Version2.0 2020-07-19T09:21:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@@H]3COc4ccccc4O3)Oc5ccc(cc5)F C39596349 RHF 6-31G(d) (6D,7F) C[C@@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@@H]3COc4ccccc4O3)Oc5ccc(cc5)F C01[X(C27H33F1N3O5)] 201 C1 606 C[C@H](Oc1ccc(cc1)F)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H]1COc2c(O1)cccc2 C[C@H](Oc1ccc(cc1)F)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H]1COc2c(O1)cccc2 C[C@@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@@H]3COc4ccccc4O3)Oc5ccc(F)cc5 InChIKey=MBUWQXPUGBGPQJ-XZOYJPPVSA-O InChI=1S/C27H32FN3O5/c1-18(35-20-8-6-19(28)7-9-20)14-30-25(32)21-15-31(17-27(21)10-12-29-13-11-27)26(33)24-16-34-22-4-2-3-5-23(22)36-24/h2-9,18,21,24,29H,10-17H2,1H3,(H,30,32)/p+1/t18-,21-,24-/m0/s1 InChI=1/C27H32FN3O5/c1-18(35-20-8-6-19(28)7-9-20)14-30-25(32)21-15-31(17-27(21)10-12-29-13-11-27)26(33)24-16-34-22-4-2-3-5-23(22)36-24/h2-9,18,21,24,29H,10-17H2,1H3,(H,30,32)/p+1/t18-,21-,24-/m0/s1/fC27H33FN3O5/h29-30H/q+1 C[C@@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@@H]3COc4ccccc4O3)Oc5ccc(cc5)F C01[X(C27H33F1N3O5)] 201 C01 606 C[C@H](Oc1ccc(cc1)F)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H]1COc2c(O1)cccc2 C[C@H](O[C]1[CH][CH][C]([CH][CH]1)F)C[NH][C](=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C@@H]1CO[C]2[C]([CH][CH][CH][CH]2)O1 C[C@@H](CNC(=O)[C@@H]1CN(CC12CC[NH2]CC2)C(=O)[C@@H]3CO[C]4[CH][CH][CH][CH][C]4O3)O[C]5[CH][CH][C](F)[CH][CH]5 InChIKey=AQIWWEABTYLDPC-XZOYJPPVSA-N InChI=1S/C27H33FN3O5/c1-18(35-20-8-6-19(28)7-9-20)14-30-25(32)21-15-31(17-27(21)10-12-29-13-11-27)26(33)24-16-34-22-4-2-3-5-23(22)36-24/h2-9,18,21,24H,10-17,29H2,1H3,(H,30,32)/t18-,21-,24-/m0/s1 InChI=1/C27H33FN3O5/c1-18(35-20-8-6-19(28)7-9-20)14-30-25(32)21-15-31(17-27(21)10-12-29-13-11-27)26(33)24-16-34-22-4-2-3-5-23(22)36-24/h2-9,18,21,24H,10-17,29H2,1H3,(H,30,32)/t18-,21-,24-/m0/s1/f/h30H 3864.2247862781 -1678.5713925 1-A 27826.5030 132 474 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.36373 -20.69261 -20.66768 -20.65821 -20.63226 -20.62895 -15.86037 -15.69619 -15.68613 -11.45979 -11.45047 -11.44931 -11.44720 -11.39548 -11.38851 -11.38780 -11.38230 -11.37802 -11.37659 -11.37593 -11.37251 -11.37215 -11.37108 -11.36680 -11.36551 -11.36104 -11.34944 -11.31739 -11.31016 -11.30916 -11.30658 -11.30549 -11.30527 -11.30494 -11.30260 -11.29211 -1.68217 -1.53467 -1.50056 -1.49869 -1.49571 -1.48475 -1.48462 -1.37915 -1.33881 -1.25621 -1.23652 -1.22906 -1.21069 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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 6 6 1 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 1 6 8 6 6 6 6 6 6 8 8 6 6 6 6 6 6 9 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 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 10243.5171 42792.2230 50194.5237 0.99998 -0.00395 -0.00461 0.00392 0.99998 -0.00574 0.00463 0.00572 0.99997 1 0.00846 0.00202 0.00173 0.17618 0.04217 0.03595 9.01 17.56 24.74 37.62 41.79 56.77 72.22 77.51 90.44 99.45 110.54 133.01 146.10 175.05 222.59 237.79 272.19 278.05 296.16 308.37 322.53 355.13 362.39 380.04 383.13 400.69 423.27 450.64 491.48 500.49 532.73 548.79 577.02 582.35 603.09 627.57 668.33 679.30 685.72 692.86 716.86 732.50 740.97 751.12 763.75 773.21 797.07 815.30 856.18 876.43 896.54 905.19 919.34 960.63 977.16 1009.17 1047.75 1114.30 1124.89 1145.66 1154.01 1172.28 1188.31 1225.19 1225.73 1240.15 1245.55 1261.61 1310.90 1327.61 1333.56 1354.14 1368.75 1380.03 1386.04 1394.82 1406.10 1421.04 1457.12 1458.70 1489.62 1517.78 1526.17 1531.58 1548.51 1567.69 1573.65 1591.43 1592.66 1598.23 1599.54 1610.69 1625.11 1630.15 1634.61 1685.17 1689.25 1694.73 1709.10 1732.53 1743.27 1761.67 1781.06 1783.24 1790.68 1801.06 1819.35 1821.63 1831.09 1833.30 1848.10 1901.10 1906.97 1912.93 1917.22 1942.21 1961.78 1967.42 1984.53 2004.23 2011.94 2023.55 2030.38 2045.83 2051.97 2056.76 2082.62 2089.81 2091.57 2095.15 2103.75 2118.72 2156.40 2165.75 2179.87 2197.73 2202.24 2224.46 2229.00 2242.28 2246.01 2254.62 2256.97 2258.95 2267.48 2276.25 2324.48 2349.14 2354.06 2360.23 2365.69 2369.70 2370.15 2371.80 2372.52 2391.67 2414.61 2418.40 2427.25 2438.51 2485.71 2585.30 2588.22 2610.29 2625.67 2626.23 2729.18 2809.70 4587.33 4602.37 4620.29 4626.90 4640.38 4660.21 4667.91 4668.97 4695.09 4706.86 4710.87 4722.32 4722.74 4733.26 4749.85 4750.57 4773.28 4795.46 4799.01 4800.09 4813.04 4826.68 4840.24 4857.92 4863.20 4880.89 4881.32 4898.29 4898.47 4904.73 5263.84 5364.70 5580.85 0.626914 0.657130 0.658074 0.559722 -1677.944478 -1677.914262 -1677.913318 -1678.011671 3.298776D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE C[C@@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)[C@@H]3COc4ccccc4O3)Oc5ccc(cc5)F C39596349 RHF 6-31G(d) (6D,10F) C1 498.240425 |X|Y|Z| 31.393652 70.011755 148.118525 68.792443 32 6 7 8 26 3 3 |36.858105| |12.527045|36.858105| |8.866991|17.549109|0.500000| |7.567355|12.521803|0.247612|36.858105| |5.022017|7.800592|0.195568|13.113372|53.358707| |3.881545|5.249617|0.143247|7.739830|19.422153|36.858105| |3.684263|4.622974|0.127507|6.753044|11.559879|15.733539|73.516695| |3.082422|3.994567|0.111884|4.996082|10.700818|12.464692|14.173744|36.858105| |3.035184|3.963746|0.116632|4.609961|9.351474|9.078308|11.591497|17.499229|0.500000| |2.889532|3.680049|0.099244|4.389015|8.816710|7.314505|9.320253|12.375617|0.247187|36.858105| |2.371224|2.882518|0.079011|3.323067|5.996863|5.115974|7.452296|8.121472|0.189276|13.083862|53.358707| |2.234173|2.682712|0.075189|3.102420|5.462956|5.011971|7.824637|8.059190|0.199536|7.883042|17.872730|36.858105| |2.537035|3.087259|0.086522|3.766230|6.837225|7.296960|11.770488|12.296597|0.248052|7.819405|11.090228|12.362893|36.858105| |2.403818|2.866707|0.082866|3.399418|5.762314|5.904126|11.025129|7.469423|0.201173|5.007678|6.981923|7.409793|12.382725|36.858105| |2.054857|2.364457|0.067585|2.752802|4.404363|4.169318|8.051419|4.854448|0.128746|3.821434|5.665316|5.870971|7.430873|12.508930|36.858105| |2.043203|2.314655|0.064711|2.754620|4.303967|4.048366|8.146036|4.406025|0.109431|3.624041|5.272522|5.001140|6.485551|7.727391|12.665495|53.358707| |1.855263|2.068613|0.057814|2.417667|3.691664|3.337662|6.624676|3.583522|0.091190|3.076739|4.521879|4.157266|4.900239|5.690038|9.159181|25.693444|0.500000| |2.179223|2.456270|0.068581|2.970001|4.550220|4.325476|9.316778|4.369725|0.108027|3.499589|4.830688|4.348645|5.930070|7.174887|9.210114|25.644610|0.327364|0.500000| |2.084226|2.377402|0.065148|2.867178|4.574879|4.280503|8.137938|4.849736|0.113113|4.266522|6.444134|5.935305|7.423884|6.482402|7.634718|17.218070|0.254224|0.255649|36.858105| |2.451062|2.888910|0.078387|3.623964|6.163285|6.230147|11.234653|7.440935|0.152651|6.185249|8.662890|7.538425|12.308901|7.503690|6.469940|10.497024|0.157888|0.198871|12.515086|36.858105| |2.138416|2.536037|0.068848|2.838721|4.847280|3.863863|5.843895|5.230663|0.130558|7.857065|19.150078|7.546397|5.247012|3.813996|3.346420|4.361530|0.079419|0.081658|3.907145|4.738238|36.858105| |2.195162|2.595412|0.069422|2.859378|4.804401|3.619342|5.425881|4.566236|0.115122|7.052311|11.642316|5.293957|4.233789|3.211657|2.821707|3.741008|0.068847|0.071746|3.286874|3.973283|15.894909|73.516695| |1.834910|2.122812|0.058166|2.345390|3.845297|3.092250|4.917087|3.981748|0.103227|4.992075|10.513997|6.411767|4.382280|3.456442|3.252646|4.232864|0.079448|0.077307|3.757706|4.097128|12.490508|14.262781|36.858105| |1.781353|2.062897|0.057323|2.254961|3.693745|2.992065|4.787961|3.896894|0.105342|4.603548|9.477615|6.675046|4.355035|3.590276|3.396671|4.237277|0.079878|0.076756|3.604731|3.844157|8.829416|10.912383|17.519927|0.500000| |1.681610|1.914041|0.052164|2.073542|3.302573|2.564562|4.116119|3.118437|0.082167|3.856573|6.887493|4.261559|3.274375|2.712336|2.588505|3.425795|0.065686|0.063824|2.961792|3.161790|7.567757|12.417866|12.545288|0.248068|36.858105| |1.508147|1.694981|0.046471|1.827023|2.859368|2.234229|3.667642|2.662258|0.071029|3.104537|5.365561|3.645483|2.870473|2.479578|2.449077|3.242668|0.063502|0.059993|2.749033|2.799513|5.103059|8.232959|8.030179|0.204196|13.564880|73.516695| |1.472367|1.646101|0.045085|1.794870|2.793965|2.218013|3.705007|2.621481|0.069019|2.969078|5.132354|3.667392|2.933445|2.554699|2.605888|3.519788|0.069910|0.064248|3.026069|2.955887|4.587966|7.152709|7.039173|0.178330|8.207053|25.008119|36.858105| |1.333359|1.473081|0.040402|1.595528|2.441807|1.927362|3.265616|2.221409|0.058955|2.448821|4.047020|2.958018|2.472985|2.224378|2.311667|3.147546|0.063782|0.057849|2.637033|2.516122|3.440753|5.561296|4.662859|0.124782|5.319644|14.332090|13.750770|36.858105| |1.289022|1.415125|0.038798|1.541376|2.339349|1.860194|3.201145|2.113974|0.055797|2.275509|3.697108|2.776693|2.392058|2.187044|2.332697|3.241338|0.066978|0.059329|2.705082|2.491706|3.015880|4.859412|3.869847|0.103944|4.055204|9.336305|7.943182|13.786777|36.858105| |1.360788|1.497095|0.040978|1.651634|2.514532|2.029073|3.525137|2.307248|0.060072|2.452385|4.008602|3.081742|2.684451|2.445412|2.667081|3.802480|0.079388|0.068571|3.247632|2.879415|3.185020|5.024398|4.020258|0.106384|3.894474|8.204875|6.868542|7.938598|13.725684|36.858105| |1.509154|1.679384|0.045882|1.875352|2.903660|2.376753|4.097371|2.765598|0.070833|2.974450|5.053584|3.912676|3.306963|2.908063|3.153251|4.522590|0.092332|0.080058|4.076302|3.600825|4.026733|6.101491|5.265288|0.134199|4.688776|9.290886|7.933980|6.882768|7.948659|13.783004|36.858105| |1.581616|1.778811|0.048609|1.975366|3.107162|2.522465|4.236150|3.021906|0.077715|3.397909|6.084798|4.483571|3.534425|3.000854|3.105757|4.280993|0.084521|0.076567|3.855623|3.676597|5.258523|7.702271|8.104582|0.192474|7.070873|14.190267|13.743653|7.950291|6.888123|7.949681|13.766167|36.858105| |1.781656|2.038429|0.055581|2.294080|3.709667|3.056216|5.017266|3.828418|0.096060|4.497192|8.919557|6.262065|4.550794|3.594264|3.564209|4.859444|0.092175|0.086646|4.575416|4.667346|8.049157|10.372813|13.482211|0.258595|7.940124|12.105761|7.929033|5.206261|4.605808|5.238926|8.044933|13.897319|73.516695| |7.813353|13.419469|0.258369|8.153702|9.628051|4.744673|7.030136|3.952073|0.109026|3.959821|4.151412|2.725378|3.010496|2.703705|2.241404|2.975146|0.054463|0.063167|2.294797|2.799655|2.743041|5.145081|2.253815|0.060392|2.056121|3.193323|1.720274|1.530202|1.454598|1.526535|1.714534|1.842232|3.771424|73.516695| |6.250364|7.949527|0.202484|5.250536|6.649914|3.686549|5.631626|3.288508|0.093961|3.342189|3.669139|2.427321|2.596423|2.380755|2.005722|2.632084|0.048733|0.055385|2.011510|2.389956|2.483793|4.686307|2.079844|0.056307|1.929720|3.018840|1.612285|1.443275|1.366204|1.419506|1.578915|1.701471|3.440388|24.721079|36.858105| |4.871464|6.161052|0.189556|4.413549|5.991699|3.511581|5.381843|3.256718|0.097396|3.243046|3.636216|2.446779|2.583206|2.418663|2.026919|2.604410|0.048288|0.054473|1.962947|2.309791|2.448687|4.550683|2.071612|0.057042|1.915257|3.013653|1.602026|1.435195|1.354609|1.401794|1.555654|1.681668|3.391977|14.126677|13.750846|36.858105| |3.840991|4.348781|0.130734|3.354704|4.546844|2.811806|4.425876|2.684969|0.080231|2.707827|3.158962|2.142471|2.214419|2.098755|1.797487|2.307883|0.043257|0.047995|1.732987|1.996044|2.176944|4.057693|1.882300|0.052126|1.770251|2.813568|1.489060|1.344844|1.267222|1.300782|1.429642|1.544330|3.073411|9.257645|7.935885|13.754663|36.858105| |3.619597|3.826805|0.108394|3.008373|3.978549|2.474010|3.945041|2.354907|0.068676|2.417834|2.853629|1.923875|1.979106|1.865004|1.623244|2.111958|0.039836|0.043921|1.596185|1.823315|2.002767|3.778600|1.745413|0.047940|1.666488|2.656808|1.406215|1.277187|1.204531|1.232363|1.346742|1.450824|2.864215|8.230770|6.938744|8.007151|13.825409|36.858105| |4.064245|4.135232|0.110035|3.222651|4.139092|2.525459|4.029017|2.361267|0.067285|2.452930|2.864948|1.911409|1.981204|1.844007|1.609684|2.123100|0.040024|0.044315|1.619296|1.858426|2.019376|3.850792|1.748668|0.047459|1.674868|2.658857|1.412181|1.282120|1.211870|1.243352|1.360488|1.462193|2.890138|9.301189|7.938423|6.865377|7.907831|13.822249|36.858105| |5.358840|5.600394|0.139007|4.126600|5.140695|2.996795|4.711654|2.722714|0.076504|2.828792|3.205823|2.118085|2.232414|2.050399|1.768650|2.347442|0.043914|0.049270|1.802120|2.103538|2.229611|4.261595|1.896648|0.051066|1.795263|2.824731|1.506950|1.359290|1.287298|1.330377|1.467378|1.576692|3.149298|14.277659|13.758262|7.936378|6.864939|8.007059|13.758997|36.858105| |2.939327|3.035297|0.086464|2.490114|3.318098|2.123863|3.434306|2.051107|0.059861|2.106358|2.545669|1.731242|1.762483|1.675797|1.478104|1.921511|0.036502|0.039819|1.446893|1.629761|1.806577|3.397945|1.601059|0.044180|1.544378|2.485745|1.314031|1.201878|1.133461|1.153324|1.251060|1.345097|2.628802|6.223119|4.677185|5.309426|8.171611|14.350178|8.165429|5.308124|97.533100| |17.554334|8.845523|0.212501|6.878385|6.278136|3.780813|6.705595|2.964248|0.081099|2.701781|3.067408|2.168104|2.496378|2.419862|2.083620|2.831984|0.052601|0.062368|2.089693|2.428506|2.020168|3.636737|1.754354|0.047512|1.601035|2.573640|1.423939|1.295251|1.260079|1.335506|1.477617|1.535202|3.059414|10.053196|4.732054|4.043425|3.309952|3.096183|3.357783|4.136171|5.847757|0.500000| |17.593836|8.824480|0.212805|5.504034|5.646629|3.311741|5.558810|2.751588|0.076731|2.616428|2.972547|2.059004|2.290766|2.188576|1.886830|2.530392|0.047235|0.054615|1.888805|2.190978|1.993710|3.654019|1.725092|0.046765|1.595617|2.554077|1.395669|1.268795|1.223525|1.283430|1.414873|1.486189|2.956438|12.393484|6.747995|5.330734|4.344523|4.183385|4.737144|6.121736|7.540400|0.301891|0.500000| |17.563685|8.834896|0.173457|6.884691|6.357254|3.648561|6.166137|2.930830|0.078390|2.824045|3.165813|2.166050|2.443292|2.277929|1.971526|2.708789|0.050378|0.058853|2.059025|2.417691|2.124064|3.916439|1.821917|0.048672|1.682088|2.677167|1.472205|1.334650|1.291519|1.363868|1.511217|1.581360|3.160329|12.563222|5.579251|4.206327|3.432055|3.366897|3.935139|5.256829|6.234826|0.300247|0.301092|0.500000| |6.788278|8.854393|0.215960|17.657895|12.557272|7.420663|13.833643|4.685236|0.121224|3.890669|4.188698|2.991753|3.732550|3.533694|2.879102|3.947880|0.070638|0.089014|2.932459|3.632799|2.615544|4.590210|2.211603|0.059551|1.947646|3.091335|1.725730|1.544639|1.505172|1.621591|1.834695|1.907609|3.904069|10.303866|4.251123|3.785757|2.989122|2.684198|2.824557|3.469073|5.107911|0.201701|0.139696|0.166614|0.500000| |7.042397|8.896545|0.174584|17.560686|12.428268|6.293039|10.147556|4.405916|0.109390|4.139770|4.334626|2.918580|3.476160|3.072771|2.565921|3.587974|0.064832|0.078750|2.807349|3.522705|2.788676|5.076867|2.307692|0.060756|2.064241|3.227755|1.788657|1.593239|1.542329|1.654353|1.875761|1.969172|4.049473|12.869801|4.792752|3.874402|3.053830|2.841861|3.137182|4.048523|5.339896|0.174064|0.142680|0.211007|0.301537|0.500000| |4.714688|7.303423|0.182578|9.136816|26.042753|9.388055|10.833766|7.467728|0.189796|7.356337|6.426050|4.049083|4.701097|3.861527|2.996843|3.938401|0.069732|0.082938|3.125166|4.151366|3.884569|7.064167|2.991516|0.079444|2.589147|3.923085|2.121883|1.841668|1.744165|1.857052|2.144838|2.334632|4.987023|14.631343|5.622504|5.009250|3.712117|3.223450|3.357721|4.225981|5.962912|0.115200|0.112788|0.123638|0.180771|0.207780|0.500000| |2.985283|3.743260|0.096943|4.617358|8.915398|6.927380|9.154155|8.677546|0.174757|17.581792|12.385325|6.054856|6.395818|4.300616|3.459623|4.720775|0.082581|0.094512|4.218380|6.168180|6.995782|12.442198|4.599433|0.112672|3.722514|5.321604|2.894847|2.404803|2.251190|2.438560|2.952695|3.327097|7.725254|7.226739|3.341789|3.111243|2.601017|2.374310|2.466686|2.887190|4.643617|0.077041|0.074138|0.083154|0.111443|0.128120|0.203853|0.500000| |2.982439|3.861287|0.104950|4.324488|8.511035|6.141699|7.945644|8.666996|0.224199|17.605352|12.340924|6.039666|5.699978|4.187500|3.268411|4.152819|0.073629|0.082483|3.448551|4.594342|6.972238|12.567047|4.555542|0.119553|3.723902|5.307090|2.774079|2.308917|2.121591|2.240105|2.656199|3.055898|6.928656|7.805445|3.791421|3.735409|3.089292|2.723073|2.738758|3.157822|5.283700|0.075949|0.076232|0.080368|0.103608|0.111881|0.222104|0.303152|0.500000| |2.011084|2.357896|0.065676|2.707668|4.564336|4.073182|6.694047|5.707438|0.142740|5.788252|12.394157|17.673991|8.618060|6.252564|5.933417|7.190723|0.126021|0.121283|6.620186|7.088105|6.968932|8.670263|7.197932|0.209018|4.589771|7.241985|4.310907|3.414108|3.236944|3.696342|4.929436|5.647450|14.550813|4.246090|2.147990|2.153624|1.914910|1.741785|1.736420|1.908365|3.561574|0.054522|0.051694|0.054615|0.073287|0.072074|0.093250|0.138132|0.129788|0.500000| |2.166053|2.601551|0.074437|2.918527|5.071856|4.511088|7.079328|6.940857|0.205100|6.460453|12.322456|17.503000|8.779247|7.120547|5.586044|5.976750|0.104376|0.107624|4.710995|5.506826|6.252475|8.287732|5.667796|0.182498|3.972685|6.198745|3.424713|2.811814|2.618357|2.837315|3.472715|3.974845|9.146776|4.700296|2.404286|2.483936|2.193781|1.948646|1.906734|2.088264|3.965508|0.058442|0.056088|0.057677|0.078497|0.075030|0.105494|0.136497|0.155753|0.301721|0.500000| |2.333611|2.793131|0.082459|3.186245|5.381434|5.170525|9.095494|6.714790|0.212751|4.722036|6.669728|7.001701|8.784624|17.561736|8.990197|7.643873|0.127069|0.145070|4.885742|5.478229|3.710545|5.571624|3.398447|0.101470|2.685667|4.385221|2.499548|2.180772|2.120293|2.327741|2.729528|2.866055|6.032936|4.730372|2.391832|2.488751|2.174707|1.911002|1.862777|2.049709|3.878231|0.064931|0.059853|0.060815|0.090908|0.079057|0.103160|0.109048|0.115719|0.160261|0.222808|0.500000| |2.633883|3.144829|0.091659|3.810116|6.321064|6.721966|14.329713|7.037255|0.188940|4.574184|5.881966|5.484306|8.863784|17.605120|8.917722|9.447478|0.145404|0.210338|5.627922|6.648580|3.319378|5.161926|2.968186|0.084162|2.407370|3.914753|2.258715|1.993427|1.968985|2.189288|2.557197|2.613479|5.461275|5.091045|2.489416|2.515490|2.161026|1.915616|1.900042|2.128508|3.852330|0.074867|0.065866|0.068655|0.114522|0.093741|0.112227|0.113199|0.108660|0.131314|0.146153|0.303614|0.500000| |1.893064|2.169784|0.061827|2.482269|3.972935|3.631034|6.689358|4.394178|0.118110|3.700515|5.840226|6.303255|6.606886|8.704739|17.616549|12.446089|0.222276|0.181095|7.066306|5.742828|3.535593|5.188266|3.602040|0.107219|2.820688|4.823758|2.927087|2.584762|2.612281|3.008167|3.594712|3.530119|7.127227|3.726890|1.898172|1.925727|1.725064|1.563653|1.546571|1.686531|3.222718|0.052852|0.048703|0.050702|0.070783|0.064897|0.077044|0.092407|0.088706|0.195157|0.170731|0.212774|0.172971|0.500000| |1.973969|2.241751|0.064736|2.567726|3.992434|3.670497|7.237321|4.045468|0.111388|3.227014|4.650593|4.506817|5.438942|8.778012|17.626537|12.352924|0.224137|0.221844|5.590236|4.861591|2.835900|4.356097|2.775509|0.080978|2.277720|3.879483|2.310307|2.090087|2.120621|2.395152|2.746443|2.684198|5.313531|3.736044|1.899121|1.932470|1.726521|1.558994|1.538882|1.679909|3.210381|0.056163|0.050631|0.052306|0.075697|0.066170|0.075217|0.081948|0.079133|0.125168|0.125164|0.211907|0.216701|0.301124|0.500000| |1.915162|2.179054|0.059965|2.562810|4.092665|3.700614|6.735594|4.387456|0.105831|4.087903|6.677197|6.371837|6.593890|5.743789|7.059171|12.437643|0.222250|0.181051|17.634063|8.706807|4.196978|6.092843|4.306081|0.115645|3.310671|5.560859|3.547060|3.053306|3.156128|3.902627|5.142253|4.734518|9.947484|3.801587|1.902470|1.871113|1.668434|1.539517|1.554571|1.714493|3.159203|0.052970|0.048737|0.052565|0.071769|0.069714|0.079753|0.110122|0.093197|0.227996|0.140092|0.129443|0.131743|0.216206|0.144911|0.500000| |2.018792|2.261036|0.061263|2.729183|4.211854|3.801117|7.348559|4.041940|0.095150|3.693338|5.393057|4.554699|5.435657|4.871410|5.592668|12.353234|0.224057|0.221996|17.627259|8.793149|3.440261|5.331064|3.330649|0.087207|2.734381|4.553274|2.843665|2.528538|2.639696|3.199516|3.924250|3.584133|7.250967|3.870435|1.907723|1.842006|1.633567|1.519505|1.553234|1.728999|3.106576|0.056442|0.050728|0.056008|0.077873|0.075829|0.079756|0.105737|0.084823|0.139036|0.104177|0.107583|0.126478|0.145001|0.126477|0.301301|0.500000| |2.699455|3.172257|0.085057|4.161807|6.902443|7.233172|14.755208|6.982549|0.143984|5.515303|6.887787|5.532223|8.793087|6.616655|5.602765|9.419181|0.145215|0.209363|8.942611|17.626460|3.943680|6.213901|3.388734|0.088677|2.740003|4.340353|2.552939|2.218804|2.207813|2.520682|3.046622|3.075755|6.652368|5.309072|2.498288|2.380305|2.037722|1.864928|1.915954|2.192276|3.729459|0.075140|0.065891|0.074166|0.119149|0.113162|0.122310|0.160711|0.118504|0.141410|0.123261|0.136320|0.189748|0.131473|0.125867|0.173307|0.218209|0.500000| |2.402613|2.821203|0.075209|3.504267|5.943574|5.530037|9.262395|6.667643|0.137372|6.796527|9.876424|7.222458|8.757623|5.486216|4.891652|7.648782|0.127223|0.144883|9.026458|17.586312|5.635356|8.396603|4.693691|0.115584|3.592725|5.500570|3.264592|2.723745|2.668782|3.086500|3.950833|4.134984|9.765052|5.003919|2.403347|2.294622|1.989650|1.834801|1.885538|2.138470|3.689668|0.065153|0.059842|0.066816|0.094391|0.097510|0.115793|0.207179|0.136568|0.195660|0.142970|0.123252|0.136802|0.129918|0.107616|0.214234|0.212327|0.303179|0.500000| |1.697593|1.920499|0.051755|2.090633|3.299233|2.534899|4.076663|3.008322|0.077752|3.766896|6.399959|3.864394|3.117751|2.561707|2.445090|3.318217|0.063686|0.062438|2.911798|3.128476|6.916493|12.764598|8.876822|0.174437|17.601749|16.499524|7.089890|4.959051|3.922109|3.816410|4.565090|6.493226|12.768391|3.683351|1.933360|1.891043|1.744490|1.657693|1.684811|1.814694|3.449526|0.044779|0.044618|0.047606|0.054305|0.058625|0.071861|0.105757|0.100330|0.114394|0.097401|0.069315|0.064125|0.072792|0.059888|0.089021|0.076304|0.076289|0.101253|0.500000| |1.685335|1.922153|0.052581|2.048929|3.258797|2.485946|3.953015|3.010169|0.081119|3.742807|6.405766|3.912897|3.049641|2.562788|2.405964|3.136617|0.060021|0.059079|2.646059|2.865713|6.829442|12.336594|8.827668|0.213496|17.678278|16.873274|5.934192|4.369427|3.412255|3.233862|3.734809|5.120280|10.141678|3.714662|1.987820|1.989181|1.853397|1.744645|1.742824|1.853374|3.650173|0.044326|0.044737|0.046689|0.053124|0.056381|0.071942|0.098792|0.105054|0.111712|0.105387|0.071725|0.063728|0.072129|0.059499|0.080489|0.067794|0.070194|0.088736|0.300645|0.500000| |1.270014|1.397755|0.038385|1.499210|2.280723|1.780863|3.010354|2.036974|0.054595|2.247258|3.644818|2.634825|2.223923|2.018508|2.077238|2.804645|0.056770|0.052092|2.310610|2.235346|3.102014|5.145711|4.060177|0.110660|4.867959|13.197746|8.997074|17.738733|8.867453|5.631226|4.959116|5.671644|7.498945|2.591793|1.386460|1.382701|1.305278|1.244055|1.246212|1.312659|2.648057|0.034210|0.033739|0.035308|0.040238|0.041570|0.047996|0.061217|0.059820|0.082259|0.070758|0.055498|0.050658|0.063920|0.052743|0.072859|0.061650|0.055459|0.066781|0.126013|0.117851|0.500000| |1.202341|1.310857|0.035974|1.419520|2.133817|1.686436|2.917706|1.891379|0.050228|2.016756|3.207234|2.410296|2.117799|1.966617|2.101986|2.921637|0.060856|0.053989|2.389956|2.201486|2.582530|4.232139|3.192304|0.086812|3.371680|7.543219|5.654004|8.947036|17.734509|8.900729|5.650168|4.961198|6.500012|2.390404|1.268959|1.259274|1.184270|1.129618|1.135923|1.201321|2.402249|0.032712|0.031801|0.033478|0.038612|0.039484|0.044113|0.055527|0.052664|0.076539|0.063846|0.053169|0.049675|0.064807|0.053830|0.076025|0.065381|0.054983|0.064819|0.091402|0.081662|0.213742|0.500000| |1.311166|1.432590|0.039215|1.582034|2.384498|1.926125|3.390187|2.153580|0.056082|2.247026|3.585978|2.787298|2.508555|2.330430|2.586191|3.756627|0.080134|0.068041|3.152781|2.728464|2.776790|4.430152|3.344483|0.089353|3.209687|6.510295|4.950728|5.645550|8.896521|17.729889|8.935433|5.654286|7.529497|2.577713|1.347536|1.328748|1.234150|1.171335|1.183174|1.265503|2.469826|0.035922|0.034334|0.036531|0.043447|0.044088|0.048538|0.062375|0.057004|0.091511|0.071529|0.061263|0.058562|0.080304|0.065322|0.103738|0.088312|0.067330|0.079999|0.088364|0.076161|0.123747|0.214197|0.500000| |1.578958|1.758392|0.047957|1.990085|3.083683|2.566136|4.486817|2.967365|0.074760|3.118794|5.234791|4.176761|3.665579|3.214106|3.573798|5.361357|0.110264|0.093187|5.069635|4.199033|3.965042|5.966049|4.811683|0.122633|4.071003|7.515935|5.658017|4.957288|5.637534|8.881116|17.715809|8.973455|13.171652|3.160201|1.621416|1.590861|1.451870|1.364572|1.382241|1.500253|2.839898|0.043149|0.040861|0.043932|0.054470|0.055355|0.062481|0.086697|0.075751|0.148565|0.100065|0.081620|0.078368|0.112716|0.085081|0.186715|0.137834|0.097245|0.127453|0.111876|0.092586|0.107636|0.123872|0.213990|0.500000| |4.633927|6.280136|0.215564|4.697405|6.722157|3.982847|6.017060|3.714274|0.115325|3.567546|3.964102|2.704752|2.882881|2.727406|2.239760|2.832853|0.052158|0.059252|2.115898|2.508191|2.606384|4.751817|2.196295|0.061049|1.997162|3.142154|1.674064|1.493550|1.410409|1.464972|1.633871|1.767760|3.589872|12.836717|8.918172|17.723189|8.922856|5.676739|4.948618|5.646746|9.607741|0.111440|0.133704|0.109024|0.113676|0.109438|0.154874|0.092242|0.114525|0.065191|0.077247|0.079026|0.079127|0.058793|0.059337|0.055900|0.054545|0.071604|0.068274|0.054262|0.057463|0.039823|0.036318|0.038537|0.046548|0.500000| |3.290823|3.704729|0.114304|2.980794|4.118348|2.629922|4.177775|2.561204|0.077805|2.557293|3.043971|2.092929|2.143510|2.060974|1.772308|2.252370|0.042356|0.046658|1.677416|1.913219|2.099133|3.871527|1.837669|0.051437|1.728691|2.767384|1.462521|1.324616|1.247221|1.276369|1.398161|1.510351|2.991551|7.455567|5.631873|8.859418|17.744231|8.965973|5.648073|4.950196|16.725801|0.081594|0.101539|0.081730|0.075537|0.075016|0.092114|0.067237|0.080695|0.052081|0.060354|0.060088|0.058668|0.047441|0.047564|0.045100|0.043752|0.053855|0.052666|0.046932|0.050456|0.035804|0.032433|0.033639|0.039332|0.213237|0.500000| 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