Version2.4 2021-06-07T12:42:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCSc1nnc(s1)N2[C@@H](C(=C(C2=O)[O-])C(=O)c3ccc(c(c3)C)OC)c4cccc(c4)OCC=C C40000140 RHF 6-31G(d) (6D,7F) CCSc1nnc(s1)N2[C@@H](C(=C(C2=O)[O-])C(=O)c3ccc(c(c3)C)OC)c4cccc(c4)OCC=C C01[X(C26H24N3O5S2)] 174 C1 596 C=CCOc1cccc(c1)[C@H]1N(c2nnc(s2)SCC)C(=O)C(=C1C(=O)c1ccc(c(c1)C)OC)[O-] C=CCOc1cccc(c1)[C@H]1N(c2nnc(s2)SCC)C(=O)C(=C1C(=O)c1ccc(c(c1)C)OC)[O-] CCSc1sc(nn1)N2[C@H](c3cccc(OCC=C)c3)C(=C([O-])C2=O)C(=O)c4ccc(OC)c(C)c4 InChIKey=PKTAIGWNWKARAO-OAQYLSRUSA-M InChI=1S/C26H25N3O5S2/c1-5-12-34-18-9-7-8-16(14-18)21-20(22(30)17-10-11-19(33-4)15(3)13-17)23(31)24(32)29(21)25-27-28-26(36-25)35-6-2/h5,7-11,13-14,21,31H,1,6,12H2,2-4H3/p-1/t21-/m1/s1 InChI=1/C26H25N3O5S2/c1-5-12-34-18-9-7-8-16(14-18)21-20(22(30)17-10-11-19(33-4)15(3)13-17)23(31)24(32)29(21)25-27-28-26(36-25)35-6-2/h5,7-11,13-14,21,31H,1,6,12H2,2-4H3/p-1/t21-/m1/s1/fC26H24N3O5S2/h31h/q-1 CCSc1nnc(s1)N2[C@@H](C(=C(C2=O)[O-])C(=O)c3ccc(c(c3)C)OC)c4cccc(c4)OCC=C C01[X(C26H24N3O5S2)] 174 C01 596 C=CCOc1cccc(c1)[C@H]1N(c2nnc(s2)SCC)C(=O)C(=C1C(=O)c1ccc(c(c1)C)OC)[O-] C=CCO[C]1[CH][CH][CH][C]([CH]1)[C@H]1N([C]2[N]N=C(S2)SCC)C(=O)[C]([C]1[C](=O)[C]1[CH][CH][C]([C]([CH]1)C)OC)=O CCSC1=N[N][C](S1)N2[C@H]([C]3[CH][CH][CH][C]([CH]3)OCC=C)[C](C(=O)[C]4[CH][CH][C](OC)[C](C)[CH]4)C(=O)C2=O InChIKey=PTGOGHYLYAPTNQ-OAQYLSRUSA-N InChI=1S/C26H24N3O5S2/c1-5-12-34-18-9-7-8-16(14-18)21-20(22(30)17-10-11-19(33-4)15(3)13-17)23(31)24(32)29(21)25-27-28-26(36-25)35-6-2/h5,7-11,13-14,21H,1,6,12H2,2-4H3/t21-/m1/s1 InChI=1/C26H24N3O5S2/c1-5-12-34-18-9-7-8-16(14-18)21-20(22(30)17-10-11-19(33-4)15(3)13-17)23(31)24(32)29(21)25-27-28-26(36-25)35-6-2/h5,7-11,13-14,21H,1,6,12H2,2-4H3/t21-/m1/s1 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0.1390 0.1734 0.0438 0.2455 0.2124 0.0605 0.2575 0.3649 0.2774 0.3413 0.2877 0.4332 1.1006 0.4093 0.6079 0.8397 0.5241 0.8656 0.4489 0.5436 1.1134 0.4779 1.1090 1.3822 1.8652 1.0373 0.9315 1.0358 3.0873 1.5185 2.2814 1.6273 2.2064 3.1896 0.6158 1.4475 1.0278 3.1306 1.2544 1.5339 1.9114 2.7286 0.4774 1.9624 2.0989 1.2740 1.3928 2.7383 2.6312 0.9510 1.2551 1.1356 1.2296 1.4157 1.1963 0.9426 1.4826 0.8961 1.1442 2.0896 0.9532 1.1461 1.0439 3.0129 1.0089 0.9752 1.8218 1.2162 4.5161 4.4419 3.8670 2.4478 1.8513 3.9542 2.6505 2.1590 2.6080 2.1550 1.7892 1.2564 2.4358 2.1596 1.8277 1.6904 7.5981 3.8051 1.3662 1.2831 3.3718 3.2198 1.8806 1.8272 2.0015 1.6701 7.2035 2.0549 2.4806 1.7855 6.5228 2.2509 1.7915 4.3905 2.0172 3.7888 1.9097 1.6829 1.7024 1.7621 1.6478 1.6856 1.6838 3.1860 1.7406 1.9960 3.9376 20.8130 22.2404 12.9758 10.2462 15.0209 11.3051 15.4096 9.1754 28.4332 30.3879 6.3327 6.2371 6.2669 6.2773 6.7888 6.8717 6.9258 6.8527 6.9733 6.9826 6.8788 6.7920 7.0925 6.9072 7.2602 7.2072 7.2626 7.3057 7.3750 7.3936 7.4370 7.4364 7.4440 7.6156 0.0801 0.8087 0.0698 0.4108 0.3993 2.1447 0.5067 0.1378 0.0596 0.0766 0.3605 0.2519 7.0803 1.1977 4.9152 4.5495 0.8468 0.7406 5.6811 4.9275 1.4446 3.2448 5.9122 3.5941 0.0500 2.8909 2.2718 0.1226 0.0375 1.2434 1.3343 3.6764 6.5111 2.6199 2.1542 2.4142 2.4424 5.0561 0.7531 6.0592 2.4006 1.6834 3.4872 1.6221 0.9453 23.9068 2.3245 1.7408 5.2884 17.1163 12.1094 7.1269 14.8179 2.0474 11.2037 1.5721 15.7047 17.1267 5.3494 9.8298 1.9779 0.4787 40.3886 43.6937 3.8122 10.3045 10.4389 2.2581 28.6107 41.0317 32.1650 17.3460 42.1457 15.0287 17.0516 4.3683 12.2741 16.9021 16.7204 0.9618 5.9857 7.9375 51.9498 1.3293 1.5340 2.2482 12.9353 5.7639 32.6763 9.6006 0.1173 3.3091 2.2979 18.9321 40.0444 33.4655 44.7927 47.7076 22.2109 47.8568 3.5523 113.5209 44.9192 4.5121 3.2408 9.8191 143.2001 50.3881 29.8131 89.3391 102.8571 0.0355 2.8099 86.6613 376.3873 132.2015 20.3564 75.6668 69.2349 509.4293 116.6410 441.5734 124.6914 293.9887 186.0012 1.1918 222.3644 86.0539 24.1162 25.4612 6.7675 12.0125 3.0661 5.4240 1.8617 2.9415 58.7720 24.4127 5.6598 65.2522 314.3246 219.0234 16.4871 56.7438 105.4403 58.4816 431.2356 3.7016 844.8435 435.2021 35.2657 62.0145 53.9455 45.8557 41.4015 32.4089 63.7334 8.4756 26.1779 27.2583 24.3761 38.2894 63.5918 19.8444 12.8185 25.3124 4.4603 13.9456 8.3502 22.9573 16.5034 19.4973 2.7144 29.0373 1.6702 0.7234 2.1051 3.0328 2.0737 1.5785 3.6719 1.2911 1.0024 1.8355 2.1306 3.3681 0.3482 1.1676 1.5719 1.8162 1.9131 0.0623 4.7196 0.5456 0.2436 1.8258 1.2972 3.5080 3.7784 1.8892 2.1712 0.0300 4.2776 2.4628 1.2795 0.8923 2.1559 1.3902 3.6814 0.4563 3.0052 1.3039 2.0031 1.8586 0.3887 0.7223 3.0626 0.6281 0.8798 2.0582 1.2332 2.6994 3.4324 1.6371 2.2667 3.2749 5.3215 0.7430 0.7272 1.8677 2.1509 5.5083 9.4367 9.5922 18.2326 7.0744 1.1946 4.3100 0.6233 20.2531 3.8770 0.1392 7.9320 5.3062 6.0108 5.5780 1.6260 1.2063 0.9626 3.9119 1.9147 0.7990 5.9159 1.4866 2.4304 11.2928 1.8089 4.4348 20.1457 0.4002 4.5361 4.5340 3.0117 5.2896 4.3867 2.1856 1.0726 3.9496 0.5485 5.2782 6.9076 6.5604 19.2905 12.3756 14.1277 11.6594 3.8902 3.3876 4.8726 14.0048 4.9461 1.9926 1.6746 11.3046 58.2460 8.2251 15.1596 11.5431 41.8803 1.0786 12.1460 3.8036 1.6599 3.3686 8.1123 11.4379 9.4229 35.2482 22.3710 3.8956 4.7944 18.7937 1.2760 5.4209 17.7535 13.3364 11.5850 23.8216 11.7947 24.3361 1.3651 14.1213 5.0111 3.6098 6.1253 333.3868 9.3093 11.2801 83.7220 9.9276 90.6174 43.0714 63.1844 73.7890 72.4634 94.5709 157.8205 131.5930 29.7064 92.9592 40.6084 103.8244 82.4989 58.2850 25.4233 64.4110 135.9977 72.5609 24.6047 76.9336 86.5117 41.0124 39.1721 35.9775 131.9648 105.1712 36.0924 86.4840 0.7484 0.6769 0.7399 0.7093 0.7405 0.7496 0.7233 0.7339 0.7250 0.7147 0.7497 0.7495 0.7075 0.7453 0.7315 0.7461 0.6604 0.7439 0.7500 0.5227 0.7360 0.4330 0.7334 0.5551 0.6281 0.5593 0.1862 0.7436 0.0818 0.6234 0.6333 0.5873 0.4157 0.4343 0.5562 0.7021 0.4212 0.6112 0.5033 0.4661 0.6250 0.7343 0.7491 0.6179 0.6284 0.6880 0.2906 0.0977 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0.2610 0.2428 0.6683 0.2406 0.8571 0.6999 0.4479 0.7497 0.4650 0.7961 0.2011 0.2700 0.3944 0.7161 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 6 6 16 6 7 7 6 16 7 6 1 6 6 6 8 8 6 8 6 6 6 6 6 6 6 8 6 6 6 6 6 6 6 8 6 6 6 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 31.97207 12.00000 14.00307 14.00307 12.00000 31.97207 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 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 15930.2596 28515.0252 36140.9875 0.99998 -0.00573 -0.00290 0.00573 0.99998 -0.00117 0.00291 0.00115 1.00000 1 0.00544 0.00304 0.00240 0.11329 0.06329 0.04994 16.03 18.02 28.19 35.23 45.54 53.82 58.51 71.40 83.90 96.44 108.25 115.27 120.40 128.24 151.51 158.90 183.50 192.26 202.64 224.75 237.34 245.37 289.22 298.98 314.58 341.69 352.54 372.22 378.96 391.27 404.52 420.46 436.42 476.35 483.11 499.52 515.50 542.95 551.13 581.49 614.81 622.76 672.05 713.90 743.83 754.76 762.61 790.55 811.73 829.49 835.78 915.77 921.96 928.05 952.74 990.96 1013.13 1014.59 1024.20 1025.38 1083.68 1095.33 1132.25 1140.44 1154.57 1183.69 1203.42 1228.63 1235.34 1238.11 1269.51 1280.92 1302.49 1327.39 1348.74 1422.96 1430.58 1446.84 1456.70 1471.93 1493.72 1530.79 1539.45 1555.97 1556.94 1573.71 1580.57 1582.37 1636.41 1655.59 1672.53 1677.02 1689.11 1698.31 1698.95 1727.93 1733.92 1737.76 1776.18 1791.04 1801.49 1815.62 1841.83 1848.45 1863.72 1872.32 1885.91 1906.72 1921.13 1935.64 1975.59 1989.77 2007.26 2044.00 2048.13 2062.04 2062.41 2073.80 2081.64 2095.30 2144.30 2188.93 2211.66 2226.09 2249.90 2250.28 2268.98 2307.79 2337.62 2343.91 2344.29 2345.53 2359.81 2359.84 2370.81 2374.61 2388.42 2394.03 2405.16 2424.08 2439.62 2491.04 2562.14 2573.58 2611.32 2614.31 2618.18 2712.38 2792.32 2862.14 4581.53 4603.80 4608.91 4615.05 4648.60 4680.69 4689.45 4698.89 4709.82 4716.21 4718.29 4720.43 4755.23 4783.74 4793.97 4822.38 4826.17 4854.86 4872.22 4877.40 4884.95 4887.20 4893.32 4897.35 0.493031 0.526052 0.526997 0.422129 -2330.705538 -2330.672516 -2330.671571 -2330.776439 3.517290D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCSc1nnc(s1)N2[C@@H](C(=C(C2=O)[O-])C(=O)c3ccc(c(c3)C)OC)c4cccc(c4)OCC=C C40000140 RHF 6-31G(d) (6D,10F) C1 522.115740 |X|Y|Z| 115.189441 80.795900 49.935022 77.458500 23 6 7 16 19 3 1 |36.858105| |12.487973|36.858105| |6.963028|10.466496|388.023441| |4.613517|6.925056|76.845958|36.858105| |4.310253|6.570581|50.376162|15.031392|53.358707| |3.290756|4.464436|34.737886|8.654700|18.929617|53.358707| |2.966920|3.846276|32.968224|8.050728|11.744348|20.304496|36.858105| |3.336295|4.292438|44.406716|10.934678|10.180625|10.154458|10.868577|388.023441| |2.447166|3.018212|24.909126|5.125090|7.386078|11.154466|13.965434|49.397668|53.358707| |2.202542|2.671251|20.685107|3.979751|6.126009|9.033405|7.640081|32.817474|17.575617|36.858105| |2.272620|2.776319|20.875730|4.009422|6.468285|9.699522|7.100100|30.836249|12.521805|17.635407|0.500000| |1.905599|2.242698|17.491038|3.171985|4.618842|6.059157|5.229530|26.950095|11.133352|12.520636|0.240472|36.858105| |1.895542|2.214024|17.869021|3.208205|4.437156|5.586586|5.191995|29.291257|11.026780|7.872705|0.165558|13.550353|36.858105| |2.203083|2.630173|22.189202|4.212930|5.618927|7.231836|7.880167|43.617812|18.823276|8.000467|0.170274|8.120061|12.388605|36.858105| |2.254546|2.663789|23.438438|4.316514|5.371025|6.361202|6.787959|49.235927|11.419610|5.411480|0.126724|5.427305|7.715083|15.940513|73.516695| |1.730443|1.983971|16.026217|2.764801|3.745889|4.487398|4.030164|24.953823|7.464964|5.264765|0.121322|7.877109|15.756306|8.022150|11.762934|73.516695| |1.695262|1.960017|14.899228|2.596201|3.800321|4.750303|3.816683|21.003240|6.958248|7.281329|0.175749|13.237607|7.580645|5.084079|6.949238|10.964050|36.858105| |1.544902|1.760499|13.420234|2.279852|3.270655|3.944780|3.179872|18.503618|5.560474|5.123754|0.125897|8.096338|6.482201|4.334076|6.265895|11.108839|15.730282|73.516695| |1.678400|1.938348|14.297292|2.467045|3.713669|4.601302|3.459712|18.959045|5.827596|6.214522|0.175648|7.481908|4.939271|3.930811|5.621694|7.427129|12.546452|14.580207|36.858105| |1.763178|2.047046|14.864343|2.570531|3.945318|4.887817|3.538186|19.213738|5.695877|5.875724|0.194655|6.098350|4.317357|3.706605|5.389969|6.484773|7.476015|9.751079|13.816807|36.858105| |1.689230|1.940460|13.737154|2.317170|3.578466|4.263704|2.979681|16.738267|4.525973|4.328466|0.141621|4.253282|3.287217|2.952842|4.461642|5.122960|4.979341|7.305085|7.893276|13.677527|36.858105| |1.556830|1.767652|12.461318|2.066679|3.159411|3.688646|2.590496|14.900620|3.910096|3.661618|0.112328|3.662287|2.901693|2.594649|3.974781|4.623165|4.423530|6.883531|6.827010|7.941086|13.798866|36.858105| |1.493625|1.691290|12.085550|2.004929|3.025493|3.546042|2.549073|14.731174|3.935805|3.721911|0.107699|3.891064|3.060011|2.658728|4.052198|4.918229|5.013982|8.082797|7.832760|6.845073|7.888788|13.598842|36.858105| |1.544851|1.761536|12.837373|2.163398|3.239890|3.884412|2.874264|16.338893|4.635101|4.575713|0.126557|5.153205|3.836629|3.169087|4.709364|6.081379|7.593023|11.851951|13.645763|8.011227|6.919714|7.987638|13.818213|36.858105| |1.367740|1.529492|10.873815|1.769250|2.642034|3.020829|2.172058|12.917095|3.287074|2.967317|0.083970|3.081649|2.550677|2.254347|3.513954|4.202920|3.788798|6.505939|4.985974|4.438333|5.021822|7.557041|12.622909|7.547511|36.858105| |1.475338|1.656123|11.507549|1.870870|2.850662|3.236594|2.248784|13.265154|3.300714|2.956876|0.090028|2.911271|2.407166|2.204806|3.451178|3.900092|3.364500|5.434245|4.593219|5.189647|7.876094|14.016620|8.159933|5.300055|6.946468|73.516695| |1.505595|1.684566|11.543797|1.859996|2.846784|3.180946|2.177740|12.966970|3.124794|2.728704|0.084807|2.630365|2.217725|2.077914|3.288361|3.596613|2.918330|4.695572|3.789252|4.526058|6.760156|8.012479|5.254016|4.001896|4.612111|24.301439|36.858105| |2.177580|2.627296|19.822190|3.710114|5.809945|8.072370|6.083573|28.733925|10.490616|12.439965|0.249054|7.414304|5.453632|5.536845|7.562356|7.344324|5.861459|7.969518|5.547637|4.961900|4.020877|3.659894|3.862234|4.658333|3.173373|5.342857|2.722027|36.858105| |2.028902|2.397561|18.401324|3.313401|4.903360|6.225648|4.965361|26.481603|8.353518|7.480927|0.155409|6.198149|5.200666|5.160219|7.383478|7.392196|5.189287|7.751178|4.576453|3.889424|3.264519|3.119022|3.433268|4.162631|2.974716|4.675722|2.363321|13.624160|36.858105| |1.949000|2.268662|16.997426|2.937647|4.344185|5.176863|3.900237|22.339102|5.933187|5.003203|0.116963|4.344160|3.803061|3.799416|5.815096|5.779781|3.995031|6.305863|3.783597|3.285673|2.918734|2.901475|3.223134|3.717129|2.933180|4.485462|2.262683|7.937688|13.862747|36.858105| |1.986704|2.311266|16.681033|2.843159|4.336954|5.060525|3.566312|20.433955|5.140256|4.402902|0.111108|3.699482|3.177928|3.206903|4.977899|4.870725|3.514266|5.506498|3.591564|3.247991|3.014213|3.050991|3.326767|3.629684|3.073381|4.811623|2.435655|6.814829|7.894434|13.658887|36.858105| |2.123261|2.511693|17.702073|3.079252|4.919565|5.905859|3.918201|21.410978|5.540165|4.992376|0.133888|3.919895|3.236398|3.293692|5.034205|4.861881|3.707468|5.591177|4.010820|3.797527|3.576113|3.550470|3.715251|3.949861|3.297365|5.545726|2.831470|7.899593|6.872125|7.977478|13.801044|36.858105| |2.233066|2.698572|19.369492|3.538065|5.818325|7.711590|5.044258|25.094180|7.415779|7.545872|0.206726|5.153950|3.992203|4.088592|5.976286|5.727357|4.620036|6.540414|5.017311|4.857765|4.293249|3.980779|4.051984|4.505490|3.355654|5.923698|3.040397|13.829483|7.965434|6.924318|7.923062|13.665325|36.858105| |2.109980|2.467962|16.732666|2.817720|4.543714|5.172830|3.319366|18.833743|4.522016|3.928626|0.111781|3.196630|2.694468|2.746782|4.299917|4.139743|3.102724|4.773929|3.476734|3.455526|3.467090|3.513102|3.529684|3.508320|3.225243|5.756504|3.007395|5.279860|4.615233|5.196263|7.862126|14.018525|8.183238|73.516695| |1.976542|2.255704|15.182811|2.463007|3.851861|4.190624|2.756431|16.439192|3.727516|3.103420|0.086699|2.645637|2.304556|2.345917|3.757943|3.626109|2.598630|4.131452|2.850932|2.798566|2.842539|2.956000|3.016167|2.955035|2.910707|5.028459|2.643458|3.978223|3.790932|4.511014|6.728188|7.997553|5.259254|24.240861|36.858105| |1.950874|2.194952|14.359568|2.273717|3.559913|3.760657|2.443350|14.860373|3.252013|2.665062|0.076467|2.301189|2.025012|2.066110|3.348662|3.218804|2.274655|3.642989|2.524909|2.557740|2.683644|2.794206|2.750102|2.610489|2.685400|4.948340|2.692305|3.204893|2.986263|3.351216|4.426569|5.247220|4.099844|14.464654|12.699602|36.858105| |1.739151|1.920763|12.624560|1.965744|3.020355|3.170666|2.100347|12.999937|2.824182|2.304128|0.065915|2.047624|1.816923|1.831397|2.988577|2.927603|2.059060|3.352093|2.290567|2.311601|2.462707|2.624363|2.594529|2.415330|2.624090|4.790184|2.611442|2.700368|2.562737|2.861672|3.616102|4.035585|3.301217|9.765203|7.636196|14.460652|36.858105| |17.551363|8.869360|36.569620|3.890141|5.237421|4.121265|2.692207|20.640828|3.077083|2.080319|0.060099|1.804130|1.775085|2.029397|3.646467|2.884345|1.623890|2.633120|1.626364|1.716567|1.664566|1.540926|1.470950|1.507373|1.352882|2.618219|1.512885|2.074468|1.926450|1.867977|1.930003|2.076329|2.162231|3.734084|1.983406|1.991541|1.781997|0.500000| |17.560371|8.772875|46.063400|4.274085|5.304873|4.156178|2.813469|22.879433|3.192068|2.105601|0.059491|1.834535|1.836908|2.133206|3.909396|2.997155|1.634295|2.663340|1.608031|1.670150|1.596408|1.483351|1.435776|1.489099|1.322852|2.499162|1.424719|2.107301|1.998019|1.937805|1.967073|2.069157|2.147419|3.636642|1.939631|1.901849|1.700345|0.301419|0.500000| |17.560079|8.772035|46.060352|4.272248|5.297223|4.154033|2.814209|22.919052|3.192461|2.100781|0.060289|1.841957|1.848440|2.145242|3.942508|3.022296|1.640602|2.669427|1.617797|1.703660|1.629460|1.496648|1.433679|1.484506|1.311734|2.521656|1.451016|2.041997|1.903754|1.814118|1.832442|1.952647|2.070572|3.432997|1.804813|1.780918|1.601595|0.301410|0.301022|0.500000| |8.792471|17.638154|56.640570|6.605149|9.430626|6.412887|3.926640|29.586310|4.201670|2.777213|0.079859|2.297462|2.238042|2.641851|4.679711|3.541137|2.013173|3.202549|2.003862|2.104973|2.002880|1.837689|1.764169|1.833344|1.599508|3.062901|1.744977|2.817887|2.573112|2.470941|2.558130|2.794384|2.954205|4.919225|2.535851|2.461991|2.123400|0.211782|0.209869|0.172350|0.500000| |8.792654|17.636305|56.635107|6.598674|9.388955|6.405394|3.928741|29.671756|4.202642|2.766322|0.081810|2.312023|2.258867|2.664679|4.736426|3.582533|2.024946|3.213113|2.022759|2.172824|2.068904|1.863014|1.760346|1.824888|1.580132|3.104362|1.793657|2.668238|2.381828|2.230152|2.282813|2.527354|2.764447|4.450288|2.256482|2.216697|1.941010|0.211789|0.172359|0.209851|0.303181|0.500000| |1.872117|2.191569|16.062597|2.817148|4.325521|5.436710|3.971656|21.234960|6.418061|6.433664|0.232155|6.517603|4.715659|4.143204|5.974265|6.944747|6.888533|9.003967|8.946499|17.726371|8.936301|5.660526|4.938549|5.671015|3.549812|7.453663|3.928352|4.853412|3.751276|3.107488|3.031390|3.528740|4.600514|5.701362|2.609818|2.403898|2.160463|0.050342|0.048928|0.050532|0.061923|0.065250|0.500000| |1.727551|1.981057|13.842146|2.314546|3.592920|4.200827|2.881860|16.403455|4.239460|3.872679|0.129747|3.698370|2.975827|2.758763|4.239990|4.673673|4.072363|6.117182|5.645091|8.934839|17.751478|8.892500|5.612501|4.979243|4.086661|12.529848|7.517529|3.550508|2.895800|2.613032|2.720681|3.237704|3.843024|5.743059|2.677967|2.599336|2.392232|0.047532|0.045006|0.046440|0.056473|0.059366|0.217289|0.500000| |1.477952|1.675254|12.309310|2.058525|3.038902|3.605313|2.713844|15.731930|4.394824|4.190642|0.110372|4.882753|3.796894|3.088836|4.633059|6.182887|7.162026|12.841047|8.966867|5.697321|4.977605|5.664443|8.965973|17.729740|6.989735|7.599521|3.336907|4.405091|4.254003|3.873054|3.661167|3.763879|4.113655|5.840953|2.848028|2.481944|2.314883|0.039962|0.039847|0.039451|0.048473|0.047770|0.124859|0.107998|0.500000| |1.290693|1.433390|10.171548|1.638564|2.432109|2.749334|1.979870|11.941887|2.972271|2.625415|0.074869|2.749341|2.325386|2.061702|3.248491|3.887577|3.344385|5.863533|4.268018|3.973309|4.604255|6.727227|8.832983|5.870475|17.546825|12.444134|4.726930|2.732872|2.566612|2.517840|2.617442|2.796308|2.862902|4.925405|2.538577|2.400350|2.377784|0.035537|0.034639|0.034535|0.041406|0.041231|0.090551|0.108254|0.152025|0.500000| |1.330588|1.484589|10.649788|1.730071|2.559098|2.923648|2.131751|12.774500|3.254289|2.913913|0.080216|3.092026|2.590332|2.263875|3.535999|4.316532|3.839544|6.846495|4.746406|3.981656|4.179993|5.577497|8.887362|7.274654|17.576620|8.886028|3.661459|3.155058|3.070090|3.061599|3.138165|3.234154|3.242025|5.475216|2.824873|2.552700|2.494375|0.036429|0.035935|0.035451|0.043138|0.042315|0.090580|0.095978|0.223413|0.300952|0.500000| |1.386889|1.548942|10.894492|1.764547|2.651625|3.006740|2.130527|12.697822|3.168328|2.833608|0.080676|2.838940|2.369064|2.144507|3.362968|3.878397|3.341577|5.629932|4.281817|3.976406|4.594747|6.709638|8.838498|5.880757|17.546990|12.364693|4.739657|3.113343|2.915954|2.956568|3.215140|3.489169|3.420565|6.303832|3.254151|3.036213|3.015330|0.038289|0.037282|0.036779|0.045283|0.044397|0.090499|0.107855|0.151917|0.303125|0.300954|0.500000| |1.633117|1.840724|12.464770|2.019052|3.137510|3.505920|2.350645|13.855827|3.324538|2.906557|0.092174|2.709144|2.274008|2.169108|3.426399|3.641280|2.923149|4.608554|3.764878|4.617467|6.787804|7.079292|4.788125|3.831899|4.102079|16.460777|17.551560|2.916850|2.482564|2.375643|2.595048|3.099882|3.355429|5.990516|2.903805|3.001415|2.859300|0.045744|0.042709|0.043522|0.053208|0.054796|0.113965|0.224750|0.088802|0.111134|0.093164|0.119959|0.500000| |1.480635|1.653014|11.393310|1.831782|2.783513|3.104679|2.144715|12.851383|3.085855|2.667398|0.083321|2.614655|2.223797|2.074365|3.293074|3.631410|2.903419|4.700941|3.720496|4.572708|6.747444|6.993482|4.726514|3.788163|4.058277|16.449181|17.543892|2.580322|2.242041|2.116338|2.235101|2.567309|2.805997|4.744561|2.349570|2.373867|2.291105|0.041226|0.038815|0.039907|0.047127|0.049108|0.113405|0.227989|0.087983|0.118315|0.092285|0.110438|0.299286|0.500000| |1.421125|1.574449|10.733925|1.706213|2.592792|2.852542|1.956562|11.844148|2.783452|2.385109|0.072859|2.305379|1.979391|1.866034|2.984893|3.242566|2.537625|4.159926|3.178397|3.622397|4.917142|5.869570|4.408077|3.418316|4.240606|17.014056|17.619505|2.410809|2.136923|2.079496|2.250036|2.574595|2.687996|4.930930|2.512877|2.611708|2.600912|0.039849|0.037469|0.038044|0.045345|0.046369|0.089268|0.146659|0.082103|0.124668|0.094940|0.125179|0.299822|0.300032|0.500000| |1.947148|2.279901|17.941748|3.199781|4.555093|5.672038|4.830117|27.002272|8.591643|6.949100|0.140429|6.708792|6.235969|5.974379|8.487138|8.911627|5.387909|8.398922|4.335496|3.627973|3.002293|2.854026|3.155505|3.889263|2.754812|4.292138|2.177164|8.878774|17.739319|8.953214|5.628365|4.953561|5.660683|6.511538|3.133638|2.557516|2.243264|0.051001|0.053482|0.051235|0.066923|0.062699|0.098997|0.074343|0.113287|0.067063|0.079948|0.073716|0.062770|0.058159|0.054881|0.500000| |1.827705|2.093737|15.809336|2.658724|3.824836|4.406091|3.379878|20.437368|5.091321|4.079191|0.096540|3.769658|3.469890|3.441746|5.437584|5.477314|3.531590|5.829558|3.280011|2.844326|2.553470|2.566489|2.870881|3.284668|2.690359|4.030791|2.038526|5.642916|8.964639|17.700115|8.924010|5.670729|4.977233|7.446563|3.906741|2.989612|2.624012|0.048607|0.050951|0.047425|0.062978|0.056695|0.075066|0.063970|0.097667|0.064952|0.079398|0.075073|0.058822|0.053246|0.052611|0.216050|0.500000| |1.883661|2.154125|15.375002|2.539710|3.818644|4.284907|3.015454|18.028198|4.262263|3.527961|0.090942|3.080109|2.718910|2.739096|4.357017|4.275785|2.986452|4.816537|3.068410|2.804250|2.669841|2.755628|3.004025|3.182694|2.888431|4.469274|2.273559|4.924518|5.642241|8.907789|17.749946|8.868657|5.622230|12.451826|7.432817|4.701578|3.915425|0.051175|0.052187|0.048190|0.066369|0.058722|0.072722|0.067699|0.090269|0.068995|0.082529|0.085385|0.066893|0.057751|0.059307|0.124272|0.216422|0.500000| |2.313710|2.817356|19.706769|3.600816|6.148825|8.176493|4.967274|24.589194|6.981465|6.978378|0.228554|4.788369|3.718402|3.833464|5.664428|5.377469|4.355038|6.137508|5.006460|5.371568|4.913658|4.338722|4.120587|4.380160|3.336478|6.467062|3.414550|8.918295|5.645969|4.981663|5.664384|8.968191|17.750542|13.532549|4.889578|4.133063|3.326243|0.062724|0.060877|0.059694|0.085247|0.082113|0.144001|0.125802|0.106480|0.080225|0.086804|0.094879|0.108289|0.087320|0.082382|0.124037|0.107988|0.124188|0.500000| |1.787140|2.017688|13.799617|2.226027|3.415832|3.742998|2.530323|15.213207|3.503464|2.943004|0.081045|2.590590|2.256326|2.249977|3.601833|3.585919|2.605234|4.204028|2.864797|2.744584|2.795074|2.994649|3.154538|3.070300|3.150181|5.116941|2.625574|3.760666|3.721438|4.558875|6.729943|6.995926|4.729374|16.486970|17.540073|8.909475|7.230315|0.049644|0.048907|0.045741|0.062116|0.056024|0.069998|0.072045|0.083791|0.075461|0.086272|0.099517|0.078391|0.064550|0.069895|0.086354|0.112728|0.226022|0.119356|0.500000| |2.073860|2.363588|15.938608|2.563979|3.968906|4.232057|2.796918|17.003282|3.720327|2.999953|0.082371|2.548795|2.266482|2.348518|3.805858|3.576019|2.453225|3.925713|2.610235|2.546806|2.533336|2.588268|2.652529|2.660197|2.553531|4.374152|2.319112|3.849998|3.804767|4.662436|6.898199|7.195815|4.852543|16.588471|17.506881|8.944025|6.098439|0.057623|0.057146|0.052166|0.074779|0.064599|0.067121|0.066677|0.072181|0.062587|0.069867|0.077554|0.070224|0.058270|0.061325|0.087920|0.114648|0.227305|0.122116|0.300924|0.500000| |2.137781|2.419263|15.443366|2.436985|3.875826|4.020469|2.551110|15.532365|3.323181|2.688574|0.078395|2.285904|2.019685|2.090546|3.401277|3.197857|2.226783|3.541586|2.463928|2.550124|2.675958|2.713631|2.607242|2.487969|2.491495|4.798733|2.680012|3.167201|2.882323|3.138502|4.012403|4.903176|4.068568|13.082454|8.713061|17.682865|9.150884|0.061187|0.057428|0.053806|0.076151|0.068305|0.067660|0.073379|0.065005|0.062533|0.065317|0.076921|0.084531|0.066216|0.071811|0.068931|0.077367|0.113612|0.118531|0.172524|0.203911|0.500000| |1.609497|1.770092|11.816714|1.840022|2.794392|2.956699|1.992214|12.373457|2.716230|2.224937|0.062896|2.011240|1.787139|1.781272|2.905949|2.897990|2.047446|3.368258|2.272969|2.253500|2.393664|2.600983|2.633960|2.444737|2.740455|4.756896|2.537274|2.617304|2.536964|2.875342|3.614906|3.860755|3.133777|8.828178|6.914074|9.086730|17.688844|0.045527|0.043920|0.041402|0.053955|0.049508|0.057982|0.063762|0.065995|0.068735|0.073251|0.088583|0.075498|0.061815|0.070648|0.062005|0.074329|0.111734|0.085782|0.216104|0.155945|0.173401|0.500000| |1.704722|1.863193|12.108589|1.860397|2.848502|2.949598|1.950780|12.212425|2.604981|2.103236|0.060645|1.879990|1.680810|1.698715|2.790574|2.722525|1.889103|3.087935|2.098744|2.145644|2.306593|2.442430|2.374388|2.197330|2.402151|4.536477|2.534311|2.404399|2.269410|2.482657|3.031281|3.375185|2.887843|7.816143|5.479125|9.103794|17.711192|0.048946|0.046168|0.043692|0.056951|0.052516|0.056147|0.063229|0.058258|0.061561|0.063022|0.076079|0.077250|0.062023|0.071157|0.055930|0.063719|0.089470|0.082365|0.142746|0.130996|0.218013|0.289167|0.500000| 2328.974988 -13825.334738 5265.981746 -255.253204 -6485.631208 4154.432565 -2331.198643 2.000955 409F800000000047 45896FA9FB7EE0E4 4507DA2CFE96DC44 41BEB7290000000C 37F90B76BE106B80 43B72CD561B35743