Version2.0 2020-03-02T12:26:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 31-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)Oc1ccc(cc1OC)[C@H]2CN3C(=O)CN(C(=O)[C@@]3([C@@H]4C2=c5ccccc5=[NH+]4)C)CCOC C63372592 RHF 6-31G(d) (6D,7F) CC(C)Oc1ccc(cc1OC)[C@H]2CN3C(=O)CN(C(=O)[C@@]3([C@@H]4C2=c5ccccc5=[NH+]4)C)CCOC C01[X(C28H34N3O5)] 204 C1 608 COCCN1CC(=O)N2[C@@](C1=O)(C)[C@H]1[NH+]=c3c(=C1[C@H](C2)c1ccc(c(c1)OC)OC(C)C)cccc3 COCCN1CC(=O)N2[C@@](C1=O)(C)[C@H]1[NH+]=c3c(=C1[C@H](C2)c1ccc(c(c1)OC)OC(C)C)cccc3 COCCN1CC(=O)N2C[C@H](c3ccc(OC(C)C)c(OC)c3)C4=C5C=CC=CC5=[NH+][C@@H]4[C@@]2(C)C1=O InChIKey=KAJCIYHESKBHIE-PBZMZIQDSA-O InChI=1S/C28H33N3O5/c1-17(2)36-22-11-10-18(14-23(22)35-5)20-15-31-24(32)16-30(12-13-34-4)27(33)28(31,3)26-25(20)19-8-6-7-9-21(19)29-26/h6-11,14,17,20,26H,12-13,15-16H2,1-5H3/p+1/t20-,26+,28+/m1/s1 InChI=1/C28H33N3O5/c1-17(2)36-22-11-10-18(14-23(22)35-5)20-15-31-24(32)16-30(12-13-34-4)27(33)28(31,3)26-25(20)19-8-6-7-9-21(19)29-26/h6-11,14,17,20,26H,12-13,15-16H2,1-5H3/p+1/t20-,26+,28+/m1/s1/fC28H34N3O5/h29H/q+1 CC(C)Oc1ccc(cc1OC)[C@H]2CN3C(=O)CN(C(=O)[C@@]3([C@@H]4C2=c5ccccc5=[NH+]4)C)CCOC C01[X(C28H34N3O5)] 204 C01 608 COCCN1CC(=O)N2[C@@](C1=O)(C)[C@H]1[NH+]=c3c(=C1[C@H](C2)c1ccc(c(c1)OC)OC(C)C)cccc3 COCCN1CC(=O)N2[C@@](C1=O)(C)[C@H]1N[C@H]3C(=C1[C@H](C2)c1ccc(c(c1)OC)OC(C)C)C=CC=C3 COCCN1CC(=O)N2C[C@H](c3ccc(OC(C)C)c(OC)c3)C4=C5C=CC=C[C@H]5N[C@@H]4[C@@]2(C)C1=O InChIKey=LZZCCNHAHQXPKK-IJUVVNPQSA-N InChI=1S/C28H35N3O5/c1-17(2)36-22-11-10-18(14-23(22)35-5)20-15-31-24(32)16-30(12-13-34-4)27(33)28(31,3)26-25(20)19-8-6-7-9-21(19)29-26/h6-11,14,17,20-21,26,29H,12-13,15-16H2,1-5H3/t20-,21-,26+,28+/m1/s1 InChI=1/C28H35N3O5/c1-17(2)36-22-11-10-18(14-23(22)35-5)20-15-31-24(32)16-30(12-13-34-4)27(33)28(31,3)26-25(20)19-8-6-7-9-21(19)29-26/h6-11,14,17,20-21,26,29H,12-13,15-16H2,1-5H3/t20-,21-,26+,28+/m1/s1 3993.0334590622 -1617.5691103 1-A 22680.4904 131 477 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.66734 -20.65876 -20.65116 -20.64180 -20.63732 -15.75265 -15.71336 -15.70930 -11.47049 -11.46817 -11.46399 -11.43358 -11.43057 -11.42826 -11.40601 -11.39126 -11.38752 -11.38645 -11.38425 -11.38240 -11.38200 -11.38083 -11.37307 -11.36785 -11.36519 -11.36012 -11.35876 -11.35575 -11.34887 -11.34433 -11.34059 -11.32849 -11.32616 -11.32068 -11.28121 -11.27687 -1.52092 -1.50983 -1.50909 -1.48250 -1.47499 -1.46675 -1.39412 -1.36634 -1.29045 -1.26845 -1.23967 -1.20244 -1.17738 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850.0395 854.0490 861.4040 869.8148 916.9555 925.6566 929.4880 932.6482 950.7960 952.9124 977.0572 982.7330 1021.9823 1022.5150 1027.6709 1033.7041 1051.0257 1056.3884 1062.5414 1073.8895 1106.0741 1112.7575 1126.1864 1132.7749 1139.0841 1141.6141 1156.8355 1165.5224 1173.7931 1182.0284 1191.2855 1213.7912 1232.7674 1241.8084 1254.2745 1260.3793 1263.9656 1271.0607 1277.9564 1284.1261 1293.1997 1294.2464 1295.2533 1313.2574 1315.2872 1327.6566 1330.7228 1333.6466 1336.2210 1346.5563 1368.6394 1382.1552 1391.1191 1394.4637 1405.0228 1413.2160 1425.9371 1439.2082 1447.8832 1459.4222 1468.1547 1477.1737 1495.2002 1506.1517 1512.5195 1528.9481 1530.1130 1532.3563 1544.5882 1551.5796 1560.0384 1567.9255 1571.7744 1577.5487 1578.4606 1587.8602 1595.9063 1626.2924 1628.3561 1628.3942 1631.5579 1635.8987 1637.6856 1638.6265 1639.4066 1639.7676 1643.5422 1644.9653 1651.8984 1655.1571 1656.2273 1657.0156 1663.1572 1680.6044 1687.3199 1703.5915 1731.9813 1766.2518 1781.5427 1800.9677 1845.4233 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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 9163.7963 33645.4749 37807.5148 1.00000 -0.00023 0.00023 0.00023 0.99998 -0.00700 -0.00023 0.00700 0.99998 1 0.00945 0.00257 0.00229 0.19694 0.05364 0.04773 22.00 28.94 29.56 36.81 58.26 68.74 72.58 94.67 105.65 118.59 132.71 142.94 148.92 167.90 180.40 203.47 219.34 247.19 256.53 276.55 310.13 324.02 329.09 337.84 354.14 363.17 369.37 384.62 404.36 418.98 438.42 449.41 461.65 489.19 507.20 518.69 530.83 558.01 587.14 597.82 639.45 663.11 680.56 701.40 706.93 732.26 735.96 755.36 765.86 790.73 820.39 842.25 878.93 898.13 932.34 947.52 952.26 986.43 1001.30 1045.82 1074.64 1094.77 1124.23 1148.77 1162.94 1187.46 1210.27 1223.02 1228.79 1239.37 1251.47 1319.29 1331.81 1337.33 1341.87 1367.98 1371.03 1405.77 1413.93 1470.40 1471.17 1478.59 1487.27 1512.19 1519.91 1528.76 1545.09 1591.39 1601.01 1620.33 1629.81 1638.89 1642.53 1664.43 1676.93 1688.83 1700.68 1713.99 1746.37 1773.68 1786.69 1804.62 1813.40 1818.56 1828.77 1838.69 1847.57 1860.63 1862.13 1863.58 1889.48 1892.40 1910.20 1914.61 1918.82 1922.52 1937.39 1969.17 1988.61 2001.51 2006.32 2021.51 2033.30 2051.61 2070.70 2083.18 2099.78 2112.35 2125.32 2151.26 2167.02 2176.18 2199.82 2201.49 2204.72 2222.32 2232.38 2244.55 2255.90 2261.43 2269.74 2271.05 2284.58 2296.15 2339.87 2342.84 2342.90 2347.45 2353.69 2356.26 2357.62 2358.74 2359.26 2364.69 2366.74 2376.71 2381.40 2382.94 2384.08 2392.91 2418.01 2427.68 2451.09 2491.93 2541.24 2563.24 2591.19 2655.15 2733.88 2844.90 4573.78 4597.75 4607.76 4615.88 4627.31 4629.86 4633.48 4644.16 4646.98 4648.70 4653.18 4666.78 4676.85 4695.01 4707.72 4724.57 4732.91 4737.63 4747.37 4751.90 4757.78 4775.65 4789.01 4813.69 4848.14 4848.33 4863.72 4874.88 4883.97 4900.81 4909.06 4917.61 4967.23 5531.52 0.634311 0.666451 0.667395 0.567858 -1616.934799 -1616.902660 -1616.901715 -1617.001253 3.338521D-04 MUNgauss RevisionA2.0 retrievium 02-Mar-2020 DUDE CC(C)Oc1ccc(cc1OC)[C@H]2CN3C(=O)CN(C(=O)[C@@]3([C@@H]4C2=c5ccccc5=[NH+]4)C)CCOC C63372592 RHF 6-31G(d) (6D,10F) C1 492.249846 |X|Y|Z| 131.537142 61.258990 40.320838 68.746289 23 6 7 20 3 |36.858105| |12.506643|36.858105| |7.534831|12.540909|36.858105| |7.862060|13.383611|8.131054|73.516695| |6.095105|7.866758|5.279699|25.392078|36.858105| |5.612797|6.520342|4.405584|14.014001|13.824129|36.858105| |4.076621|4.414627|3.340289|9.222622|7.887231|13.644817|36.858105| |3.449056|3.727193|2.982402|8.184224|6.784464|7.913172|13.857541|36.858105| |3.560558|3.945360|3.222378|9.435625|7.891311|6.908776|7.979011|13.586808|36.858105| |4.423600|5.193163|4.119093|14.577065|13.455736|7.927616|6.858126|7.860114|13.836165|36.858105| |4.089511|4.796541|4.190753|13.218690|8.179471|5.309130|4.631769|5.182538|7.917319|14.243115|73.516695| |3.190523|3.553757|3.260031|8.553538|5.238595|3.989736|3.798155|4.500054|6.726704|8.021604|24.168368|36.858105| |2.736783|2.880821|2.411427|5.990258|4.404599|4.989884|7.510228|12.552197|7.572988|5.018204|6.881250|3.687966|36.858105| |2.544369|2.666116|2.279008|5.602521|4.000093|4.206837|5.618889|8.956494|7.446600|4.846015|6.988751|3.975264|17.514290|0.500000| |2.615129|2.636985|2.205948|5.249977|3.705916|4.338501|6.222022|7.482025|5.172876|3.937394|5.633344|3.014513|12.340664|0.249630|36.858105| |2.178911|2.197349|1.891811|4.301519|2.907802|3.280118|4.287358|4.956595|3.895436|3.099077|4.665716|2.575908|7.628799|0.194121|13.027255|53.358707| |2.027124|2.002865|1.740440|3.869975|2.552140|2.824678|3.497359|3.896632|3.262881|2.700716|4.177081|2.329280|5.199797|0.142683|7.908862|18.946620|36.858105| |2.117528|2.052888|1.776593|3.959277|2.598289|2.851386|3.457305|3.806847|3.262677|2.743030|4.264583|2.374400|4.725064|0.131613|7.050836|11.499518|15.958387|73.516695| |1.753599|1.738255|1.536789|3.316881|2.138152|2.338317|2.796152|3.041247|2.635927|2.245203|3.553567|1.998002|3.865716|0.107401|5.032477|10.523849|12.615436|14.488481|36.858105| |1.651608|1.663577|1.483660|3.182923|2.046032|2.224561|2.653859|2.911411|2.541982|2.160505|3.438074|1.945615|3.751379|0.104933|4.467304|9.251607|7.621752|9.489944|13.177554|53.358707| |1.727767|1.765396|1.569726|3.395204|2.204204|2.418380|2.938793|3.248778|2.777937|2.329635|3.665022|2.061720|4.340975|0.118327|4.943532|10.360005|6.618808|8.326561|7.830656|19.474122|36.858105| |1.618596|1.670478|1.501269|3.205720|2.060534|2.239263|2.671002|2.932943|2.561812|2.176707|3.463016|1.956153|3.778918|0.103647|3.980074|7.285382|4.675399|6.437546|5.346887|11.523683|15.755812|73.516695| |1.999738|2.052569|1.790672|3.979221|2.652184|2.994351|3.835295|4.282942|3.427349|2.791388|4.253184|2.346942|6.254608|0.156071|7.599157|17.760701|7.724598|9.494333|6.710965|10.516394|12.395655|14.424034|36.858105| |2.047996|2.157430|1.891995|4.268716|2.874703|3.184240|4.096695|4.857008|3.933303|3.110768|4.722217|2.629686|7.455318|0.189936|6.599443|10.808448|5.237867|7.338040|4.565429|7.205946|7.749970|12.637038|12.256368|36.858105| |1.949451|2.048329|1.814993|4.088321|2.726474|2.920958|3.644776|4.468310|3.859248|3.034432|4.710738|2.701844|6.697385|0.200480|5.785653|9.692140|5.125036|7.277145|4.558952|7.354401|7.431204|12.417871|8.871504|17.531766|0.500000| |2.407285|2.586254|2.220813|5.244540|3.688643|4.172370|5.778904|7.434767|5.427291|4.040173|5.829055|3.156037|12.685782|0.255705|7.726115|9.234150|4.576411|6.952598|3.735981|5.349915|4.970876|8.120255|7.440338|12.685610|0.251606|36.858105| |2.368467|2.617933|2.277890|5.265147|3.630652|4.083002|5.275692|6.045384|4.817226|3.861918|5.665751|3.021454|7.220290|0.164579|5.155903|6.355567|3.497230|5.473323|3.031769|4.413358|4.045905|7.109263|5.370641|8.193213|0.178035|14.038365|36.858105| |2.590500|2.984005|2.602697|6.051670|4.159377|4.613034|5.504241|5.817852|4.988916|4.294874|6.274982|3.227100|5.568115|0.131466|4.119721|4.888072|2.859955|4.658787|2.500743|3.553543|3.099316|5.468878|3.869491|5.061266|0.122004|7.372734|13.151607|36.858105| |2.328543|2.692711|2.429751|5.287781|3.426943|3.703805|4.096753|4.144255|3.769739|3.454836|5.331760|2.776849|4.028288|0.099871|3.242966|4.030133|2.441947|3.989460|2.206058|3.174031|2.747901|4.995488|3.260563|4.103148|0.101327|5.120666|7.940637|14.205407|36.858105| |1.996677|2.246285|2.055067|4.327570|2.751121|2.969739|3.315449|3.392550|3.077156|2.794757|4.415885|2.363842|3.526550|0.089331|2.974329|3.892163|2.378449|3.825247|2.212134|3.268621|2.875669|5.428958|3.295959|4.157881|0.102479|4.638958|6.852023|7.848386|13.168779|36.858105| |1.882602|2.071518|1.881703|3.995457|2.564008|2.790267|3.220969|3.380727|2.999057|2.643490|4.163182|2.265235|3.763853|0.095789|3.231253|4.414074|2.656891|4.170193|2.507428|3.818166|3.486245|6.818623|3.958363|5.212737|0.125017|5.286144|7.615402|6.599241|7.720083|14.079761|36.858105| |2.019386|2.200951|1.960703|4.311424|2.848225|3.146522|3.835186|4.198314|3.558995|2.991063|4.594264|2.505930|5.075178|0.125829|4.198396|5.783135|3.288930|5.034714|3.022980|4.636238|4.434736|8.455171|5.440850|8.404089|0.181081|8.430627|13.122792|7.631500|6.825441|8.074927|13.432605|36.858105| |1.896059|2.022277|1.801188|3.945679|2.597200|2.861111|3.518514|3.925422|3.315967|2.752319|4.261323|2.362485|5.133973|0.131403|4.561899|6.968650|3.877783|5.684735|3.656799|5.939906|6.241729|12.530179|7.509901|13.226611|0.256016|8.277882|8.413665|5.284008|4.664222|5.271827|7.752306|14.557808|53.358707| |1.728273|1.830053|1.646917|3.534382|2.286456|2.494282|2.987081|3.273939|2.841436|2.410444|3.800785|2.123843|4.136676|0.109297|3.878256|6.155593|3.632263|5.316988|3.624253|6.181994|6.598957|15.615201|6.627960|8.928426|0.209537|5.843767|5.881640|4.211410|3.933168|4.611972|6.743925|9.170155|25.954719|0.500000| |2.011184|2.058950|1.790788|3.896971|2.570992|2.991685|3.785420|3.866895|3.062606|2.596099|3.945584|2.126756|4.997261|0.118149|6.097418|10.389782|5.739626|7.881764|5.334408|7.794874|7.680465|11.127059|12.370939|7.397689|0.152164|5.920737|4.964219|3.776672|3.280948|3.358901|3.995435|5.171679|8.728174|0.163134|36.858105| |1.466283|1.475722|1.332985|2.802667|1.771556|1.901466|2.207196|2.389415|2.145589|1.864157|3.020080|1.720184|2.935824|0.082964|3.329306|6.086824|4.988099|7.121031|7.687021|17.748126|7.893555|12.284883|4.988061|3.965467|0.114623|3.090814|2.683126|2.229935|2.044451|2.134669|2.476918|2.876911|4.864680|0.107531|4.216849|36.858105| |1.399023|1.397577|1.264785|2.620172|1.641549|1.772729|2.032772|2.142707|1.921303|1.699153|2.757787|1.554936|2.550290|0.070494|2.932454|5.101223|4.251882|6.391596|6.335520|10.458136|5.581644|8.988578|4.094790|3.248716|0.090039|2.657655|2.361874|2.009043|1.863348|1.945118|2.225113|2.520044|4.112904|0.090269|3.872882|12.505270|36.858105| |1.445208|1.447510|1.305181|2.697176|1.693530|1.853899|2.136645|2.213931|1.953380|1.731861|2.787076|1.553148|2.627379|0.070730|3.041573|5.243277|4.161691|6.176401|5.759433|9.394127|5.837973|9.545269|4.441622|3.424426|0.090854|2.796180|2.515345|2.131324|1.985769|2.090097|2.408931|2.720574|4.448415|0.098277|4.608493|8.046056|13.695274|73.516695| |1.363542|1.359129|1.231330|2.505527|1.557035|1.703987|1.932045|1.966444|1.748200|1.574911|2.548484|1.413122|2.265669|0.060659|2.598023|4.245067|3.356161|5.242503|4.286695|6.292481|4.133723|6.989768|3.470280|2.800214|0.073962|2.386598|2.195101|1.907445|1.799547|1.891423|2.141843|2.356062|3.712847|0.081128|3.768640|5.206152|8.126037|24.190117|36.858105| |17.560613|8.849393|6.823684|10.086749|4.653268|4.557325|3.497311|2.964897|2.994455|3.564390|5.933828|2.708835|2.432015|0.062776|2.361111|2.726061|1.877826|3.477828|1.644821|2.112008|1.618795|2.706562|1.857507|1.886913|0.049765|2.183410|2.165002|2.360123|2.161514|1.876733|1.768875|1.877272|2.403659|0.045037|1.891855|1.387290|1.334522|2.459111|1.315307|0.500000| |17.576902|8.755200|5.477219|12.483493|6.494188|6.618170|4.776868|3.895184|3.877997|4.658886|7.224379|3.199713|3.051506|0.077689|2.975697|3.304220|2.257301|4.227815|1.925293|2.441555|1.873336|3.088246|2.194560|2.219497|0.058306|2.623924|2.534672|2.724677|2.404497|2.065944|1.969392|2.143124|2.758810|0.051102|2.213424|1.577976|1.506171|2.771803|1.467054|0.301566|0.500000| |17.571055|8.860939|6.917268|12.629681|5.441578|4.695257|3.610743|3.214608|3.436302|4.304801|7.504304|3.334907|2.588747|0.068280|2.472380|2.830989|1.955840|3.661249|1.695938|2.169594|1.655352|2.756899|1.896574|1.943358|0.052014|2.261706|2.205508|2.385465|2.148663|1.858948|1.763348|1.893269|2.438946|0.045569|1.881690|1.421696|1.353495|2.466096|1.307950|0.300674|0.301456|0.500000| |8.837123|17.560014|8.935496|16.505005|7.241758|7.121231|4.729219|3.799598|3.824330|4.764784|7.452356|3.205328|2.950088|0.074292|2.705147|3.067288|2.034178|3.667398|1.770441|2.317606|1.821630|3.073060|2.133288|2.243360|0.058361|2.704910|2.788633|3.236762|2.942024|2.429050|2.216465|2.339369|2.892613|0.053258|2.177129|1.507157|1.431828|2.658937|1.406665|0.212579|0.209743|0.173512|0.500000| |6.861992|8.857357|17.576899|13.050076|4.852453|3.921603|3.072089|2.831678|3.138115|4.038666|7.747652|3.431224|2.311524|0.061665|2.119270|2.486589|1.695002|3.096307|1.497823|1.962977|1.515945|2.574248|1.716760|1.811014|0.048751|2.108473|2.136260|2.401537|2.233749|1.910344|1.766150|1.848080|2.332603|0.043683|1.698330|1.299849|1.231138|2.243917|1.189955|0.167993|0.140598|0.206742|0.174343|0.500000| |5.495045|8.848389|17.583177|13.110903|5.079920|4.223795|3.271732|2.964306|3.227238|4.104433|7.520457|3.315278|2.408588|0.063338|2.165237|2.544541|1.706413|3.066262|1.513933|2.008566|1.572136|2.692966|1.790475|1.917994|0.051134|2.259322|2.361226|2.758362|2.614845|2.187098|1.972762|2.032974|2.512373|0.046823|1.787705|1.328093|1.255796|2.306107|1.221465|0.140057|0.122923|0.141229|0.215511|0.301101|0.500000| |6.854039|8.857365|17.564559|10.265548|4.243007|3.811913|2.981187|2.641099|2.776764|3.392668|6.035521|2.753511|2.186334|0.057247|2.037094|2.403045|1.636068|2.969618|1.456196|1.912321|1.481542|2.523160|1.679844|1.757088|0.046687|2.034486|2.089365|2.364456|2.239104|1.922472|1.764838|1.825311|2.291890|0.043041|1.697695|1.268707|1.212401|2.230233|1.191160|0.203224|0.139839|0.170745|0.213307|0.300422|0.300484|0.500000| |6.324157|7.184630|4.661276|12.507027|8.942993|17.777003|8.949306|5.661557|4.975562|5.630819|7.600465|3.327746|4.084663|0.096758|3.779827|4.030965|2.599812|4.673128|2.191354|2.833962|2.250644|3.722614|2.749199|2.856582|0.072354|3.592584|3.590674|4.053902|3.426988|2.799974|2.616132|2.881162|3.574298|0.064464|2.837845|1.796973|1.698987|3.182495|1.664869|0.148229|0.211318|0.135982|0.249266|0.110836|0.121240|0.116246|0.500000| |3.668761|3.850759|2.989461|7.467400|5.652731|8.965868|17.721715|8.899008|5.641179|4.945295|6.530007|3.134885|6.870757|0.139612|6.609388|6.247481|3.706122|6.405760|2.970260|3.821660|3.132055|5.019151|4.189972|4.266731|0.101538|5.790393|5.290394|5.243409|4.026001|3.365752|3.329470|3.982665|5.031038|0.087301|4.406475|2.315911|2.158018|4.103887|2.092401|0.090922|0.119832|0.089582|0.117858|0.075976|0.081206|0.076278|0.219160|0.500000| |3.035882|3.307100|2.827180|7.622301|5.624731|4.973258|5.675259|8.898864|17.751530|8.980184|12.666178|7.538890|7.088670|0.231793|4.851225|5.273404|3.281015|5.805385|2.673235|3.543150|2.831154|4.662430|3.407015|3.991666|0.114357|5.258219|4.567273|4.518363|3.515834|2.960157|2.936453|3.496145|4.531885|0.079882|2.937028|2.206794|1.947454|3.472833|1.736301|0.072337|0.090247|0.083283|0.088430|0.077911|0.079206|0.068433|0.107954|0.124073|0.500000| |2.842595|3.211040|2.969467|7.501961|4.710777|3.772415|3.727402|4.547650|6.701796|6.997325|16.428609|17.554928|3.858608|0.117529|3.047565|3.598526|2.355601|4.189817|2.034822|2.740800|2.159678|3.680101|2.452782|2.828465|0.081614|3.412833|3.318978|3.562374|3.060010|2.594341|2.479615|2.743396|3.485972|0.063656|2.199689|1.780563|1.595690|2.833988|1.442805|0.068286|0.079506|0.080597|0.083078|0.084770|0.085848|0.070596|0.087596|0.086278|0.227102|0.500000| |3.037729|3.368423|3.239092|7.820943|4.416099|3.420512|3.191413|3.610592|4.909284|5.898360|17.018647|17.665252|3.051221|0.090349|2.580845|3.064629|2.068097|3.758484|1.802723|2.393080|1.849882|3.141254|2.072481|2.295320|0.065495|2.685631|2.608988|2.798530|2.482934|2.141938|2.043755|2.219449|2.854198|0.053004|1.898797|1.574300|1.433047|2.540357|1.309185|0.072517|0.082555|0.090081|0.083307|0.097516|0.091814|0.076159|0.082139|0.075157|0.146962|0.300130|0.500000| |3.069137|3.264502|2.941646|7.576237|4.771414|3.817039|3.764292|4.578230|6.729023|7.070664|16.437176|17.563408|3.864840|0.119554|3.219302|3.737523|2.514659|4.625750|2.133257|2.793660|2.149713|3.583999|2.441764|2.694663|0.077808|3.188382|2.944150|3.025884|2.583405|2.239984|2.189546|2.458090|3.224039|0.059326|2.180983|1.807034|1.626637|2.866312|1.461431|0.072601|0.087555|0.089845|0.082152|0.086023|0.081171|0.070349|0.088613|0.087008|0.224810|0.298463|0.299949|0.500000| |2.710311|2.665737|2.223997|5.324410|3.728960|4.234513|5.703110|6.812032|5.168351|4.006952|5.801745|3.125398|8.870921|0.221280|17.718646|12.584709|7.772267|15.073168|4.814118|5.508532|4.180793|6.069842|5.623350|4.976000|0.131004|5.625602|4.119498|3.504505|2.828671|2.585433|2.755909|3.432547|5.004720|0.089758|4.690632|3.111641|2.771288|4.990577|2.433324|0.067494|0.086584|0.072206|0.074479|0.060053|0.059906|0.056962|0.102358|0.158831|0.136333|0.085625|0.074349|0.095405|0.500000| |2.754186|2.759365|2.278147|5.357220|3.771633|4.691522|6.910824|6.901487|4.672292|3.772508|5.359309|2.786358|8.768134|0.174810|17.598206|12.371176|6.477285|10.595910|4.530486|5.489912|4.473216|6.561058|6.763999|5.688145|0.132002|6.730503|4.995616|4.138355|3.293257|3.007506|3.226797|4.097729|5.868853|0.102583|6.667212|3.087228|2.824586|5.368474|2.633780|0.069673|0.088273|0.070949|0.080168|0.060036|0.061818|0.058924|0.117373|0.237346|0.116136|0.077538|0.067119|0.081057|0.304132|0.500000| |1.670763|1.647524|1.466799|3.145915|2.008425|2.159618|2.531493|2.768185|2.470308|2.124353|3.411993|1.940494|3.419369|0.098039|4.261025|7.999703|9.117990|13.541858|17.628528|12.525761|5.863013|7.903300|5.030348|3.828341|0.110439|3.239474|2.675911|2.255457|2.004727|2.003570|2.243697|2.654754|4.275889|0.086951|4.104405|7.234793|5.998247|8.784723|3.868401|0.043551|0.050728|0.045284|0.046231|0.039983|0.040064|0.038623|0.056210|0.073309|0.070478|0.054681|0.048939|0.058018|0.119401|0.105696|0.500000| |1.726005|1.699148|1.501824|3.200026|2.047831|2.262316|2.678372|2.818868|2.432398|2.110354|3.340252|1.856593|3.453034|0.093104|4.515976|8.541473|9.067288|12.467112|17.544405|12.364913|6.369710|8.334797|5.764032|3.971603|0.105989|3.360849|2.808650|2.358215|2.102935|2.113493|2.378347|2.813030|4.534622|0.092274|5.332515|6.649993|6.748151|11.821032|5.066587|0.045324|0.052757|0.046168|0.048310|0.040529|0.040969|0.039789|0.059804|0.080491|0.067388|0.052191|0.046824|0.054692|0.120271|0.120772|0.302903|0.500000| |2.995428|3.551160|3.023753|7.473242|5.380996|5.918609|6.858809|7.115371|6.263260|5.513379|7.649661|3.755499|5.799898|0.136094|4.188617|4.731065|2.808046|4.685020|2.411318|3.343511|2.840758|4.905356|3.543881|4.404553|0.109470|6.505348|8.701807|17.802016|9.040766|5.586286|4.814530|5.492032|5.824890|0.097716|3.436413|2.099083|1.901679|3.557679|1.802382|0.074390|0.087465|0.076048|0.107193|0.076890|0.089378|0.074797|0.137125|0.165402|0.146934|0.114143|0.088840|0.095890|0.101746|0.117152|0.060972|0.063269|0.500000| |2.385498|2.820486|2.593334|5.483793|3.445563|3.636022|3.789152|3.726093|3.524754|3.396401|5.354947|2.750640|3.463892|0.087233|2.850933|3.519757|2.182786|3.623277|1.978859|2.814728|2.384658|4.313040|2.778273|3.355070|0.084882|4.092312|5.621872|9.062190|17.754462|8.774340|5.593077|4.932640|5.027813|0.089608|2.812660|1.835228|1.689463|3.187396|1.643691|0.061802|0.067295|0.060961|0.086348|0.065579|0.079121|0.066392|0.095183|0.101885|0.090639|0.083682|0.069324|0.069905|0.070776|0.080884|0.050452|0.052733|0.216265|0.500000| |1.862333|2.094829|1.950218|3.978945|2.469727|2.632195|2.852006|2.877777|2.668800|2.485711|4.008697|2.151963|2.944350|0.075773|2.551208|3.364154|2.105791|3.417940|1.985274|2.926580|2.527429|4.800142|2.813727|3.402890|0.085948|3.676952|4.942484|5.649701|8.794296|17.720914|9.097038|5.700594|5.727936|0.107862|2.895538|1.947616|1.794836|3.424966|1.765914|0.049068|0.053028|0.048276|0.062919|0.050363|0.057960|0.051096|0.070091|0.080375|0.071613|0.065248|0.054973|0.056463|0.062745|0.071919|0.050385|0.053077|0.124076|0.215657|0.500000| |1.706385|1.858221|1.704704|3.547007|2.241990|2.421510|2.754119|2.875460|2.586835|2.306677|3.690512|2.026904|3.213840|0.083466|2.868043|4.035411|2.491063|3.902850|2.417662|3.745360|3.403279|6.915517|3.655748|4.566206|0.112967|4.296554|5.478797|4.811111|5.522966|8.945245|17.754429|8.760704|9.299359|0.191058|3.727923|2.490780|2.250797|4.351316|2.185953|0.044859|0.049456|0.044615|0.054964|0.044658|0.049483|0.044740|0.063792|0.079482|0.071072|0.061269|0.051346|0.054752|0.068911|0.079490|0.060354|0.064057|0.105210|0.123180|0.216489|0.500000| |1.950112|1.962650|1.709532|3.672224|2.394054|2.776664|3.429291|3.438014|2.777502|2.396536|3.676750|1.982540|4.262574|0.103598|5.527236|9.525260|6.127680|8.491298|6.007942|8.077452|6.864147|9.618403|8.819720|5.436242|0.123474|4.600571|3.916352|3.160343|2.792472|2.835646|3.269401|3.996360|6.467494|0.126613|17.582063|4.409637|4.300903|9.474042|4.383311|0.051295|0.059881|0.050825|0.057398|0.045191|0.047031|0.045308|0.074224|0.110912|0.074013|0.056301|0.049534|0.056872|0.126025|0.171737|0.124772|0.184369|0.082127|0.068206|0.069577|0.086434|0.500000| |2.229217|2.296117|1.968695|4.334072|2.899425|3.492597|4.560361|4.439827|3.373194|2.866161|4.268479|2.254758|5.530848|0.122732|6.596705|9.252054|5.025906|7.380521|4.362478|6.030302|5.536498|8.526893|8.721116|6.784838|0.138232|6.534709|5.635435|4.346821|3.683084|3.645889|4.192247|5.428074|8.155426|0.143309|17.587567|3.425665|3.192532|6.564790|3.181929|0.058108|0.068666|0.057201|0.068327|0.051374|0.054566|0.051763|0.092459|0.156553|0.087190|0.064518|0.055639|0.063698|0.136953|0.226069|0.097745|0.121510|0.110437|0.087277|0.086169|0.104686|0.301603|0.500000| |1.854724|1.914609|1.687920|3.602480|2.340554|2.683609|3.285552|3.342204|2.737189|2.360407|3.641945|1.972714|4.150475|0.101350|4.625493|7.572407|4.507243|6.417674|4.522146|7.119696|7.220181|12.231357|8.766542|6.638775|0.140490|5.153701|4.735618|3.648653|3.307955|3.552263|4.390257|5.471160|9.478466|0.192813|17.627278|4.150551|3.865604|8.477178|3.927738|0.048801|0.056002|0.048256|0.056416|0.044413|0.047135|0.044636|0.071400|0.104105|0.073530|0.057087|0.049336|0.055687|0.103901|0.136611|0.100429|0.126374|0.089871|0.078443|0.085770|0.118122|0.302256|0.301157|0.500000| |1.420579|1.442025|1.309228|2.741289|1.728481|1.848598|2.137768|2.317509|2.092873|1.821791|2.961898|1.690993|2.837420|0.080208|3.097113|5.505035|4.193308|6.073642|5.667825|12.616413|7.773774|14.834153|4.781811|4.047237|0.117991|3.089859|2.741672|2.269586|2.106079|2.238938|2.638602|3.034368|5.216514|0.120334|4.079431|17.705249|8.880667|12.543426|4.802639|0.037366|0.042225|0.038214|0.041014|0.035408|0.036433|0.034606|0.048525|0.062106|0.059972|0.049024|0.043064|0.048962|0.079258|0.080128|0.146171|0.139961|0.058618|0.052302|0.056900|0.075005|0.113478|0.092435|0.117017|0.500000| |1.427844|1.432343|1.298622|2.728628|1.717454|1.822038|2.096139|2.288785|2.091526|1.821682|2.978583|1.713465|2.783373|0.080463|3.121955|5.553159|4.700518|7.024550|6.916421|12.453204|6.023273|9.540020|4.248748|3.549166|0.105992|2.855525|2.476457|2.086951|1.911563|1.976747|2.260841|2.606801|4.303937|0.093394|3.542577|17.559108|8.875672|10.269796|4.259955|0.037468|0.042590|0.038710|0.040358|0.035370|0.035888|0.034292|0.047676|0.060283|0.060397|0.049171|0.043696|0.050352|0.083323|0.079242|0.213988|0.160215|0.055128|0.048017|0.050306|0.062836|0.102044|0.083000|0.095291|0.301401|0.500000| |1.296977|1.297991|1.183477|2.427658|1.508915|1.616896|1.831738|1.926988|1.750776|1.562027|2.557686|1.447532|2.257360|0.062776|2.529046|4.250246|3.451691|5.356084|4.722786|7.646142|4.492083|7.765557|3.406996|2.846800|0.079715|2.363120|2.140216|1.844343|1.731272|1.818781|2.071536|2.300433|3.701258|0.082064|3.250614|8.940592|17.509441|16.488327|7.336625|0.034470|0.038554|0.034942|0.036893|0.032053|0.032706|0.031578|0.043167|0.053649|0.049451|0.041324|0.037281|0.041930|0.066826|0.067810|0.130057|0.135960|0.048476|0.043858|0.047067|0.058843|0.097659|0.076398|0.092137|0.220432|0.210985|0.500000| |1.410277|1.396455|1.261561|2.611598|1.632914|1.762211|2.012235|2.112478|1.899047|1.686436|2.740482|1.543641|2.489080|0.068921|2.917335|5.006388|4.408808|6.872408|6.707497|9.093695|4.773412|7.394010|3.780853|2.992022|0.082993|2.521061|2.225291|1.913841|1.765611|1.818141|2.048962|2.320005|3.711368|0.079474|3.588706|8.775791|17.491445|16.574657|7.185338|0.037396|0.042312|0.038001|0.039599|0.034199|0.034623|0.033634|0.047007|0.059278|0.053358|0.043671|0.039576|0.045108|0.078356|0.078206|0.190196|0.213510|0.050907|0.044753|0.046650|0.056968|0.113385|0.084131|0.096208|0.173561|0.217312|0.302221|0.500000| |1.392343|1.391040|1.258508|2.551149|1.585032|1.748463|1.981820|1.991146|1.757419|1.589380|2.561316|1.409819|2.276600|0.060093|2.600954|4.169471|3.194088|4.997570|3.872555|5.650599|3.955816|6.782740|3.470982|2.815994|0.072842|2.424517|2.259800|1.971124|1.870553|1.975368|2.236461|2.439558|3.804952|0.082968|3.995678|4.356631|5.864379|16.864786|17.632906|0.037426|0.041622|0.036898|0.040239|0.033629|0.034712|0.033902|0.047770|0.060243|0.048086|0.039986|0.036271|0.040282|0.066924|0.074698|0.095078|0.126417|0.051529|0.047444|0.051331|0.063569|0.130227|0.094434|0.118848|0.115655|0.099977|0.147816|0.146799|0.500000| |1.269260|1.268489|1.157332|2.337705|1.443809|1.566503|1.759723|1.797205|1.617180|1.464430|2.388235|1.330475|2.054051|0.055502|2.303941|3.711120|2.903991|4.596063|3.636732|5.458031|3.632660|6.397909|3.028133|2.538225|0.068004|2.172258|2.022312|1.772127|1.688295|1.785985|2.018176|2.186799|3.422049|0.075571|3.208230|4.772929|7.205055|16.453320|17.539080|0.034065|0.037713|0.033922|0.036398|0.031129|0.031966|0.031132|0.042517|0.052448|0.044839|0.037815|0.034393|0.038143|0.060281|0.064348|0.094351|0.113531|0.046468|0.043021|0.046701|0.057811|0.099433|0.076656|0.094183|0.128247|0.112144|0.218017|0.172185|0.299936|0.500000| 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