Version2.4 2021-05-26T01:55:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]([C@@H](c1ccccc1)O)NCc2cc(c(c(c2)Br)OCc3ccc4c(c3)OCO4)OC C20876767 RHF 6-31G(d) (6D,7F) C[C@H]([C@@H](c1ccccc1)O)NCc2cc(c(c(c2)Br)OCc3ccc4c(c3)OCO4)OC C01[X(C25H26Br1N1O5)] 168 C1 547 COc1cc(CN[C@@H]([C@@H](c2ccccc2)O)C)cc(c1OCc1ccc2c(c1)OCO2)Br COc1cc(CN[C@@H]([C@@H](c2ccccc2)O)C)cc(c1OCc1ccc2c(c1)OCO2)Br COc1cc(CN[C@H](C)[C@H](O)c2ccccc2)cc(Br)c1OCc3ccc4OCOc4c3 InChIKey=FABRQWWLJPFHIZ-GYCJOSAFSA-N InChI=1S/C25H26BrNO5/c1-16(24(28)19-6-4-3-5-7-19)27-13-18-10-20(26)25(23(12-18)29-2)30-14-17-8-9-21-22(11-17)32-15-31-21/h3-12,16,24,27-28H,13-15H2,1-2H3/t16-,24+/m1/s1 InChI=1/C25H26BrNO5/c1-16(24(28)19-6-4-3-5-7-19)27-13-18-10-20(26)25(23(12-18)29-2)30-14-17-8-9-21-22(11-17)32-15-31-21/h3-12,16,24,27-28H,13-15H2,1-2H3/t16-,24+/m1/s1 C[C@H]([C@@H](c1ccccc1)O)NCc2cc(c(c(c2)Br)OCc3ccc4c(c3)OCO4)OC C01[X(C25H26Br1N1O5)] 168 C01 547 COc1cc(CN[C@@H]([C@@H](c2ccccc2)O)C)cc(c1OCc1ccc2c(c1)OCO2)Br CO[C]1[CH][C]([CH][C]([C]1OC[C]1[CH][CH][C]2[C]([CH]1)OCO2)Br)CN[C@@H]([C@@H]([C]1[CH][CH][CH][CH][CH]1)O)C CO[C]1[CH][C]([CH][C](Br)[C]1OC[C]2[CH][CH][C]3OCO[C]3[CH]2)CN[C@H](C)[C@H](O)[C]4[CH][CH][CH][CH][CH]4 InChIKey=FABRQWWLJPFHIZ-GYCJOSAFSA-N InChI=1S/C25H26BrNO5/c1-16(24(28)19-6-4-3-5-7-19)27-13-18-10-20(26)25(23(12-18)29-2)30-14-17-8-9-21-22(11-17)32-15-31-21/h3-12,16,24,27-28H,13-15H2,1-2H3/t16-,24+/m1/s1 InChI=1/C25H26BrNO5/c1-16(24(28)19-6-4-3-5-7-19)27-13-18-10-20(26)25(23(12-18)29-2)30-14-17-8-9-21-22(11-17)32-15-31-21/h3-12,16,24,27-28H,13-15H2,1-2H3/t16-,24+/m1/s1 3606.5963430433 -3960.4376032 1-A 25600.3441 129 418 547 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.06639 -64.47710 -58.61612 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87.1449 99.4351 125.7909 143.7532 167.4977 192.2613 211.8837 223.5296 227.5826 237.4673 242.2587 263.7435 267.8840 290.8018 300.4124 307.0877 311.9681 339.0036 360.5005 370.9255 386.8150 427.0010 447.3439 456.8244 461.9771 472.1681 485.1667 511.8633 536.9393 554.8199 599.1300 605.1620 626.4349 640.5945 662.4126 670.1516 679.7924 689.4634 694.9202 716.0597 763.8033 783.2627 793.8805 802.2162 822.9405 837.7170 847.5535 869.2839 887.9634 898.5228 909.6581 917.7219 937.7667 951.5461 961.4881 989.8450 1008.0389 1018.0019 1026.7426 1029.7488 1042.9533 1053.8173 1063.1145 1087.7595 1103.8259 1105.1031 1111.7528 1114.2343 1125.2420 1131.0723 1137.3684 1147.0668 1169.2585 1184.8042 1186.0481 1188.7243 1205.5023 1213.6057 1220.4032 1225.0035 1240.0172 1259.2983 1263.0119 1291.2946 1294.0354 1296.0725 1302.5366 1312.5273 1313.8239 1325.4485 1337.0457 1346.4440 1347.2287 1352.4115 1366.2533 1382.4251 1391.7118 1395.9660 1426.8061 1440.9786 1457.9014 1473.3832 1480.3659 1494.6982 1523.3263 1544.6921 1566.7859 1567.7102 1573.0553 1583.0193 1587.4632 1610.2137 1616.0392 1638.4854 1640.2326 1645.8620 1650.9589 1658.3839 1664.8617 1669.4254 1669.9066 1671.2736 1676.9295 1677.5170 1714.3889 1771.6975 1783.4282 1806.3664 1811.2517 1819.0194 1836.9904 3164.1559 3201.1080 3208.7432 3211.4830 3220.1995 3232.6264 3245.7255 3269.5332 3276.0860 3284.3188 3286.2179 3289.4181 3328.5956 3333.5348 3343.2799 3355.7903 3368.3558 3368.7538 3384.1264 3396.0689 3401.6439 3405.7272 3414.2843 3419.3613 3769.9725 4026.9574 5.7255 6.1035 7.4047 5.4515 6.5004 4.6971 4.5680 3.6434 4.7597 3.4759 3.6314 4.3405 5.1799 3.7833 6.3654 5.3374 4.2452 4.1824 2.8690 1.9880 2.2524 3.9436 3.7592 1.8683 5.4414 3.7673 1.8340 3.2406 5.0475 3.8773 4.8613 5.5354 4.5688 4.3568 2.9829 4.6682 3.1864 3.3719 4.2122 5.7692 3.1340 3.0898 1.5660 4.0821 5.0090 4.8464 4.6466 6.2547 4.4313 4.8072 4.1120 3.2796 2.0384 5.5247 6.8443 1.7892 5.4605 3.9647 1.3440 7.1256 6.4919 2.7882 1.9899 2.5540 2.5853 1.2522 1.6246 1.3932 2.2545 1.6612 1.8767 1.4458 1.3608 4.0036 5.9033 1.3740 2.1787 1.9307 1.7463 1.3318 2.2388 5.6135 7.3549 2.5929 1.9061 4.2412 3.8188 2.9199 2.5331 2.4959 2.2889 4.2369 2.5557 1.5273 2.0101 1.2716 2.1449 1.1816 2.7321 1.6721 1.6816 1.4634 2.1839 1.2305 2.1426 1.3531 1.2060 2.5591 1.5110 1.3138 1.2814 2.3056 1.3683 3.3585 1.4313 1.5262 1.3822 1.4438 1.3658 1.3131 2.3792 1.4287 3.2711 2.0520 1.3246 1.0638 1.0567 1.0505 1.1389 1.2926 1.3316 1.6202 1.2668 2.4134 2.8190 1.1294 7.3044 5.2306 6.0358 5.2530 7.0373 7.0844 1.0743 1.0747 1.0485 1.0343 1.0646 1.0862 1.0637 1.1012 1.1075 1.0907 1.1013 1.1031 1.1089 1.1022 1.0880 1.0886 1.0937 1.0907 1.0978 1.0929 1.0954 1.0931 1.0912 1.0937 1.0759 1.0652 0.0002 0.0005 0.0014 0.0018 0.0033 0.0041 0.0067 0.0080 0.0109 0.0114 0.0140 0.0194 0.0302 0.0353 0.0775 0.0882 0.0925 0.1106 0.0845 0.0607 0.0748 0.1364 0.1541 0.0790 0.2711 0.2003 0.1019 0.1858 0.3418 0.2969 0.3941 0.4880 0.4908 0.5137 0.3668 0.5870 0.4186 0.4676 0.6502 0.9800 0.5684 0.6535 0.3379 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144.5062 46.7653 43.5743 16.0494 23.1041 32.2367 64.4698 36.5673 12.3958 1.0063 35.6511 13.7227 34.9995 2.8391 9.5963 8.5405 5.3374 1.0557 3.3272 130.6844 2.6044 1.5488 1.1524 2.5666 0.4813 5.2168 5.2011 1.4393 0.9382 0.6854 0.1730 0.8628 1.3587 3.8236 0.2461 1.6497 0.8092 2.1770 1.4377 1.1557 0.4260 1.0169 2.5253 0.4492 5.0156 1.8949 0.8218 1.0932 2.1096 2.8550 1.4596 6.5966 1.5350 3.1158 0.1709 1.5058 0.6956 1.8987 0.6510 1.1106 2.1790 2.8396 2.5637 1.3876 3.1315 4.1204 2.1849 4.0179 1.8567 1.9443 0.7259 0.7834 1.0394 3.3309 6.7623 10.9664 1.4338 2.8156 8.3163 1.2915 32.2611 6.0665 8.1350 5.4256 3.8005 3.0390 2.5182 1.2398 5.0371 2.2830 5.8526 2.9629 1.9920 3.1496 23.9784 0.5758 11.4311 2.6472 5.2542 0.3842 8.8329 4.3299 25.0621 1.7996 1.2065 1.1388 14.2474 2.2391 7.1663 3.8506 4.0467 36.2144 6.8105 0.8581 8.4414 3.5707 1.3544 4.3298 0.6354 3.7576 5.4019 3.7782 2.5606 7.0552 2.1549 2.5142 18.0379 9.5722 14.7356 1.6644 9.5368 13.6331 2.6721 11.3803 4.9051 9.6385 7.8374 17.1361 2.7638 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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 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 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 7216.9689 42078.0414 45513.8103 0.99996 -0.00888 -0.00011 0.00887 0.99922 -0.03859 0.00045 0.03858 0.99926 1 0.01200 0.00206 0.00190 0.25007 0.04289 0.03965 9.80 17.73 25.96 33.68 42.40 55.66 71.85 87.73 89.52 107.42 116.57 125.38 143.06 180.99 206.83 240.99 276.62 304.85 321.61 327.44 341.66 348.56 379.47 385.43 418.40 432.23 441.83 448.85 487.75 518.68 533.68 556.54 614.36 643.63 657.27 664.68 679.34 698.05 736.46 772.54 798.26 862.01 870.69 901.30 921.67 953.06 964.20 978.07 991.98 999.84 1030.25 1098.94 1126.94 1142.22 1154.21 1184.03 1205.29 1219.44 1250.71 1277.58 1292.77 1308.80 1320.40 1349.24 1369.06 1383.37 1424.17 1450.34 1464.68 1477.25 1481.58 1500.58 1516.21 1529.58 1565.04 1588.16 1590.00 1599.56 1603.13 1618.97 1627.36 1636.42 1650.37 1682.30 1704.67 1706.46 1710.31 1734.45 1746.11 1755.89 1762.51 1784.11 1811.85 1817.19 1857.88 1861.83 1864.76 1874.06 1888.43 1890.30 1907.02 1923.71 1937.23 1938.36 1945.82 1965.73 1989.00 2002.36 2008.48 2052.86 2073.25 2097.59 2119.87 2129.92 2150.54 2191.73 2222.47 2254.26 2255.59 2263.28 2277.61 2284.01 2316.74 2325.12 2357.42 2359.93 2368.03 2375.36 2386.04 2395.36 2401.93 2402.62 2404.59 2412.73 2413.57 2466.62 2549.08 2565.96 2598.96 2605.99 2617.16 2643.02 4552.51 4605.68 4616.67 4620.61 4633.15 4651.03 4669.88 4704.13 4713.56 4725.40 4728.13 4732.74 4789.11 4796.21 4810.23 4828.23 4846.31 4846.89 4869.00 4886.19 4894.21 4900.08 4912.39 4919.70 5424.15 5793.89 0.506220 0.534338 0.535283 0.440404 -3959.931383 -3959.903265 -3959.902321 -3959.997200 3.182257D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE C[C@H]([C@@H](c1ccccc1)O)NCc2cc(c(c(c2)Br)OCc3ccc4c(c3)OCO4)OC C20876767 RHF 6-31G(d) (6D,10F) C1 499.099434 |X|Y|Z| 54.176661 34.702984 146.496831 65.063251 27 6 7 8 23 1 3 |36.858105| |12.463995|36.858105| |8.925016|17.522700|0.500000| |7.543720|12.305969|0.244767|36.858105| |7.254979|8.866888|0.207446|17.562779|0.500000| |4.900271|7.407753|0.195380|12.485735|0.249525|36.858105| |4.274129|6.013374|0.189576|7.532372|0.191814|13.672795|36.858105| |3.279150|4.276866|0.131714|5.000097|0.129882|7.882343|13.774190|36.858105| |2.899748|3.707277|0.107573|4.406582|0.111277|6.809747|7.935649|13.732080|36.858105| |3.070831|3.970136|0.108538|4.985118|0.119960|7.896423|6.905630|7.967901|13.775709|36.858105| |3.843611|5.242579|0.134819|7.488415|0.163716|13.730616|7.977394|6.887977|7.920291|13.720875|36.858105| |6.398132|7.946415|0.159295|13.641704|0.265412|7.850347|5.131327|3.936100|3.786552|4.564609|6.836493|73.516695| |7.767189|12.998957|0.251305|7.762124|0.157105|6.096317|4.881463|3.836837|3.550730|3.937950|5.095644|12.336731|53.358707| |5.207357|7.686093|0.210006|5.612079|0.122060|5.491912|4.875441|4.084987|3.801179|4.064933|4.839782|8.660725|17.787085|36.858105| |3.968779|5.015873|0.132099|4.144041|0.094227|4.119381|3.662703|3.298541|3.261762|3.564080|4.035046|7.113042|10.594390|12.590222|36.858105| |3.486602|4.308074|0.109354|3.944411|0.089561|4.015223|3.429966|3.164310|3.297154|3.798238|4.282196|7.260612|8.496361|7.569118|13.630070|36.858105| |2.853112|3.315792|0.085622|3.093974|0.073142|3.138512|2.766185|2.625518|2.768387|3.135415|3.381365|5.785742|5.987827|5.025134|7.895372|13.826116|36.858105| |2.619585|2.949523|0.078010|2.673533|0.064669|2.679547|2.443857|2.332010|2.407915|2.627320|2.789135|4.882780|5.172903|4.420094|6.811170|7.897335|13.538593|36.858105| |2.812330|3.159006|0.085336|2.742155|0.066535|2.719527|2.531303|2.390979|2.401906|2.555955|2.728603|4.854613|5.578530|5.026296|7.963597|6.928362|7.974689|13.859930|36.858105| |3.416757|3.984503|0.108936|3.285023|0.078239|3.234250|3.012812|2.778561|2.724257|2.878858|3.140869|5.632979|7.437382|7.576593|13.847325|7.954279|6.856447|7.876896|13.679263|36.858105| |2.353415|2.532778|0.069845|2.213265|0.055355|2.184893|2.090859|1.998502|1.986981|2.063677|2.165313|3.887367|4.165335|3.563300|4.611756|4.101768|4.595207|6.719494|10.053538|6.707112|2539.412838| |2.236316|2.453093|0.065141|2.268892|0.055956|2.273854|2.094563|2.023110|2.101301|2.278552|2.381093|4.178230|4.110134|3.366525|4.594953|5.233171|7.981647|14.113758|8.007821|5.208899|212.127136|73.516695| |1.985589|2.190982|0.059053|2.062977|0.051316|2.115494|1.980037|1.954329|2.053930|2.203047|2.238932|3.757047|3.565296|2.955549|3.835769|4.320300|6.018797|8.106390|5.841632|4.234355|176.389077|23.874976|36.858105| |1.750373|1.891349|0.051002|1.791782|0.045200|1.821145|1.714254|1.693708|1.772611|1.889018|1.916848|3.277888|3.005207|2.420748|2.990657|3.280816|4.235931|5.249057|4.264937|3.283353|146.938373|14.239442|12.648763|36.858105| |1.601893|1.727793|0.046551|1.665048|0.042255|1.703235|1.604260|1.598102|1.688684|1.803185|1.811250|3.061552|2.702753|2.147935|2.577889|2.865680|3.587659|4.047205|3.344561|2.729851|112.163887|9.682461|7.600896|13.813829|36.858105| |1.449782|1.544475|0.041686|1.491168|0.038196|1.516600|1.435771|1.429787|1.502615|1.594300|1.602007|2.741486|2.381208|1.868100|2.188835|2.385542|2.873067|3.194906|2.766212|2.318167|96.343843|7.239409|4.999915|7.834412|13.574965|36.858105| |1.424557|1.502993|0.040648|1.436986|0.036940|1.448434|1.376090|1.362389|1.416780|1.494414|1.512078|2.632990|2.311995|1.808595|2.111204|2.251160|2.675464|3.053099|2.729317|2.278090|99.979452|6.896717|4.483841|6.945413|8.091883|13.982719|36.858105| |1.526362|1.607263|0.043517|1.516245|0.038863|1.518870|1.443559|1.419985|1.464977|1.541942|1.571808|2.767229|2.493554|1.963008|2.321388|2.437086|2.915617|3.484083|3.167728|2.572524|122.459572|8.100681|5.090496|8.066661|6.995972|7.937242|13.759744|36.858105| |1.699140|1.807469|0.048893|1.691581|0.042970|1.697515|1.607287|1.576849|1.627501|1.719016|1.758099|3.081472|2.852116|2.279285|2.775933|2.925084|3.619126|4.597251|4.075110|3.141021|158.761751|11.688445|7.583269|13.537477|7.881854|6.731853|7.920431|13.992649|36.858105| |1.444068|1.503052|0.040798|1.412567|0.036454|1.405339|1.341868|1.315928|1.347079|1.409606|1.441295|2.570978|2.308200|1.801790|2.093049|2.156077|2.506023|2.955223|2.795802|2.327721|111.717474|6.488614|3.841779|5.187796|4.687304|5.402220|8.534333|14.020597|7.766408|73.516695| |1.313147|1.364372|0.037065|1.294756|0.033587|1.292511|1.237125|1.219106|1.251997|1.308047|1.330071|2.359384|2.072459|1.607410|1.838292|1.904161|2.184563|2.491224|2.347105|2.005455|90.414192|5.321374|3.203781|4.215276|4.226231|5.362494|8.598366|8.593802|5.364646|24.080749|36.858105| |1.309061|1.368975|0.037086|1.311003|0.033938|1.316531|1.255689|1.242757|1.286986|1.351294|1.367595|2.399933|2.082172|1.614487|1.851391|1.951868|2.262732|2.537959|2.327715|1.989524|86.140755|5.486757|3.410395|4.666796|5.196781|7.757021|14.033938|8.528241|5.397654|14.924010|13.529507|73.516695| |2.509006|2.859286|0.073578|2.788416|0.066977|2.853664|2.506591|2.417491|2.610049|3.004048|3.178052|5.352904|4.886911|3.865122|5.186835|7.898177|14.170733|8.198819|5.321573|4.623619|125.807928|12.759343|6.022960|4.442259|3.982778|3.135342|2.821914|2.973145|3.613312|4.471310|2.229680|4.208975|73.516695| |2.545543|2.923936|0.074133|2.990451|0.071533|3.097325|2.647518|2.556049|2.828090|3.393349|3.613318|5.933163|4.876549|3.683930|4.511254|6.740588|8.025844|5.253856|4.002482|3.798270|100.411427|8.362534|4.255331|3.440390|3.270032|2.692710|2.419883|2.486922|2.890010|3.827842|1.954691|3.703059|24.179304|36.858105| |17.538837|8.798151|0.213900|5.478369|0.145042|4.046774|3.705477|2.957050|2.626040|2.736180|3.298081|8.576868|9.549206|5.147344|4.019033|3.401161|2.828881|2.674158|2.949203|3.621292|85.532956|4.057297|2.013173|1.779192|1.614440|1.464133|1.449873|1.566190|1.746444|2.648557|1.347797|2.371559|4.361859|2.428252|0.500000| |17.564897|8.794519|0.214016|6.883313|0.218328|4.648218|4.252980|3.253912|2.824045|2.929574|3.598279|9.992365|7.629559|4.224517|3.303358|2.960198|2.477744|2.291181|2.443719|2.906058|71.299182|3.536485|1.793218|1.596247|1.472865|1.342021|1.318961|1.405672|1.551791|2.374386|1.222508|2.166884|3.946187|2.268934|0.301651|0.500000| |17.572369|8.796777|0.173857|6.872218|0.181464|4.478332|3.750695|2.966343|2.713524|2.950882|3.722207|12.629060|9.554657|4.633417|3.791488|3.483109|2.891407|2.626692|2.757797|3.258750|78.259353|4.019761|1.990620|1.764526|1.620432|1.469021|1.442316|1.541596|1.711470|2.591966|1.327329|2.357799|4.590642|2.651556|0.300194|0.301770|0.500000| |4.636288|6.272279|0.219885|7.002001|0.197684|8.886343|17.688155|8.959075|5.652367|4.966843|5.656190|8.311841|6.413169|4.625779|3.431682|3.113917|2.547153|2.303199|2.428934|2.908557|69.631169|3.526617|1.868032|1.630255|1.520212|1.369009|1.321913|1.392332|1.545296|2.317064|1.200927|2.154310|4.076600|2.380390|0.112447|0.133809|0.108230|0.500000| |2.961264|3.699529|0.116801|4.086833|0.110227|5.624176|8.932618|17.710539|8.903855|5.656136|4.959320|5.842797|4.518308|3.578215|2.944571|2.783141|2.362588|2.145994|2.222627|2.564090|64.702284|3.344406|1.831920|1.600620|1.512118|1.360809|1.301506|1.356448|1.499438|2.245209|1.172909|2.119444|3.871470|2.267697|0.075798|0.082904|0.073987|0.216761|0.500000| |2.499197|3.083284|0.089649|3.528834|0.091093|4.918952|5.642779|8.896821|17.715717|8.907837|5.634192|5.572176|4.086898|3.252730|2.899993|2.949652|2.556243|2.255060|2.239400|2.490566|64.131752|3.551360|1.985490|1.724979|1.656690|1.478614|1.389651|1.428862|1.579881|2.335069|1.226795|2.248022|4.344621|2.631091|0.063939|0.067918|0.065415|0.124294|0.214362|0.500000| |2.698686|3.357244|0.090579|4.072006|0.099749|5.632804|4.968160|5.655907|8.924701|17.706660|8.920450|7.077773|4.678373|3.553326|3.298888|3.658884|3.131688|2.602117|2.472646|2.708002|68.199984|4.073206|2.243601|1.929510|1.864204|1.645105|1.527983|1.563008|1.737513|2.527189|1.325095|2.451716|5.526869|3.615537|0.067658|0.071340|0.073430|0.107747|0.124195|0.214724|0.500000| |3.791473|4.939775|0.120214|6.957028|0.151784|8.943279|5.666689|4.963383|5.645685|8.918635|17.756865|14.031468|6.893132|4.562020|4.021747|4.513192|3.593649|2.890792|2.760525|3.116827|73.918143|4.406416|2.305550|1.978208|1.875871|1.656929|1.558968|1.616200|1.806950|2.627528|1.364197|2.502822|6.159851|4.119608|0.090071|0.096943|0.106723|0.124289|0.107695|0.124105|0.215617|0.500000| |6.246298|8.013563|0.157163|10.038676|0.192632|6.892342|4.684556|3.715338|3.646436|4.437382|6.469058|35.564652|11.865284|5.691981|4.780908|4.996869|3.840997|3.159866|3.116376|3.645234|82.447067|4.716956|2.345152|2.022395|1.873545|1.664051|1.596456|1.685898|1.893904|2.769689|1.420784|2.570605|6.206621|3.866642|0.137430|0.141979|0.196179|0.118113|0.086706|0.084725|0.109754|0.215476|0.500000| |7.942644|9.336615|0.196077|5.947335|0.132385|4.670645|3.927563|3.204474|2.993395|3.279728|4.069579|10.303905|25.912906|9.448759|7.302613|5.788607|4.339550|3.897678|4.291292|5.676923|110.356568|5.530641|2.637439|2.243626|2.000658|1.770575|1.735142|1.887292|2.160013|3.124377|1.568795|2.783580|6.261100|3.423099|0.224462|0.152704|0.212181|0.108269|0.079157|0.072124|0.081801|0.115308|0.199264|0.500000| |4.610805|7.041871|0.204145|5.957170|0.127814|6.789355|6.119109|5.170638|4.808500|5.107797|6.010313|8.770894|12.519889|17.612653|8.925459|6.866790|4.661511|3.986481|4.315902|5.888092|107.610315|5.543578|2.836955|2.325083|2.095249|1.820898|1.745763|1.872274|2.159524|3.043800|1.541329|2.772268|6.661696|3.698773|0.121040|0.109576|0.114251|0.150835|0.121038|0.110680|0.119148|0.146755|0.153760|0.182680|0.500000| |5.074952|6.877238|0.216007|4.817701|0.111646|4.676518|4.530664|3.847151|3.453760|3.511350|4.007266|7.234728|12.231132|17.472469|8.919325|5.598007|4.191208|3.978361|4.792388|7.363537|123.941522|5.536738|2.767834|2.301079|2.033776|1.785698|1.746827|1.907987|2.205499|3.145579|1.576374|2.789333|5.860616|3.091659|0.149239|0.117107|0.120039|0.126855|0.097546|0.083780|0.085614|0.103261|0.125471|0.217888|0.303289|0.500000| |3.630116|4.626215|0.114164|4.544128|0.100360|4.742376|3.830352|3.502912|3.745521|4.574977|5.381949|8.664733|8.881772|7.095294|8.944695|17.772833|8.927591|5.620034|4.985192|5.675327|113.406290|7.499573|3.660672|2.894069|2.615142|2.207454|2.067960|2.198217|2.576439|3.480469|1.755516|3.219761|12.557605|7.496471|0.094643|0.086101|0.101963|0.093627|0.083256|0.091071|0.122685|0.165274|0.170212|0.156910|0.198516|0.141886|0.500000| |3.463732|3.946709|0.112009|3.158085|0.076654|3.079246|2.956070|2.714429|2.594634|2.671778|2.900636|5.271267|6.954209|6.971175|8.915469|5.640306|4.946323|5.638095|8.921579|17.751700|221.798695|7.506007|3.588931|2.912762|2.448745|2.123565|2.114647|2.393521|2.866512|3.929108|1.910474|3.329593|6.522432|3.137047|0.105441|0.082481|0.089470|0.081361|0.070812|0.066114|0.069071|0.078606|0.092514|0.150041|0.150639|0.224734|0.124399|0.500000| |1.978791|2.208381|0.059319|2.118994|0.052524|2.204402|2.050875|2.042684|2.184541|2.369710|2.381049|3.881431|3.581614|2.960156|3.796430|4.504879|6.353434|7.120603|5.041396|3.941774|142.301896|16.499941|17.608944|8.893959|7.333849|4.762865|4.021008|4.231119|5.585768|5.842259|2.864219|5.556843|12.709795|5.002835|0.055030|0.049782|0.055229|0.053134|0.052857|0.058903|0.068073|0.068490|0.067268|0.072361|0.080718|0.075625|0.109151|0.092226|0.500000| |1.983940|2.202190|0.060229|2.054123|0.051183|2.123731|2.018322|2.005194|2.093275|2.208372|2.224807|3.674344|3.564269|3.035831|3.920991|4.184255|5.420194|7.428604|6.220512|4.501050|200.373452|16.573329|17.552899|8.887707|5.991324|4.328614|4.029023|4.645505|6.692174|6.492408|3.048120|5.623195|8.875256|3.725891|0.056211|0.049905|0.054561|0.053106|0.052609|0.056453|0.061946|0.062615|0.063323|0.072831|0.081284|0.080507|0.097709|0.107922|0.300822|0.500000| |1.612152|1.753751|0.047187|1.709730|0.043290|1.766536|1.659080|1.663892|1.778736|1.911080|1.902831|3.152262|2.739232|2.178324|2.603279|2.957589|3.703222|3.963209|3.221291|2.687196|103.083264|8.991758|7.058673|8.961618|17.717388|8.908809|5.724734|5.015572|5.621396|6.591628|3.448934|7.410462|7.630552|3.590319|0.044776|0.041236|0.045319|0.043347|0.043578|0.048668|0.055482|0.054897|0.053539|0.055733|0.059770|0.056743|0.076122|0.066466|0.226475|0.155888|0.500000| |1.365192|1.452673|0.039213|1.414877|0.036387|1.443547|1.368233|1.368305|1.443913|1.531793|1.531111|2.605652|2.219739|1.730372|1.998461|2.183515|2.583684|2.786155|2.432019|2.085542|83.452858|6.061906|4.075140|5.590832|8.781453|17.745825|8.939806|5.637818|4.880491|7.763871|4.651447|12.163681|5.070903|2.527918|0.038129|0.035276|0.038472|0.036194|0.036221|0.039645|0.044147|0.044029|0.043699|0.045644|0.047192|0.045894|0.056982|0.053320|0.113110|0.100223|0.213064|0.500000| |1.799231|1.907426|0.051716|1.759205|0.044625|1.752785|1.662700|1.619987|1.656130|1.742553|1.795532|3.186821|3.029620|2.436122|2.994973|3.068758|3.754038|5.018745|4.708127|3.516336|204.574903|12.385849|6.997718|8.799514|5.616145|4.881782|5.630437|8.934170|17.762854|12.169180|4.653073|7.758993|6.339595|2.835167|0.051861|0.045433|0.050159|0.044650|0.042833|0.044423|0.048464|0.051060|0.054565|0.064367|0.063213|0.066152|0.073823|0.089922|0.140460|0.186391|0.123668|0.106350|0.500000| |1.257926|1.308216|0.035733|1.241259|0.032283|1.243697|1.198009|1.185126|1.215040|1.261451|1.276724|2.248187|1.975781|1.539489|1.747180|1.794152|2.034643|2.312556|2.212379|1.909468|86.125942|4.839742|2.950714|3.757173|3.764660|4.637480|6.664415|6.660679|4.639697|16.571053|17.585566|16.568892|3.660883|1.817096|0.035899|0.032645|0.035158|0.032367|0.031810|0.033187|0.035455|0.036187|0.037464|0.041408|0.041161|0.042184|0.046038|0.050967|0.073757|0.080133|0.087451|0.115374|0.115421|0.500000| |1.276332|1.316412|0.035671|1.250288|0.032539|1.241112|1.185980|1.164668|1.193259|1.248089|1.274166|2.285825|1.991174|1.529583|1.736198|1.795976|2.042841|2.303267|2.179356|1.883599|83.235116|4.845109|2.830810|3.582175|3.590532|4.416854|6.314448|6.311304|4.417754|16.601435|17.661836|16.597351|3.710958|1.850385|0.036407|0.033063|0.035963|0.032052|0.031123|0.032421|0.035081|0.036386|0.038166|0.042023|0.040651|0.041678|0.046246|0.050024|0.071148|0.074426|0.083913|0.110979|0.110998|0.297294|0.500000| |2.815834|3.211079|0.079243|3.313307|0.078525|3.315886|2.754512|2.591399|2.824799|3.435460|3.842766|6.872285|5.414731|3.861191|4.592200|6.753214|7.092097|4.794614|3.833519|3.767292|96.500284|7.477708|3.654827|3.045360|2.869441|2.428476|2.229315|2.309449|2.654468|3.619252|1.848256|3.462236|16.447595|17.567706|0.073750|0.068999|0.083262|0.068972|0.063382|0.071729|0.099636|0.126620|0.128007|0.106399|0.105577|0.088707|0.223521|0.087145|0.112917|0.090460|0.085203|0.063444|0.073461|0.047699|0.049086|0.500000| |2.564983|3.026238|0.077587|3.166379|0.075204|3.428256|2.924996|2.877250|3.283227|4.045922|4.176449|6.159283|4.975005|3.856618|4.564987|6.730582|7.002815|4.720717|3.785588|3.731394|95.421721|7.330880|3.916462|3.148071|3.014622|2.498182|2.243575|2.296926|2.653855|3.556856|1.828039|3.455736|16.429269|17.561588|0.067324|0.063979|0.073096|0.071588|0.070075|0.084856|0.123279|0.131530|0.109924|0.093746|0.112634|0.089068|0.227027|0.086432|0.129194|0.099320|0.092782|0.065678|0.072526|0.047711|0.047924|0.298838|0.500000| 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