067247|0.078229|3.341130|3.973381|5.373899|8.138912|15.912497|73.516695| |2.058155|2.268148|0.057797|2.580762|3.167520|0.092166|3.871481|0.097940|3.809129|4.378802|6.687782|7.642253|12.931921|14.428315|36.858105| |2.264966|2.566422|0.065255|2.946752|3.784313|0.107934|4.829233|0.122038|4.373176|4.889435|7.580127|6.770460|7.792621|9.587156|14.419703|36.858105| |2.556957|2.987358|0.075714|3.619631|4.833762|0.131085|7.253784|0.181708|6.299366|7.370927|12.443817|7.584068|6.404033|8.118317|7.551501|12.528019|36.858105| |3.176264|3.880441|0.095101|4.806944|7.587683|0.203139|12.202385|0.245527|7.398598|6.373482|7.528056|5.259444|4.569612|6.352325|5.219217|7.463250|12.089265|36.858105| |3.103445|3.884257|0.097782|4.369736|6.577093|0.167850|7.589579|0.195962|4.885073|4.337081|4.829492|3.797425|3.568269|5.211419|4.257860|5.940138|7.201012|12.304280|36.858105| |2.924888|3.709424|0.097114|4.197513|5.864122|0.139288|7.077379|0.217999|4.637872|4.273173|4.550735|3.550392|3.281646|4.842816|3.821907|5.189028|6.570263|8.950165|17.579068|0.500000| |3.789764|4.934531|0.120605|5.039239|7.659038|0.199519|6.415330|0.160739|4.324598|3.588201|3.742596|3.098830|2.923276|4.436898|3.337086|4.200336|4.764812|7.432541|12.367599|0.244859|36.858105| |5.015663|7.761232|0.181705|7.865609|12.362396|0.248670|7.387296|0.189025|4.861534|3.740907|3.586376|2.943554|2.668233|4.098164|2.889588|3.494640|4.191943|6.290481|7.478394|0.189511|12.451224|36.858105| |7.358232|12.177872|0.246643|7.669359|8.075649|0.208384|5.006530|0.127158|3.916471|3.056984|2.911871|2.502797|2.301824|3.628200|2.445253|2.824883|3.217458|4.372533|4.801065|0.122242|7.227208|12.136372|36.858105| |5.693257|7.462929|0.206559|5.035011|5.047397|0.131253|3.724587|0.100144|3.030676|2.507434|2.419449|2.121240|1.989241|3.177852|2.127510|2.430780|2.685234|3.431177|3.952200|0.105068|5.647349|7.320589|12.541162|36.858105| |4.979381|6.423275|0.211286|4.545233|4.314177|0.108341|3.363577|0.094071|2.788297|2.350202|2.238289|1.965748|1.836678|2.948120|1.951162|2.217929|2.462196|3.046994|3.483321|0.096832|4.584420|5.882390|7.879467|15.992255|73.516695| |4.479978|4.977905|0.132333|3.764045|3.940550|0.109653|3.101507|0.082218|2.594978|2.209029|2.191616|1.963531|1.885295|3.041563|2.036663|2.297473|2.441635|3.038399|3.527021|0.091493|4.920390|5.231636|7.325433|12.442160|14.535865|36.858105| |3.577795|3.887365|0.110649|3.066129|3.124554|0.085014|2.590503|0.070599|2.211446|1.931210|1.911839|1.727618|1.667099|2.712717|1.795978|2.007684|2.117572|2.539237|2.941534|0.079045|3.800389|3.984228|4.946101|7.823783|13.343656|12.679335|53.358707| |3.732822|3.973734|0.117357|3.067323|3.005239|0.080975|2.486585|0.068227|2.153043|1.876258|1.833004|1.658095|1.588272|2.592754|1.692407|1.880976|2.002120|2.382074|2.697104|0.073340|3.400810|3.728010|4.716758|7.426643|14.558889|9.151888|25.629035|0.500000| |3.158662|3.312068|0.092711|2.692125|2.761049|0.076467|2.336358|0.063333|2.024536|1.788074|1.785776|1.631427|1.589466|2.603533|1.714015|1.897769|1.970836|2.327001|2.670373|0.071267|3.358853|3.397526|4.088429|5.704541|9.566786|9.060293|25.670060|0.321488|0.500000| |3.239136|3.651283|0.105731|2.976348|3.081323|0.082205|2.608082|0.072273|2.200932|1.941215|1.926858|1.732637|1.673583|2.714777|1.814747|2.043793|2.158202|2.574538|3.054541|0.083684|3.903124|4.015084|4.634105|7.087787|13.204123|9.098842|25.661703|0.328809|0.322899|0.500000| |6.756529|7.655784|0.159995|5.778235|6.466629|0.206771|4.387377|0.106624|3.618336|2.873153|2.828207|2.494915|2.342925|3.721771|2.498652|2.837573|3.104239|4.158675|4.439248|0.107143|6.535472|7.693897|13.522116|8.385247|9.918204|7.543880|6.471476|0.121590|0.115708|0.118205|73.516695| 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|2.315920|2.732714|0.071691|3.249386|4.092201|0.104719|5.826634|0.176300|4.993027|6.053570|7.607916|5.461440|4.802295|6.638178|5.497257|7.747076|12.280697|7.401942|6.256126|0.193795|4.207319|3.803030|2.915657|2.529121|4.244490|2.282603|2.767325|0.053660|0.052423|0.058505|4.831671|3.758161|10.035117|11.487850|36.858105| |17.576807|8.722658|0.173758|6.707157|5.356528|0.166237|3.850503|0.094441|3.668847|2.840497|2.626646|2.365246|2.151748|3.487304|2.170654|2.368065|2.647645|3.295828|3.134980|0.080095|3.791260|4.755551|6.568483|4.904738|7.375150|4.180858|4.473795|0.092620|0.082627|0.082622|12.764035|3.773054|4.768315|8.050575|2.337927|0.500000| |17.540273|8.736994|0.212673|5.389609|4.342041|0.122722|3.232796|0.083677|2.971475|2.402644|2.237673|2.016307|1.859628|3.029489|1.901680|2.084427|2.306848|2.822849|2.845410|0.074781|3.514242|4.442508|6.713594|6.125725|9.588644|5.045306|5.530700|0.121166|0.099509|0.098707|11.549255|3.822216|4.380716|6.601495|2.114310|0.301919|0.500000| |17.575798|8.861735|0.217730|6.681855|4.603655|0.126328|3.494276|0.090619|3.394342|2.680230|2.398400|2.151181|1.935104|3.150919|1.934484|2.107971|2.390285|2.884256|2.768720|0.073806|3.233678|4.181033|5.418081|4.504534|7.529197|3.637987|4.186565|0.090419|0.076412|0.078695|8.720109|3.720513|4.192775|6.638126|2.191191|0.302429|0.302437|0.500000| |7.330656|8.676851|0.182783|17.592482|8.731153|0.224458|6.178973|0.147588|6.365239|4.249391|3.547406|3.022466|2.578498|4.071487|2.538519|2.825636|3.425780|4.343704|3.764385|0.099058|4.164897|5.670781|5.829293|4.125615|6.653711|3.293280|3.702848|0.075905|0.067718|0.072596|9.012697|4.688787|5.354166|9.774371|3.014021|0.204966|0.144138|0.201453|0.500000| |5.761493|8.699871|0.230721|17.571836|8.733271|0.175337|6.650131|0.188379|5.903464|4.213811|3.458679|2.859529|2.443676|3.828953|2.453239|2.799729|3.485077|4.404183|4.061875|0.114520|4.432361|6.591553|5.976553|4.472412|7.708877|3.355291|3.888314|0.080328|0.069657|0.078504|8.009907|6.578330|5.573686|8.881492|3.281429|0.140836|0.126161|0.159098|0.303882|0.500000| |3.646509|4.104164|0.097326|5.795598|6.976597|0.210070|8.829620|0.174810|17.542397|8.880898|7.019153|5.567263|4.192667|6.247604|3.871115|4.274405|5.630849|6.656676|4.475160|0.112534|4.139143|4.528853|3.872503|2.969133|4.768421|2.597951|2.980237|0.059071|0.056127|0.059784|6.719922|3.743645|6.483781|15.775519|4.241146|0.110235|0.084975|0.096809|0.180286|0.142547|0.500000| |3.735211|4.416058|0.109894|6.907571|6.899721|0.167245|8.873131|0.218227|17.559715|8.851579|5.583891|4.350569|3.341716|5.102886|3.142833|3.522021|4.739168|5.437312|4.092974|0.111966|3.829396|4.565807|3.852880|3.011676|5.026969|2.532808|2.969378|0.059840|0.055239|0.060164|6.148381|4.179662|5.771317|10.880610|4.149813|0.105542|0.086099|0.103568|0.208748|0.199470|0.302522|0.500000| |2.573867|2.858972|0.073094|3.705722|4.078088|0.110171|5.507991|0.142168|8.831678|17.596162|8.939522|7.492397|4.741572|7.120672|3.935633|4.103689|5.443068|4.782545|3.503538|0.095529|3.026121|3.172362|2.713811|2.258961|3.786187|2.011140|2.412944|0.048128|0.045881|0.049236|4.602594|2.959375|5.403764|9.846070|4.667660|0.074357|0.062669|0.070890|0.108757|0.103767|0.214291|0.212487|0.500000| |2.604382|3.037981|0.079346|3.974196|4.536585|0.113336|6.868294|0.207499|8.860832|17.518637|8.863572|6.006873|4.238560|6.194189|3.908917|4.446983|6.629875|5.675157|4.210375|0.122359|3.448289|3.632675|2.933477|2.457721|4.171378|2.147344|2.591168|0.051558|0.048796|0.053658|4.778274|3.574297|6.218701|10.081127|6.657827|0.073072|0.063794|0.071028|0.108389|0.116824|0.173948|0.214464|0.303543|0.500000| |2.155461|2.329180|0.059398|2.807077|3.195925|0.091505|4.027095|0.101764|5.065728|7.145882|9.096550|17.714271|8.791751|13.180134|5.522790|4.901312|5.447559|4.245052|3.200912|0.084358|2.721120|2.658049|2.317540|1.975413|3.276992|1.827312|2.201931|0.043438|0.042518|0.044891|4.106137|2.429875|5.366916|9.575035|4.364588|0.063373|0.053878|0.058346|0.081248|0.075798|0.146123|0.117960|0.231062|0.155344|0.500000| |1.895772|2.065249|0.052917|2.295882|2.765926|0.080792|3.236665|0.082997|3.154640|3.512208|4.857448|5.509401|8.749574|13.020871|17.725793|9.099255|5.440555|4.214376|3.708333|0.093044|3.015779|2.592433|2.240693|1.985411|3.242672|1.933226|2.339890|0.044871|0.045961|0.048258|4.115148|2.337378|7.619408|10.009582|4.413690|0.055520|0.049201|0.049472|0.062730|0.060615|0.089674|0.074448|0.089921|0.089155|0.122460|0.500000| |2.215220|2.521166|0.064530|2.812903|3.613387|0.102382|4.376387|0.113359|3.767444|4.001095|5.470025|4.907471|5.585003|7.687052|9.229969|17.830273|8.635033|6.716996|6.479381|0.155185|4.488430|3.536557|2.850894|2.501908|4.050175|2.399673|2.865159|0.054235|0.055435|0.059994|5.104573|3.168473|15.751089|13.932174|6.844876|0.063896|0.057328|0.056817|0.073714|0.074198|0.101861|0.086971|0.094579|0.104855|0.106792|0.220304|0.500000| |3.827581|4.668099|0.110410|4.660139|6.820595|0.210629|5.613250|0.132860|4.109175|3.409454|3.642479|3.110194|2.996173|4.579366|3.433085|4.211095|4.508266|6.795509|8.953447|0.174822|17.619175|8.765830|6.815217|5.262339|7.349933|5.005555|5.082434|0.091941|0.094038|0.102973|13.441543|5.497562|13.152785|16.963738|3.771557|0.110993|0.099275|0.089410|0.112564|0.109968|0.115538|0.100048|0.081458|0.088343|0.075966|0.087189|0.124651|0.500000| |3.401369|4.311733|0.110977|4.151762|5.518746|0.143549|4.833149|0.129870|3.511211|3.042186|3.176004|2.698965|2.598453|4.008946|2.984346|3.683612|3.991823|5.470418|8.915457|0.214428|17.471344|8.755922|6.269015|5.824376|8.608605|5.363037|5.817387|0.102951|0.104305|0.127040|10.053381|7.079814|13.116657|11.204460|3.751411|0.092652|0.090862|0.081389|0.096749|0.105533|0.093147|0.088899|0.072684|0.083019|0.066499|0.076803|0.112948|0.302769|0.500000| |4.809558|4.842103|0.124846|3.628162|3.697871|0.106655|2.907573|0.075856|2.505110|2.126452|2.106411|1.909657|1.836548|2.985341|1.963885|2.182279|2.303338|2.835642|3.159432|0.081048|4.240095|4.532563|6.530167|8.777608|11.229114|17.660553|12.301629|0.215200|0.221376|0.179018|13.928341|3.812256|5.147499|6.706462|2.124414|0.128097|0.158532|0.106741|0.091162|0.088403|0.070979|0.068176|0.054379|0.056842|0.049732|0.051939|0.062679|0.125484|0.121623|0.500000| |3.889462|4.385014|0.113679|3.561882|3.964381|0.112234|3.197098|0.084053|2.634488|2.265138|2.295771|2.057419|1.999842|3.212475|2.197731|2.500074|2.611942|3.272983|3.939805|0.099720|5.685187|5.352002|6.595290|8.707556|10.999366|17.652930|12.271756|0.179304|0.214553|0.219929|13.027722|4.449346|6.534556|7.596950|2.423971|0.105015|0.115696|0.089181|0.086969|0.088069|0.073444|0.069975|0.056892|0.060929|0.052647|0.058227|0.073735|0.166819|0.181818|0.301742|0.500000| |6.501870|7.033585|0.143169|6.113896|7.230659|0.272332|4.844595|0.112228|4.074546|3.157380|3.120977|2.754725|2.570001|4.063007|2.718492|3.073324|3.376644|4.601031|4.593451|0.107904|6.354857|7.191771|9.655951|6.055076|7.976268|5.513818|5.242800|0.099917|0.096551|0.098079|35.744851|4.624812|6.889525|12.173861|2.856616|0.215045|0.160628|0.135139|0.157015|0.127628|0.122899|0.106007|0.079033|0.080132|0.070723|0.069336|0.084890|0.216769|0.143297|0.160556|0.155255|0.500000| |3.537685|4.930456|0.138980|5.588555|6.786797|0.139777|6.743175|0.244448|4.578287|3.891929|3.609816|2.892345|2.581346|3.952333|2.784816|3.408775|4.282211|5.574349|6.727851|0.241452|6.781170|8.725046|5.451763|4.718104|8.300612|3.640239|4.341451|0.085248|0.076890|0.094376|7.311324|17.633658|8.313321|9.580735|4.531332|0.091160|0.089290|0.090253|0.120122|0.169199|0.107661|0.123885|0.089977|0.115528|0.072645|0.069029|0.095861|0.137976|0.173447|0.088032|0.102438|0.110026|0.500000| |4.567280|7.104842|0.233635|6.966797|6.575709|0.137058|5.264322|0.165082|4.024884|3.281091|2.961812|2.469588|2.212163|3.466914|2.327481|2.725599|3.274346|4.171257|4.629944|0.140616|5.473450|8.632091|7.000489|6.253823|12.035263|4.234721|5.045240|0.103312|0.086378|0.107490|8.251806|17.633452|6.282966|8.062444|3.283577|0.109275|0.115027|0.116182|0.139516|0.221984|0.099078|0.116677|0.079491|0.094522|0.063810|0.058600|0.075902|0.122287|0.143333|0.102159|0.110464|0.118563|0.304408|0.500000| |3.702077|5.140484|0.151499|4.803753|5.431986|0.123395|4.642835|0.141527|3.451534|2.957629|2.845182|2.394446|2.215791|3.463778|2.415151|2.882508|3.333501|4.263516|5.508607|0.172274|7.002837|8.743774|6.507718|6.775327|12.517027|4.915274|5.935463|0.114321|0.100212|0.135352|8.288696|17.566053|7.612811|8.203208|3.395898|0.093096|0.098479|0.091451|0.104957|0.135298|0.087092|0.093975|0.071264|0.084662|0.060747|0.061603|0.083605|0.143819|0.216971|0.110314|0.136481|0.115362|0.304385|0.303952|0.500000| |2.489903|2.951194|0.076818|3.087583|4.020808|0.108638|4.294218|0.117145|3.303073|3.151080|3.601175|3.096496|3.145256|4.752894|3.947976|5.239138|5.026954|5.861141|9.827314|0.237469|7.249085|4.731700|3.638972|3.351424|5.368884|3.251529|3.869167|0.070865|0.073706|0.083870|6.300462|4.333403|35.747781|11.465208|4.895740|0.069734|0.065908|0.062264|0.076515|0.081330|0.087256|0.080538|0.074746|0.086491|0.073590|0.103124|0.188056|0.178805|0.218656|0.080373|0.105020|0.098294|0.127396|0.096661|0.123781|0.500000| |2.074600|2.392438|0.063172|2.811334|3.387359|0.088555|4.568752|0.135338|4.302669|5.570357|7.135264|5.716521|5.132269|7.167956|5.627540|6.991034|8.800367|5.433604|4.662503|0.139592|3.410056|3.136452|2.511242|2.212504|3.742525|2.022304|2.481824|0.048355|0.047401|0.052326|4.217413|3.115676|7.980117|9.490420|17.598915|0.058347|0.052896|0.055102|0.074041|0.079244|0.104387|0.102141|0.127257|0.171942|0.128369|0.126653|0.166724|0.087416|0.086346|0.052769|0.059349|0.069267|0.101528|0.077783|0.079482|0.111571|0.500000| 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