Version2.4 2021-06-07T11:06:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc3c(c2)C[C@H](O3)C)c4ccc(c(c4)OC)OCC(C)C C40096264 RHF 6-31G(d) (6D,7F) CCCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc3c(c2)C[C@H](O3)C)c4ccc(c(c4)OC)OCC(C)C C01[X(C29H34N1O6)] 204 C1 608 CCCCN1[C@H](c2ccc(c(c2)OC)OCC(C)C)C(=C(C1=O)[O-])C(=O)c1ccc2c(c1)C[C@H](O2)C CCCCN1[C@H](c2ccc(c(c2)OC)OCC(C)C)C(=C(C1=O)[O-])C(=O)c1ccc2c(c1)C[C@H](O2)C CCCCN1[C@H](c2ccc(OCC(C)C)c(OC)c2)C(=C([O-])C1=O)C(=O)c3ccc4O[C@H](C)Cc4c3 InChIKey=FKGQUVXBPKLHEG-WXTAPIANSA-M InChI=1S/C29H35NO6/c1-6-7-12-30-26(19-8-11-23(24(15-19)34-5)35-16-17(2)3)25(28(32)29(30)33)27(31)20-9-10-22-21(14-20)13-18(4)36-22/h8-11,14-15,17-18,26,32H,6-7,12-13,16H2,1-5H3/p-1/t18-,26-/m1/s1 InChI=1/C29H35NO6/c1-6-7-12-30-26(19-8-11-23(24(15-19)34-5)35-16-17(2)3)25(28(32)29(30)33)27(31)20-9-10-22-21(14-20)13-18(4)36-22/h8-11,14-15,17-18,26,32H,6-7,12-13,16H2,1-5H3/p-1/t18-,26-/m1/s1/fC29H34NO6/h32h/q-1 CCCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc3c(c2)C[C@H](O3)C)c4ccc(c(c4)OC)OCC(C)C C01[X(C29H34N1O6)] 204 C01 608 CCCCN1[C@H](c2ccc(c(c2)OC)OCC(C)C)C(=C(C1=O)[O-])C(=O)c1ccc2c(c1)C[C@H](O2)C CCCCN1[C@H]([C]2[CH][CH][C]([C]([CH]2)OC)OCC(C)C)[C]([C](=O)C1=O)[C](=O)[C]1[CH][CH][C]2[C]([CH]1)C[C@H](O2)C CCCCN1[C@H]([C]2[CH][CH][C](OCC(C)C)[C]([CH]2)OC)[C](C(=O)[C]3[CH][CH][C]4O[C@H](C)C[C]4[CH]3)C(=O)C1=O InChIKey=PIXHXXBVYPCZHK-WXTAPIANSA-N InChI=1S/C29H34NO6/c1-6-7-12-30-26(19-8-11-23(24(15-19)34-5)35-16-17(2)3)25(28(32)29(30)33)27(31)20-9-10-22-21(14-20)13-18(4)36-22/h8-11,14-15,17-18,26H,6-7,12-13,16H2,1-5H3/t18-,26-/m1/s1 InChI=1/C29H34NO6/c1-6-7-12-30-26(19-8-11-23(24(15-19)34-5)35-16-17(2)3)25(28(32)29(30)33)27(31)20-9-10-22-21(14-20)13-18(4)36-22/h8-11,14-15,17-18,26H,6-7,12-13,16H2,1-5H3/t18-,26-/m1/s1 3966.1181210088 -1621.6243379 1-A 19958.5176 132 476 608 |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|A| -20.50178 -20.50162 -20.50030 -20.39117 -20.36832 -20.35392 -15.45822 -11.21687 -11.20793 -11.20218 -11.20101 -11.20061 -11.19669 -11.19632 -11.17111 -11.16612 -11.15928 -11.15706 -11.15647 -11.15551 -11.15352 -11.15122 -11.14642 -11.13946 -11.13828 -11.13726 -11.13628 -11.13579 -11.13569 -11.13559 -11.13401 -11.13072 -11.12551 -11.11960 -11.11664 -11.04427 -1.34152 -1.33734 -1.31838 -1.25763 -1.21490 -1.19191 -1.13953 -1.05940 -1.05751 -1.02369 -0.99993 -0.98839 -0.95304 -0.94440 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854.6192 865.5236 869.0329 887.9181 893.7646 912.4712 915.4627 919.6822 933.4476 945.1385 970.6980 979.9575 992.6861 1008.7905 1014.2832 1015.9136 1018.8805 1031.9770 1032.5278 1043.2323 1048.2765 1053.2150 1067.7302 1079.8660 1087.5617 1108.0135 1135.5932 1155.9367 1167.8858 1171.1373 1202.5738 1208.7346 1215.4773 1221.8897 1223.0406 1230.5492 1246.6901 1253.8632 1267.0849 1278.9253 1285.1847 1295.2233 1301.5002 1304.7239 1308.2101 1319.0010 1326.9120 1334.2482 1344.7140 1354.9941 1370.9085 1381.5311 1386.6053 1401.1477 1408.0606 1410.3406 1418.8426 1430.6823 1432.7327 1445.2287 1450.9648 1464.0727 1485.3081 1494.4977 1510.4082 1510.5813 1516.6163 1526.0909 1533.5255 1556.2778 1561.8761 1569.3663 1570.4687 1572.8292 1582.3484 1585.7876 1592.7505 1601.5456 1631.0384 1634.6298 1636.2258 1637.4903 1638.2269 1638.9298 1639.8047 1643.9828 1645.0077 1646.8097 1648.7626 1651.2475 1657.1353 1660.2153 1664.6053 1666.1964 1675.4878 1705.6962 1789.8311 1791.7567 1803.9649 1814.4051 1819.6270 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6.2983 6.2811 6.2282 6.2334 6.4457 6.2730 6.4806 6.2668 6.5402 6.6478 6.3256 6.4340 6.7544 6.5093 6.8200 6.8395 6.8400 6.8445 6.8744 6.8919 6.8956 6.9270 6.9325 6.9941 7.0073 7.0538 7.1027 7.2798 7.3384 7.3952 7.3899 7.4123 7.4553 0.1141 1.0001 0.2298 0.5486 0.6942 0.5924 0.3612 1.1463 2.2896 1.7057 1.5322 5.0550 1.7803 1.3162 1.7818 0.6902 0.2919 0.5425 1.4775 4.4067 0.0210 0.8458 1.2816 1.9483 2.5921 0.2279 0.6315 2.3274 0.1527 0.2251 0.0910 0.2680 6.3706 1.3103 1.0993 6.2030 1.5114 1.8581 1.0926 3.9984 1.9401 2.0821 0.2875 3.0864 1.7706 1.9507 2.4813 0.3976 6.0902 0.5634 6.6262 17.5348 9.9822 13.8604 3.4813 21.5748 7.4548 19.9501 8.1369 6.0851 28.8432 2.4236 0.8740 9.4583 5.7013 36.8388 19.8829 44.8148 10.7807 14.0075 13.7235 14.6253 13.0993 37.0271 13.4524 22.5536 16.9661 1.5763 11.0565 30.4288 7.9238 3.4254 2.4442 2.5573 4.9730 22.5073 2.6095 0.9126 4.4936 0.5004 23.0285 1.7040 15.9293 1.7674 4.7935 39.6736 42.0481 22.7478 24.4449 39.9015 9.1790 76.7150 6.7653 5.9228 15.2491 24.5435 151.5892 47.7746 3.0961 8.2226 7.9241 5.6032 56.7557 44.9847 21.1154 14.9688 61.7306 40.0543 334.5275 152.6025 127.3688 3.0432 5.4350 20.7402 9.2042 80.1278 252.1590 2.5970 17.1569 91.2453 17.3731 2.0242 5.1769 238.7466 121.5455 467.8061 4.1987 9.9504 0.7526 61.5162 6.6586 17.7701 55.4378 224.0932 426.1057 1.3666 14.2009 1.1522 8.3319 0.5862 1.5274 1.0111 3.0339 1.2167 1.0711 3.0839 1.5631 1.9021 14.3179 12.1464 51.6493 41.8112 209.8535 118.8887 14.3291 222.9340 22.6949 167.2638 711.8533 634.2975 56.4336 32.8476 20.4185 28.8818 41.5429 13.7501 66.9186 54.7101 58.7943 4.8848 17.0201 49.0467 39.1512 39.9033 35.9082 22.0109 19.0311 91.4238 37.7740 108.4749 21.4327 82.0301 58.1031 41.6482 92.3461 61.6731 24.4503 58.7541 12.9032 13.9772 22.2765 0.2760 15.8455 9.1553 0.8646 0.6426 1.0235 1.0737 1.7620 1.3066 0.6590 0.6629 1.8953 2.8418 0.7363 0.7844 0.6807 0.5413 0.2742 0.1442 0.2263 0.2028 2.0190 0.7094 0.1634 0.9125 2.3723 2.4962 0.6951 1.2663 0.9144 3.8736 0.5709 0.1883 0.3815 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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 18188.1516 20215.3627 31586.7439 0.99729 0.07242 0.01267 -0.07216 0.99720 -0.01950 -0.01404 0.01853 0.99973 1 0.00476 0.00428 0.00274 0.09923 0.08928 0.05714 15.32 22.19 26.95 31.14 53.00 57.87 60.63 75.08 80.37 90.28 102.28 108.00 115.52 124.81 147.84 184.46 195.34 208.13 214.95 224.81 243.45 271.29 305.43 314.33 328.53 334.73 343.68 360.79 374.80 379.36 396.45 401.56 425.96 439.40 447.45 471.00 475.25 500.23 528.48 556.34 583.81 608.05 642.29 653.35 655.61 678.63 692.93 695.55 703.13 749.52 789.67 837.83 846.79 860.64 923.57 933.17 942.10 972.14 987.90 1004.21 1037.66 1117.47 1140.12 1152.15 1164.92 1201.78 1210.87 1229.61 1245.30 1250.34 1277.52 1285.93 1312.84 1317.15 1323.22 1343.02 1359.84 1396.62 1409.94 1428.25 1451.42 1459.33 1461.67 1465.94 1484.78 1485.58 1500.98 1508.24 1515.34 1536.23 1553.69 1564.76 1594.18 1633.87 1663.14 1680.33 1685.01 1730.24 1739.10 1748.80 1758.03 1759.68 1770.49 1793.71 1804.03 1823.05 1840.09 1849.09 1863.54 1872.57 1877.21 1882.22 1897.75 1909.13 1919.69 1934.74 1949.53 1972.43 1987.72 1995.02 2015.94 2025.89 2029.17 2041.40 2058.43 2061.38 2079.36 2087.61 2106.47 2137.03 2150.25 2173.14 2173.39 2182.07 2195.70 2206.40 2239.14 2247.19 2257.97 2259.55 2262.95 2276.65 2281.59 2291.61 2304.27 2346.70 2351.87 2354.16 2355.98 2357.04 2358.05 2359.31 2365.32 2366.80 2369.39 2372.20 2375.78 2384.25 2388.68 2395.00 2397.28 2410.65 2454.12 2575.17 2577.94 2595.50 2610.52 2618.04 2792.86 2816.69 4544.53 4569.07 4572.29 4587.93 4592.12 4595.76 4598.97 4603.67 4604.04 4605.25 4606.26 4613.38 4618.43 4633.59 4634.80 4662.85 4667.37 4671.40 4680.29 4682.41 4683.22 4688.91 4696.02 4701.88 4713.72 4722.19 4750.83 4755.88 4846.12 4866.28 4871.88 4874.05 4887.60 4892.29 0.624993 0.658912 0.659856 0.554135 -1620.999345 -1620.965426 -1620.964482 -1621.070203 3.545900D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc3c(c2)C[C@H](O3)C)c4ccc(c(c4)OC)OCC(C)C C40096264 RHF 6-31G(d) (6D,10F) C1 492.238613 |X|Y|Z| 97.465841 91.349453 45.978073 74.251127 21 6 7 8 19 1 1 |36.858105| |12.461783|36.858105| |7.475730|12.455667|36.858105| |4.872219|7.496362|12.457028|36.858105| |3.781542|4.962556|7.649584|13.191470|53.358707| |3.132240|3.888715|5.290400|7.452549|17.773365|36.858105| |2.956098|3.719310|4.707890|6.900187|12.544533|17.496170|0.500000| |2.637053|3.115086|4.052064|5.110191|11.132388|12.521621|0.241183|36.858105| |2.709187|3.176136|4.178614|5.113801|11.106290|7.909251|0.168018|13.468601|36.858105| |3.368984|4.153848|5.911268|7.797588|19.173751|8.087788|0.174158|8.091426|12.364852|36.858105| |3.505832|4.255505|5.772219|6.776613|11.446213|5.435371|0.129125|5.410757|7.719771|15.840143|73.516695| |2.417170|2.747303|3.459256|3.983802|7.492769|5.282960|0.122864|7.883520|15.760767|7.967855|11.718400|73.516695| |2.237778|2.563496|3.161592|3.759267|6.977591|7.286730|0.175323|13.330482|7.554566|5.081435|6.943334|10.964418|36.858105| |2.024662|2.266861|2.743561|3.133914|5.555924|5.105962|0.125633|8.075618|6.405815|4.303725|6.225501|11.008306|15.685294|73.516695| |2.111135|2.416278|2.881653|3.417901|5.847823|6.247881|0.174540|7.515125|4.932044|3.939376|5.629335|7.421983|12.507646|14.586408|36.858105| |2.088329|2.427845|2.826764|3.456821|5.649459|5.849966|0.191982|6.078322|4.308790|3.703605|5.393553|6.491460|7.465169|9.803348|13.726456|36.858105| |1.916785|2.198280|2.476712|2.936185|4.512581|4.331346|0.140671|4.248277|3.284101|2.958062|4.473598|5.124389|4.961184|7.307525|7.829679|13.669108|36.858105| |1.800558|2.022248|2.266116|2.589437|3.948190|3.710114|0.112817|3.697054|2.917483|2.617899|4.005690|4.642396|4.448528|6.916736|6.900331|8.056572|13.853864|36.858105| |1.811059|2.010535|2.287374|2.564570|3.998680|3.788714|0.108489|3.940009|3.077353|2.687200|4.085805|4.931239|5.039678|8.079893|7.945930|6.929721|7.893657|13.765618|36.858105| |1.947053|2.173981|2.542830|2.876640|4.697388|4.638722|0.126488|5.206826|3.845066|3.192237|4.731794|6.079879|7.588756|11.780352|13.647142|7.947772|6.800811|7.970496|13.845121|36.858105| |1.650042|1.797268|2.006655|2.186550|3.315181|2.988618|0.084463|3.059626|2.518372|2.250855|3.504118|4.126530|3.700313|6.263140|4.930383|4.501471|5.208039|8.157752|12.626599|7.216293|36.858105| |1.547703|1.689915|1.852592|2.030451|3.012605|2.662615|0.077562|2.672368|2.240616|2.042557|3.218251|3.684613|3.120370|5.239025|4.086012|4.156323|5.320843|8.442394|8.078143|5.123206|12.340314|36.858105| |1.445630|1.574504|1.722065|1.887748|2.807208|2.447637|0.071092|2.510297|2.137184|1.933853|3.067997|3.565491|2.952597|5.082505|3.765205|3.831626|4.775973|6.840376|6.594918|4.597508|8.817057|17.529659|0.500000| |1.651589|1.831856|2.008133|2.248767|3.327222|2.988319|0.090164|2.933251|2.417820|2.221370|3.473856|3.913298|3.381912|5.464342|4.631347|5.215173|7.849248|14.015606|8.336466|5.339214|8.022743|13.351441|0.260606|73.516695| |1.481021|1.600136|1.726649|1.861411|2.701209|2.330395|0.067662|2.286244|1.957669|1.825066|2.911605|3.227908|2.570747|4.323755|3.193330|3.261461|4.009800|5.447956|5.210571|3.809983|7.361571|12.573223|0.246971|14.149929|36.858105| |3.242974|3.871298|5.159595|6.046094|10.510274|12.433071|0.250045|7.381854|5.360567|5.451792|7.417340|7.234438|5.893006|7.927689|5.727468|5.087383|4.138061|3.817912|4.050922|4.865666|3.273945|2.836570|0.070638|5.551138|2.525263|36.858105| |3.270010|3.675979|4.919133|4.998000|8.380947|7.493544|0.156073|6.107287|5.001521|4.984131|7.089648|7.112999|5.179356|7.626710|4.711379|3.972482|3.355787|3.260097|3.619903|4.378204|3.074643|2.605343|0.065420|4.886744|2.354181|13.803067|36.858105| |3.108514|3.320082|4.104702|3.926132|5.923279|4.983551|0.116973|4.285929|3.679686|3.687097|5.596380|5.575124|3.977999|6.200886|3.884832|3.360486|3.015219|3.055958|3.425699|3.915966|3.075501|2.591831|0.064413|4.744336|2.408936|7.912217|13.710265|36.858105| |2.940240|3.148800|3.670213|3.587156|5.136024|4.392951|0.111334|3.674593|3.113324|3.147092|4.849640|4.759901|3.514955|5.452890|3.698872|3.346627|3.147301|3.252336|3.567156|3.826562|3.282723|2.806225|0.068253|5.164150|2.672266|6.792904|7.902769|13.785177|36.858105| |2.916577|3.266112|3.762893|3.921304|5.528689|4.981911|0.134589|3.908639|3.193845|3.253525|4.945847|4.793431|3.721847|5.565672|4.150687|3.954379|3.786384|3.829651|4.001162|4.159085|3.547957|3.117888|0.074549|6.004161|2.946250|7.855280|6.871159|7.953243|13.623927|36.858105| |3.058820|3.615395|4.379228|5.004692|7.383671|7.501956|0.207504|5.143086|3.951985|4.051133|5.898475|5.673237|4.643628|6.523039|5.194102|5.057048|4.516607|4.238120|4.305461|4.712739|3.537028|3.132219|0.075922|6.277513|2.840496|13.669293|8.006716|6.931984|7.931818|13.781919|36.858105| |2.623865|2.888849|3.142977|3.260968|4.439273|3.839814|0.109090|3.148127|2.643731|2.694481|4.207374|4.068295|3.075929|4.723725|3.516291|3.508740|3.592462|3.724546|3.733368|3.613620|3.488230|3.207930|0.075658|6.194430|3.177221|5.163407|4.616213|5.285594|8.149159|14.048791|7.865621|73.516695| |2.427944|2.726097|2.907699|3.140722|4.234968|3.682704|0.111029|3.028009|2.534059|2.578245|4.039185|3.909680|2.984798|4.559123|3.530231|3.761673|4.075741|4.137757|3.837802|3.552907|3.541828|3.460301|0.080947|7.068861|3.449804|4.524164|3.813315|4.001242|5.260934|8.035304|6.755985|24.273106|36.858105| |2.654582|2.740298|3.042369|2.915338|4.068601|3.347457|0.087258|2.925224|2.559771|2.583363|4.097840|4.030453|2.864263|4.597997|3.032293|2.792717|2.718078|2.875552|3.137367|3.228026|3.058925|2.655276|0.064686|4.759269|2.625667|4.579994|5.174415|7.849065|14.037044|8.141116|5.276555|13.046015|4.783472|73.516695| |2.544667|2.537742|2.799615|2.609500|3.651299|2.905729|0.074643|2.633518|2.378363|2.393850|3.865449|3.822631|2.582551|4.264127|2.646905|2.410025|2.325623|2.456940|2.707668|2.823639|2.683903|2.328885|0.057884|4.094942|2.308830|3.774110|4.503493|6.703583|7.997309|5.244079|3.984527|8.491488|3.544208|24.255092|36.858105| |2.243113|2.208536|2.354374|2.207769|3.039611|2.392340|0.062936|2.192456|2.002567|2.017835|3.308715|3.264401|2.172277|3.629759|2.253544|2.095765|2.068919|2.202564|2.387850|2.416118|2.440214|2.172492|0.054251|3.777341|2.219398|2.959870|3.329456|4.388968|5.206925|4.063265|3.187740|7.293866|3.201887|14.298170|12.494462|36.858105| |2.066642|1.998430|2.121485|1.972546|2.726197|2.109012|0.055166|1.977807|1.843575|1.850717|3.074461|3.054398|1.963752|3.342951|1.999368|1.850485|1.815269|1.924860|2.093873|2.138027|2.148674|1.918208|0.048708|3.305669|1.951926|2.527223|2.874397|3.629667|3.906699|3.147374|2.621820|5.517423|2.552520|9.111396|7.607948|12.442159|36.858105| |2.358437|2.296599|2.373182|2.204548|2.949189|2.284124|0.061022|2.052496|1.886434|1.939687|3.209351|3.063988|2.002024|3.314905|2.083311|1.985251|1.974528|2.069768|2.181288|2.185716|2.205491|2.021288|0.050565|3.580817|2.084870|2.786911|3.021718|3.809625|4.617600|3.897007|3.071875|7.383238|3.291351|11.759631|7.547482|12.451682|7.531430|36.858105| |17.532667|8.777451|6.776957|4.500377|4.972461|3.136384|0.081394|2.633410|2.655647|3.212634|5.763391|4.202921|2.260196|3.637423|2.147662|2.102614|1.939556|1.843702|1.869809|2.007011|1.714753|1.597841|0.041244|3.012812|1.536377|3.403052|3.533932|3.483380|3.305718|3.193181|3.244319|5.081835|2.576287|5.351876|2.910718|2.542895|2.329691|2.697813|0.500000| |17.536326|8.782266|6.786195|4.507538|4.989391|2.990598|0.077230|2.595517|2.741107|3.424588|6.563895|4.418197|2.198992|3.579485|2.039495|1.997391|1.820839|1.713766|1.736162|1.880917|1.583019|1.478987|0.038589|2.789002|1.409773|3.036856|3.130545|2.945865|2.716222|2.650019|2.790617|4.213702|2.193713|4.370855|2.401726|2.116254|1.984300|2.187879|0.301743|0.500000| |17.525791|8.754594|5.450523|4.043215|4.356511|2.727245|0.073068|2.327143|2.377355|2.887552|5.353336|3.817477|2.009699|3.252754|1.919984|1.919110|1.784900|1.679720|1.676905|1.781519|1.540074|1.458848|0.037940|2.767423|1.406158|2.807432|2.795066|2.699980|2.617710|2.624907|2.719584|4.317231|2.281478|4.296200|2.320105|2.094257|1.938325|2.235579|0.301390|0.301351|0.500000| |8.866572|17.490196|8.839268|6.878284|6.284440|3.854442|0.106199|3.017693|2.966934|3.734224|6.536520|4.541593|2.525330|3.937261|2.446736|2.499925|2.298502|2.110782|2.073639|2.210323|1.856855|1.760260|0.045286|3.419235|1.677175|3.941565|3.616250|3.335471|3.299938|3.541056|3.895697|5.683160|3.053832|5.123197|2.607499|2.287489|2.036242|2.419961|0.210908|0.173069|0.212597|0.500000| |8.867100|17.502619|8.851573|6.898368|6.315377|3.593158|0.097428|2.960516|3.085807|4.075201|7.769253|4.813680|2.440724|3.863707|2.290643|2.328762|2.108499|1.922563|1.896286|2.045677|1.693418|1.605598|0.041852|3.103272|1.516879|3.402823|3.188720|2.856590|2.715302|2.841600|3.176027|4.542434|2.468951|4.247249|2.224392|1.963588|1.794592|2.033431|0.173039|0.210950|0.212645|0.303621|0.500000| |6.839392|8.841991|17.564088|8.928078|9.575174|4.770792|0.115051|3.968546|4.378516|6.420045|12.363994|6.617326|3.090141|4.876642|2.732480|2.635667|2.295408|2.112897|2.155426|2.419049|1.899226|1.746032|0.045453|3.331240|1.622751|4.497669|4.540679|3.781255|3.279092|3.257737|3.720179|4.878310|2.539353|4.918643|2.619269|2.211946|2.034386|2.200723|0.168282|0.203051|0.139920|0.173430|0.211810|0.500000| |6.847796|8.839309|17.540532|8.873814|9.467153|5.441475|0.130299|4.110451|4.057688|5.286963|8.641247|5.959164|3.268376|5.028631|3.010400|2.891703|2.546831|2.371159|2.428208|2.706652|2.139909|1.950951|0.049962|3.732114|1.824253|6.047262|6.148035|5.195671|4.518949|4.473310|5.068904|6.393085|3.191687|6.467741|3.326554|2.714511|2.412715|2.721748|0.203068|0.168821|0.139962|0.211218|0.173508|0.302728|0.500000| |4.526774|6.840322|8.844319|17.551681|12.608337|7.342082|0.215729|4.758082|4.388508|5.798387|8.862539|6.176668|3.670552|5.367608|3.532262|3.700877|3.206540|2.798007|2.714570|2.981647|2.307139|2.164545|0.055375|4.328633|1.992662|6.417985|4.899786|3.980238|3.839999|4.459058|5.909189|6.655188|3.690579|5.513598|2.695659|2.293126|2.013842|2.317833|0.119549|0.111210|0.108274|0.205884|0.170370|0.174404|0.212881|0.500000| |4.559142|6.923135|8.876545|17.547718|12.561949|5.819299|0.159855|4.487010|4.741252|7.266110|12.852509|6.849719|3.392723|5.143925|3.081648|3.181388|2.728237|2.386933|2.336736|2.593919|2.005302|1.887505|0.049240|3.720882|1.733006|4.607374|3.938150|3.215351|2.982107|3.242589|3.996627|4.982838|2.765050|4.450367|2.273074|1.963938|1.776497|1.970081|0.111696|0.120284|0.109117|0.172256|0.209552|0.213535|0.174143|0.302172|0.500000| |2.172649|2.571309|2.999245|3.816189|6.279498|6.336254|0.226664|6.486282|4.720223|4.128598|5.975669|6.993692|6.939086|9.134593|8.958321|17.723053|8.926986|5.703236|4.982069|5.657024|3.591292|3.411939|0.089187|7.449952|2.796467|4.906818|3.781944|3.137719|3.081679|3.618592|4.712413|5.711452|3.456350|4.581599|2.246754|1.960393|1.743105|1.879705|0.059917|0.057799|0.055460|0.073275|0.069504|0.077696|0.083047|0.113139|0.099773|0.500000| |1.862172|2.142168|2.364991|2.811839|4.184278|3.837385|0.127588|3.668565|2.959455|2.746722|4.231409|4.661217|4.044118|6.111787|5.585848|8.814789|17.722491|8.911098|5.623153|4.915192|4.263881|4.686508|0.119976|12.457756|3.753834|3.611149|2.948834|2.678233|2.819914|3.399301|3.994525|5.923484|3.920557|4.405706|2.131283|1.924253|1.693741|1.865598|0.051983|0.048961|0.048609|0.062721|0.057631|0.060674|0.066688|0.086235|0.073917|0.213329|0.500000| |1.915247|2.106916|2.475330|2.728631|4.469662|4.250484|0.110434|4.934561|3.802281|3.112809|4.653833|6.166884|7.127629|12.595970|8.929957|5.659860|4.915649|5.647043|8.893150|17.727964|6.435345|4.432376|0.113176|7.650368|3.462202|4.575179|4.476456|4.081279|3.836729|3.911999|4.248896|5.975430|3.182286|5.822088|2.948013|2.499232|2.241399|2.213550|0.055150|0.051821|0.048525|0.058875|0.054887|0.066347|0.073819|0.077032|0.068262|0.124601|0.106907|0.500000| |1.552319|1.677139|1.872077|2.022511|3.078626|2.724240|0.075772|2.869163|2.411939|2.132270|3.345460|4.029168|3.508100|6.216141|4.416272|3.912892|4.294313|5.997758|8.718422|6.365827|17.567256|8.705531|0.225708|10.448970|6.016646|2.937086|2.835624|2.836312|2.944312|3.070662|3.063246|5.299408|2.970391|4.936944|2.514264|2.301091|2.070570|2.060825|0.044749|0.041681|0.040274|0.047721|0.044065|0.049780|0.055267|0.058457|0.051870|0.089219|0.100238|0.175759|0.500000| |1.706242|1.845081|2.055282|2.205802|3.309323|2.963728|0.082790|2.954995|2.446500|2.223107|3.469059|3.984440|3.457476|5.792729|4.422440|4.008607|4.491488|6.394557|8.833300|6.189491|17.512878|8.705530|0.175559|11.429035|7.174869|3.385904|3.244531|3.376970|3.723072|3.966940|3.747982|7.059652|3.897126|6.313850|3.073156|2.799410|2.421493|2.491660|0.049718|0.045292|0.044201|0.053152|0.047864|0.053779|0.061667|0.064897|0.055680|0.091084|0.104935|0.163141|0.301758|0.500000| |1.571426|1.696863|1.826841|1.959335|2.819994|2.437967|0.070795|2.339283|1.994516|1.880914|2.994833|3.257632|2.587132|4.285755|3.204889|3.269893|3.975425|5.269895|5.062896|3.788686|6.739925|8.866903|0.173821|12.707935|17.562353|2.706834|2.518356|2.621971|2.994933|3.349318|3.132944|6.661889|4.104012|5.297879|2.565090|2.476785|2.134427|2.336368|0.045552|0.041300|0.041428|0.049744|0.044372|0.047329|0.054040|0.058763|0.050274|0.078109|0.103277|0.095715|0.147163|0.210068|0.500000| |1.415982|1.531310|1.636848|1.769283|2.543216|2.168242|0.063610|2.119370|1.833497|1.722556|2.766718|3.033080|2.353113|3.957324|2.884525|3.033626|3.773839|4.830562|4.329166|3.299205|5.417619|8.853113|0.213769|12.830505|17.563047|2.309260|2.137502|2.168730|2.394112|2.655939|2.592665|5.128844|3.210421|4.181660|2.080403|2.015694|1.784933|1.925421|0.040600|0.037412|0.037555|0.044700|0.040565|0.042724|0.047649|0.052731|0.046154|0.073764|0.102678|0.082948|0.129795|0.142914|0.300711|0.500000| |1.403883|1.502831|1.620120|1.727722|2.509378|2.140209|0.061240|2.124300|1.841754|1.712582|2.748085|3.066574|2.390867|4.097337|2.889030|2.869051|3.374964|4.407186|4.528307|3.476550|6.640803|8.859845|0.212576|10.140804|17.536634|2.322689|2.213498|2.288224|2.512405|2.687554|2.563278|5.095421|3.007370|4.462881|2.255309|2.194290|1.955736|2.038510|0.040541|0.037291|0.037053|0.043506|0.039577|0.042588|0.047621|0.050889|0.044757|0.069146|0.087405|0.091184|0.169852|0.186600|0.300208|0.300539|0.500000| |3.221440|3.569700|4.884746|4.865162|8.635485|6.956737|0.140547|6.553986|5.870663|5.681627|8.028036|8.392897|5.344569|8.200708|4.418646|3.664714|3.050856|2.946183|3.285419|4.048753|2.808574|2.388046|0.061043|4.435283|2.149371|8.954175|17.735738|8.923981|5.641076|4.952769|5.673441|6.512564|3.149085|7.433935|3.908429|2.977920|2.674632|2.695093|0.095201|0.088478|0.075982|0.094008|0.087530|0.134382|0.162675|0.123983|0.109259|0.098913|0.074946|0.118605|0.073685|0.080876|0.062894|0.054527|0.056685|0.500000| |2.968967|3.050202|3.693932|3.416581|5.104121|4.080558|0.096737|3.732088|3.362745|3.346454|5.229118|5.273387|3.522111|5.736548|3.358967|2.900557|2.626992|2.688684|3.034859|3.447441|2.805514|2.366897|0.059554|4.247165|2.221114|5.654125|8.955834|17.750293|8.926898|5.646596|4.985348|7.578023|3.335667|12.532297|7.466144|4.687041|4.064973|3.883472|0.093186|0.079765|0.071892|0.083540|0.073501|0.098174|0.127445|0.093780|0.079847|0.075717|0.065382|0.102902|0.073604|0.085525|0.066585|0.055661|0.059543|0.217016|0.500000| |2.887612|3.479618|4.054401|4.902882|6.989482|7.036497|0.233768|4.856599|3.745415|3.856686|5.673660|5.413230|4.437399|6.205685|5.223930|5.697323|5.254538|4.634146|4.357568|4.560827|3.519085|3.253291|0.078788|6.835469|2.936416|8.958812|5.692010|4.985711|5.644981|8.949887|17.755956|12.609729|7.571759|7.581965|3.328242|2.795071|2.330745|2.752294|0.083135|0.072882|0.072634|0.106380|0.087127|0.095479|0.122830|0.170286|0.112733|0.150648|0.132821|0.109392|0.083584|0.100960|0.089705|0.075668|0.072223|0.124834|0.108127|0.500000| |2.255453|2.549167|2.771633|3.075896|4.294374|3.882878|0.119508|3.259054|2.660860|2.637220|4.083976|4.101081|3.315093|5.012906|4.140735|4.536387|5.195311|5.387578|4.765987|4.215878|4.263558|4.214671|0.095808|9.080356|4.065243|4.645734|3.817371|3.868429|4.842896|7.149773|6.807791|16.442909|17.561674|7.613589|3.269472|2.931284|2.388548|2.909992|0.065699|0.057396|0.058659|0.077844|0.065023|0.068153|0.083420|0.099232|0.075788|0.111375|0.136097|0.100948|0.095724|0.128411|0.135017|0.103778|0.095149|0.088292|0.089659|0.225428|0.500000| |2.219430|2.439576|2.543983|2.694542|3.606634|3.046102|0.090766|2.590463|2.216853|2.250683|3.584676|3.480006|2.581124|4.035961|3.015675|3.198853|3.535559|3.684453|3.416660|3.097362|3.315107|3.342226|0.078435|6.660224|3.510950|3.620086|3.195114|3.417865|4.411826|5.883976|4.915480|17.021752|17.618493|7.745563|3.334375|3.164755|2.524221|3.330773|0.065463|0.055884|0.058755|0.075673|0.061898|0.062539|0.076885|0.086209|0.067180|0.082096|0.096482|0.078281|0.078021|0.102212|0.118733|0.092141|0.085338|0.075292|0.082067|0.147386|0.299552|0.500000| |2.635682|3.030072|3.173224|3.484544|4.526977|3.846856|0.119508|3.061783|2.589884|2.704929|4.255707|3.966171|2.924198|4.431155|3.377998|3.701552|3.917760|3.746259|3.410671|3.250709|3.074376|3.037985|0.072969|6.299933|2.982573|4.554292|3.719243|3.755983|4.691107|6.955333|6.716258|16.432064|17.538257|7.399266|3.202199|2.887928|2.351933|3.030042|0.076868|0.065237|0.069094|0.096885|0.076271|0.075474|0.095291|0.118184|0.085327|0.098269|0.108060|0.080817|0.073095|0.091028|0.095070|0.078879|0.072842|0.086188|0.087206|0.230114|0.299337|0.300253|0.500000| |2.358398|2.367857|2.656184|2.509472|3.606050|2.901767|0.073669|2.713895|2.448707|2.406932|3.869155|3.971800|2.714916|4.554976|2.758857|2.452239|2.348556|2.509869|2.840066|3.005656|2.837348|2.402031|0.059967|4.153482|2.353480|3.728548|4.589629|6.767728|7.044627|4.742378|3.787890|7.468220|3.238349|16.557675|17.518226|8.842874|7.062082|5.496363|0.073714|0.062832|0.059562|0.066655|0.058323|0.070240|0.086619|0.071048|0.061021|0.062960|0.059129|0.089676|0.074997|0.090572|0.071795|0.058358|0.064542|0.113722|0.229457|0.087982|0.085934|0.084214|0.081046|0.500000| |2.855879|2.780238|3.066042|2.757599|3.804335|2.934609|0.074494|2.637929|2.431243|2.498081|4.074499|3.905954|2.522281|4.162169|2.521216|2.305190|2.193359|2.270040|2.472584|2.619205|2.404261|2.110650|0.053014|3.757186|2.074660|3.777430|4.632591|6.818418|7.151921|4.822232|3.847692|7.576798|3.251286|16.538200|17.499399|8.830720|6.863711|6.877552|0.092956|0.074999|0.071560|0.078463|0.066794|0.080044|0.103195|0.078074|0.066421|0.060646|0.056205|0.075773|0.062915|0.074678|0.063290|0.052535|0.056106|0.114127|0.226092|0.089206|0.082895|0.084274|0.084447|0.301036|0.500000| |2.049400|2.049694|2.189013|2.098136|2.914646|2.332785|0.061996|2.156408|1.948796|1.938065|3.162209|3.183328|2.175767|3.645563|2.300333|2.141717|2.146379|2.327927|2.537380|2.515817|2.660713|2.363349|0.058566|4.046555|2.455051|2.868368|3.153309|4.055116|4.922706|4.020986|3.142413|7.494561|3.328205|13.229780|9.009298|17.521591|8.896924|8.914630|0.063514|0.053764|0.053396|0.059221|0.051121|0.057092|0.069216|0.060920|0.052106|0.055055|0.055320|0.072196|0.069521|0.086556|0.076976|0.061346|0.067961|0.078089|0.116550|0.077507|0.085669|0.093068|0.081310|0.214994|0.174818|0.500000| |2.203181|2.090647|2.208603|2.014995|2.762759|2.100212|0.054604|1.963800|1.854105|1.882487|3.153000|3.076535|1.922743|3.272507|1.928975|1.788140|1.737553|1.818375|1.966124|2.030800|1.985657|1.780941|0.045478|3.100640|1.795260|2.500739|2.874236|3.598808|3.738907|3.009291|2.552062|5.177840|2.411152|8.313862|6.857209|8.760478|17.519075|6.796644|0.069740|0.059037|0.057304|0.058711|0.051922|0.059193|0.070029|0.056669|0.050428|0.047223|0.045180|0.059060|0.053208|0.061289|0.054161|0.045921|0.049689|0.075258|0.114203|0.062930|0.062466|0.065650|0.062828|0.172891|0.202994|0.173234|0.500000| |1.896729|1.831881|1.918577|1.795165|2.466222|1.902805|0.050297|1.789886|1.673675|1.680779|2.807937|2.786981|1.783945|3.047060|1.827274|1.708749|1.692534|1.797697|1.937515|1.953696|2.009317|1.820379|0.046414|3.126081|1.876843|2.241074|2.489913|3.041054|3.299908|2.779117|2.343886|5.003005|2.372333|7.485296|5.512848|8.781135|17.545011|6.886726|0.058891|0.050567|0.049993|0.052054|0.046068|0.051127|0.059793|0.051072|0.045327|0.044802|0.044188|0.056520|0.053937|0.062675|0.056944|0.047986|0.052534|0.064661|0.091992|0.058909|0.061681|0.066316|0.060857|0.143075|0.140238|0.212316|0.301840|0.500000| |1.959548|1.909939|2.054376|1.927085|2.705753|2.107392|0.054788|2.011047|1.874856|1.855413|3.073496|3.127094|2.020764|3.478490|2.048259|1.871486|1.828895|1.953656|2.157333|2.216777|2.230252|1.963210|0.050043|3.343526|1.984138|2.513079|2.893239|3.633064|3.776749|3.030373|2.564777|5.212932|2.435197|8.446970|6.928191|8.741137|17.535017|5.470765|0.060741|0.052761|0.050812|0.053633|0.047927|0.055221|0.064610|0.054273|0.048290|0.048718|0.047083|0.065556|0.060430|0.069910|0.059776|0.050071|0.055707|0.075767|0.115654|0.063206|0.064496|0.066389|0.062086|0.212416|0.169110|0.212794|0.301295|0.301695|0.500000| |2.116285|2.055772|2.100696|1.967301|2.630312|2.031134|0.054711|1.846205|1.706306|1.747562|2.910671|2.794739|1.813982|3.027170|1.893280|1.816404|1.823417|1.918384|2.009858|1.992565|2.059475|1.912169|0.048106|3.364325|1.999613|2.420101|2.585799|3.146769|3.705383|3.267400|2.656216|6.305044|2.945500|8.793146|5.489445|8.785608|6.864453|17.528030|0.066327|0.054840|0.056442|0.060109|0.051209|0.054496|0.065713|0.057362|0.049447|0.047838|0.048186|0.055988|0.053790|0.064382|0.062065|0.051643|0.054738|0.065042|0.089153|0.067522|0.073116|0.084812|0.075566|0.123131|0.140188|0.213390|0.168020|0.206020|0.140445|0.500000| |2.581339|2.452340|2.505442|2.271298|2.999985|2.275905|0.060399|2.036270|1.896402|1.976882|3.299847|3.082290|1.956884|3.240532|2.003813|1.910885|1.878765|1.941358|2.037941|2.069966|2.029534|1.863774|0.046990|3.329566|1.899474|2.756236|3.020451|3.771026|4.363174|3.666093|2.973711|6.688113|3.029571|10.243508|6.796638|8.780573|6.835884|17.511301|0.083602|0.066381|0.068004|0.071409|0.059818|0.064688|0.080294|0.065791|0.056374|0.050791|0.049467|0.058289|0.052928|0.062733|0.058455|0.049053|0.051459|0.075715|0.108553|0.073868|0.074533|0.083729|0.079731|0.139808|0.202967|0.173557|0.201935|0.169919|0.139462|0.301361|0.500000| 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