Version2.4 2021-05-29T13:07:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@@H](C(=O)[O-])NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N3[C@H](Nc4ccccc4C3=O)O C38999202 RHF 6-31G(d) (6D,7F) CC(C)[C@@H](C(=O)[O-])NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N3[C@H](Nc4ccccc4C3=O)O C01[X(C24H25N4O5)] 168 C1 545 O=C([C@@H](N1[C@@H](O)Nc2c(C1=O)cccc2)Cc1c[nH]c2c1cccc2)N[C@H](C(=O)[O-])C(C)C O=C([C@@H](N1[C@@H](O)Nc2c(C1=O)cccc2)Cc1c[nH]c2c1cccc2)N[C@H](C(=O)[O-])C(C)C CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)N3[C@@H](O)Nc4ccccc4C3=O)C([O-])=O InChIKey=RKENJOWFOCKEDT-SKPFHBQLSA-M InChI=1S/C24H26N4O5/c1-13(2)20(23(31)32)27-21(29)19(11-14-12-25-17-9-5-3-7-15(14)17)28-22(30)16-8-4-6-10-18(16)26-24(28)33/h3-10,12-13,19-20,24-26,33H,11H2,1-2H3,(H,27,29)(H,31,32)/p-1/t19-,20-,24-/m0/s1 InChI=1/C24H26N4O5/c1-13(2)20(23(31)32)27-21(29)19(11-14-12-25-17-9-5-3-7-15(14)17)28-22(30)16-8-4-6-10-18(16)26-24(28)33/h3-10,12-13,19-20,24-26,33H,11H2,1-2H3,(H,27,29)(H,31,32)/p-1/t19-,20-,24-/m0/s1/fC24H25N4O5/h27H/q-1 CC(C)[C@@H](C(=O)[O-])NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N3[C@H](Nc4ccccc4C3=O)O C01[X(C24H25N4O5)] 168 C01 545 O=C([C@@H](N1[C@@H](O)Nc2c(C1=O)cccc2)Cc1c[nH]c2c1cccc2)N[C@H](C(=O)[O-])C(C)C CC([C@@H]([C]([O])=O)[NH][C](=O)[C@@H](N1[C@@H](O)N[C]2[C]([CH][CH][CH][CH]2)C1=O)C[C]1=CN[C]2[C]1[CH][CH][CH][CH]2)C CC(C)[C@H](NC(=O)[C@H](CC1=CN[C]2[CH][CH][CH][CH][C]12)N3[C@@H](O)N[C]4[CH][CH][CH][CH][C]4C3=O)C([O])=O InChIKey=AITJGSBUUXUZSS-SKPFHBQLSA-N InChI=1S/C24H25N4O5/c1-13(2)20(23(31)32)27-21(29)19(11-14-12-25-17-9-5-3-7-15(14)17)28-22(30)16-8-4-6-10-18(16)26-24(28)33/h3-10,12-13,19-20,24-26,33H,11H2,1-2H3,(H,27,29)/t19-,20-,24-/m0/s1 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114.1542 136.2302 143.0000 145.9328 172.7259 190.6118 203.2647 244.7215 247.3797 254.9897 261.6082 267.7007 277.1376 290.6254 315.4204 327.3966 352.1026 362.3134 370.1854 378.8749 415.9117 457.4985 460.6874 470.3631 476.8666 482.3023 496.9919 514.4084 521.7765 546.2666 559.7728 582.3364 594.3596 607.2119 631.9410 640.7901 656.7743 675.3978 686.3119 707.0956 725.0893 747.7900 769.4049 783.5930 790.7371 806.2012 823.6542 835.0489 848.6935 850.2681 857.6129 871.2281 893.3438 902.4868 911.3777 949.2853 955.7026 961.9312 975.1987 1006.0056 1012.3616 1024.1028 1039.7771 1044.6365 1046.4351 1053.8660 1072.4717 1083.6752 1091.8358 1098.5329 1112.1156 1114.8693 1119.3228 1139.0429 1156.7253 1166.2872 1199.0063 1208.6920 1209.8511 1215.4387 1221.2440 1229.5681 1242.9787 1252.5827 1260.1365 1287.5987 1314.4905 1317.9009 1320.8776 1337.6070 1341.2053 1349.9804 1371.6639 1384.9239 1388.2554 1394.9392 1406.3587 1414.4418 1435.1116 1442.0054 1471.1541 1481.6257 1492.3358 1508.7604 1512.6489 1517.3669 1543.2333 1555.9731 1556.7891 1565.3311 1573.6669 1584.7651 1606.5808 1625.2422 1629.3261 1631.6689 1634.4355 1642.6119 1650.0208 1653.3089 1655.7078 1661.8329 1670.7247 1678.3025 1741.8002 1774.1407 1787.2208 1815.4368 1819.2823 1893.0585 1925.2859 1957.6544 3173.5939 3184.4381 3214.3847 3227.8376 3241.8877 3244.1323 3252.2615 3259.2146 3269.2492 3274.3702 3303.7123 3318.1226 3336.3577 3347.8240 3351.6947 3359.9638 3370.7144 3372.0196 3381.3745 3414.7134 3435.4771 3774.1529 3848.1342 3918.0698 4100.7857 5.9301 5.3454 5.7274 5.7230 4.8926 5.8981 4.3017 3.9803 5.5425 6.1360 5.2575 5.8314 7.3328 5.6433 5.9900 6.5528 6.7449 5.4041 1.5939 2.1735 3.6944 4.3752 1.2591 2.7991 2.9330 4.5511 3.9841 6.9713 1.2761 5.5069 2.9560 1.6216 3.0201 2.8896 3.5573 3.1100 3.6339 3.1611 4.9845 3.2710 3.0170 3.8118 5.5977 6.3757 5.4462 4.9800 3.1971 4.5543 3.5141 4.3702 4.5901 2.2302 2.4200 4.9371 4.1103 2.2433 3.0270 4.9514 1.3523 4.0378 3.6178 4.1608 1.8204 4.1952 4.3247 3.4910 4.8514 1.5781 3.3530 1.8114 1.7727 1.8163 2.2955 1.6534 1.5327 1.3482 1.9528 3.0041 1.2784 1.3815 4.4649 2.6586 2.9385 1.3646 2.0733 3.3395 3.8402 3.5666 1.8283 1.7316 2.3277 2.0304 1.6946 1.4114 2.6525 1.9477 2.1238 2.7245 1.8959 1.4101 1.7310 1.6381 2.2657 2.8411 1.6937 2.6606 1.4817 1.4869 1.7719 1.9614 1.7248 1.2276 1.9337 2.1023 1.9524 1.5454 1.3389 1.2536 1.5110 2.5559 1.2766 1.6492 2.1868 1.5835 1.5672 1.5067 1.5457 1.0490 1.0593 1.0501 2.4296 2.7221 1.0577 2.2974 2.4251 4.9407 5.5072 6.6164 6.0507 5.3192 10.5923 10.7696 11.1718 1.0491 1.0476 1.0826 1.0942 1.0876 1.0920 1.0858 1.0653 1.0841 1.1029 1.1043 1.0960 1.0854 1.0896 1.0874 1.0950 1.0924 1.0979 1.0969 1.0944 1.1027 1.0756 1.0777 1.0810 1.0660 0.0006 0.0007 0.0018 0.0039 0.0047 0.0080 0.0108 0.0119 0.0251 0.0332 0.0348 0.0448 0.0802 0.0680 0.0752 0.1152 0.1444 0.1316 0.0562 0.0784 0.1415 0.1764 0.0532 0.1267 0.1460 0.2668 0.2516 0.5092 0.0987 0.4446 0.2500 0.1653 0.3724 0.3613 0.4637 0.4167 0.4980 0.4600 0.7771 0.5247 0.5304 0.7037 1.1184 1.3270 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5.1131 2.3942 13.0251 4.1812 14.9937 0.9290 1.3996 1.7385 14.0781 12.2031 17.9094 99.3601 15.6928 2.8952 92.3663 26.8017 38.5343 15.5428 24.2532 7.8532 13.4392 18.5320 8.7187 30.6636 58.3097 3.3880 3.3226 2.9135 23.0046 1.3162 22.5920 23.1899 4.8204 12.7487 67.2792 20.0002 7.4299 4.6500 34.9299 57.5018 5.9099 67.2529 52.0607 10.0043 15.3323 68.1981 4.2260 46.1264 10.4059 0.8678 1.5849 8.1349 11.9819 9.6912 9.7170 28.4250 24.7392 3.3345 6.9011 9.3885 16.5668 0.2205 0.9229 8.1437 13.7996 18.6915 1.7640 1.6026 27.7585 13.6166 27.1928 48.0193 9.8341 5.0157 11.4650 23.6290 4.0550 26.9155 2.2536 37.0641 175.3100 13.2909 16.6991 6.6053 23.6408 26.9678 2.1245 11.4038 20.3437 80.2682 61.7453 7.7592 18.6663 104.4980 32.3686 65.0680 150.3351 86.2329 6.1442 33.0899 76.4451 81.0230 244.7900 24.1050 43.9185 83.0097 18.1944 28.1035 11.6907 15.0507 4.5165 4.2321 3.1621 293.2997 10.2004 7.9086 20.3916 543.7317 39.9622 2.4353 4.2340 90.1625 14.4565 754.0160 373.5914 312.5622 57.5122 89.2017 27.5632 50.6879 43.1679 66.1519 36.3276 7.8922 60.3723 41.9093 14.6732 14.6605 1.0390 13.1027 6.1848 71.2766 28.5367 51.3554 40.7388 4.9832 74.3847 10.4123 128.2348 96.0770 53.2342 2.2438 1.8385 2.4838 1.2727 1.4559 1.3410 2.0410 5.2838 4.8346 1.8673 0.5754 3.5818 1.0422 2.4367 1.5809 1.3163 1.8003 1.8917 0.8463 1.6711 1.8001 0.4645 0.2732 0.5683 0.5510 1.5594 1.9166 0.8259 1.6552 1.2322 1.5600 2.6811 1.4277 1.8115 0.3701 0.7871 0.7073 0.6952 0.8329 1.7544 1.2777 3.4591 3.4148 6.5115 5.1845 4.1124 0.6277 1.3416 3.4588 1.2744 1.2648 1.2547 1.1285 3.4417 11.5540 3.0702 6.8985 11.7950 1.0747 4.9964 2.5748 20.2762 1.0441 1.1744 0.3787 3.2753 13.3010 2.2821 1.6569 4.1498 1.1925 3.1115 9.8121 2.9138 6.9983 0.4756 9.4698 5.7694 0.3068 0.6107 8.3711 12.5172 14.2103 0.7605 12.6176 8.0434 1.2866 3.3758 6.4498 4.3171 3.0822 10.3013 2.3679 5.9468 4.5858 4.0815 16.4818 1.9185 5.0945 14.6314 0.7054 7.1730 14.1514 33.6567 16.3846 12.9467 2.0290 3.4521 3.3325 21.7353 4.2604 5.6908 3.5025 28.3720 11.6746 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6 1 7 6 6 6 6 6 6 6 8 8 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 12.00000 12.00000 1.00783 12.00000 15.99491 15.99491 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 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 12590.6645 18101.9697 27158.0950 0.99973 0.02242 -0.00577 -0.02245 0.99974 -0.00430 0.00568 0.00443 0.99997 1 0.00688 0.00478 0.00319 0.14334 0.09970 0.06645 18.58 21.97 32.94 49.18 58.27 68.83 93.75 102.37 126.22 137.84 152.46 164.24 196.00 205.75 209.96 248.51 274.25 292.45 352.10 355.92 366.87 376.40 385.16 398.74 418.15 453.82 471.05 506.60 521.29 532.61 545.12 598.40 658.24 662.83 676.75 686.10 693.93 715.06 740.12 750.72 785.96 805.39 837.85 855.15 873.64 909.22 921.95 944.95 971.75 987.45 1017.35 1043.24 1075.90 1107.00 1127.42 1137.69 1159.94 1185.05 1201.45 1221.08 1223.35 1233.91 1253.50 1285.32 1298.48 1311.27 1365.81 1375.04 1384.00 1403.09 1447.42 1456.56 1473.46 1496.01 1503.00 1505.59 1516.28 1543.05 1559.17 1570.91 1580.54 1600.09 1604.05 1610.46 1638.83 1664.27 1678.03 1725.10 1739.04 1740.71 1748.75 1757.10 1769.07 1788.37 1802.19 1813.06 1852.57 1891.26 1896.17 1900.45 1924.52 1929.70 1942.32 1973.52 1992.60 1997.39 2007.01 2023.44 2035.07 2064.81 2074.72 2116.66 2131.73 2147.14 2170.77 2176.36 2183.15 2220.37 2238.70 2239.87 2252.16 2264.16 2280.12 2311.51 2338.36 2344.24 2347.61 2351.59 2363.35 2374.01 2378.74 2382.19 2391.01 2403.80 2414.70 2506.06 2552.59 2571.41 2612.01 2617.54 2723.69 2770.06 2816.63 4566.09 4581.70 4624.78 4644.14 4664.35 4667.58 4679.28 4689.28 4703.72 4711.09 4753.31 4774.04 4800.27 4816.77 4822.34 4834.24 4849.71 4851.58 4865.04 4913.01 4942.89 5430.16 5536.61 5637.23 5900.12 0.503065 0.530746 0.531690 0.441336 -1515.095312 -1515.067632 -1515.066688 -1515.157042 3.030488D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE CC(C)[C@@H](C(=O)[O-])NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N3[C@H](Nc4ccccc4C3=O)O C38999202 RHF 6-31G(d) (6D,10F) C1 449.182495 |X|Y|Z| 77.949179 94.367019 33.864275 62.920358 21 6 7 18 3 |36.858105| |12.433601|36.858105| |7.547318|12.441411|36.858105| |7.457825|12.315001|7.452419|36.858105| |5.501193|8.880791|7.196225|17.583179|0.500000| |6.370728|7.341838|5.849393|12.205192|0.245449|36.858105| |5.464925|5.506369|4.350919|7.997705|0.170855|15.323400|73.516695| |5.493453|6.297506|6.164651|8.069576|0.202584|15.550686|15.213523|73.516695| |6.117809|7.692234|4.995030|13.076501|0.255554|7.787303|13.125882|9.528212|53.358707| |4.680829|5.858460|4.231949|7.685363|0.199789|5.156367|8.796948|7.172648|19.394551|36.858105| |4.271376|5.671679|4.392390|6.624959|0.196709|4.418400|7.148664|6.578996|11.510345|15.835449|73.516695| |3.695281|4.111688|3.183898|4.999617|0.129923|4.030073|7.524945|5.770646|10.757783|12.326738|14.067242|36.858105| |3.917896|4.081705|3.105140|4.725777|0.116458|3.946332|7.618330|5.621961|10.016077|8.972205|10.937116|17.608255|0.500000| |3.163613|3.466523|2.815404|4.409904|0.117953|3.947444|7.750875|5.697639|8.543216|7.378191|9.736084|12.211783|0.246518|36.858105| |3.138572|3.240852|2.638651|4.049047|0.103364|3.968725|8.487343|5.689899|7.478455|5.413063|7.331681|7.431455|0.209764|12.654463|36.858105| |3.329894|3.362603|2.753455|4.300576|0.107120|4.655078|11.006231|6.552154|7.438018|4.756407|6.574272|5.447071|0.156720|7.424159|14.088387|36.858105| |2.970174|2.872946|2.408308|3.443467|0.085900|3.797384|8.802779|5.610705|5.603545|3.659416|5.301861|4.174352|0.125981|5.145538|8.515489|13.870515|53.358707| |2.944154|2.789455|2.371913|3.289664|0.081694|3.782895|8.907359|5.700900|5.102512|3.259449|4.820409|3.543667|0.106485|4.148951|6.001413|9.103820|26.117146|0.500000| |2.676816|2.587692|2.177704|2.997382|0.075760|3.127522|6.795176|4.709887|4.956893|3.438482|5.049716|4.181701|0.130007|5.073086|8.302757|8.523101|18.958575|0.250800|36.858105| |2.737796|2.727461|2.266914|3.197009|0.081759|3.165238|6.655222|4.712465|5.559759|4.091505|5.891920|5.529780|0.171556|7.231784|13.155264|8.511323|11.614116|0.165940|13.560619|36.858105| |2.414239|2.407789|2.032679|2.722877|0.070796|2.629352|5.303644|4.013151|4.624885|3.572744|5.372622|4.888365|0.150833|5.746107|7.273675|5.261854|7.313073|0.118913|7.896964|13.640900|36.858105| |2.162467|2.116244|1.816336|2.335235|0.060716|2.295025|4.609966|3.570235|3.817176|2.883077|4.456157|3.665642|0.113277|4.074117|5.000664|4.171817|6.326384|0.109284|6.922909|7.951043|13.817053|36.858105| |2.135942|2.052699|1.772486|2.258383|0.058243|2.285081|4.665471|3.575725|3.611667|2.629624|4.063361|3.184937|0.098637|3.541332|4.537330|4.180965|7.016678|0.125812|8.030362|6.851480|7.883811|13.600237|36.858105| |2.339696|2.230075|1.914032|2.494526|0.063599|2.597128|5.472657|4.025688|3.982702|2.800847|4.254094|3.321756|0.103041|3.789753|5.249769|5.289399|10.339805|0.184042|13.690321|7.787701|6.760158|7.871608|13.819136|36.858105| |3.078299|3.410945|2.778862|3.837978|0.104276|3.142627|5.703962|4.734289|7.068883|7.642922|12.278166|13.027756|0.260236|7.561057|5.179217|3.962236|4.480251|0.079428|3.442359|4.479154|4.486801|3.468168|2.918382|2.901412|53.358707| |2.998946|3.190034|2.613831|3.354023|0.089065|2.783998|5.047117|4.260431|5.886532|5.696662|9.598177|7.712828|0.216861|5.121953|4.165457|3.354092|4.009211|0.072447|3.151294|3.941175|4.161092|3.396372|2.853745|2.767502|18.007387|36.858105| |3.052292|3.119959|2.530704|3.279694|0.084788|2.799094|5.205949|4.249901|5.820419|5.230203|8.221704|7.392459|0.250960|5.149379|4.535402|3.613360|4.418586|0.079222|3.576505|4.524633|4.897550|3.975162|3.288203|3.152604|12.703497|17.586409|0.500000| |2.458364|2.596848|2.217104|2.699159|0.073167|2.310998|4.178706|3.626280|4.470428|4.083902|7.231731|5.116461|0.140230|4.029970|3.393202|2.788099|3.432784|0.062701|2.737348|3.354620|3.730280|3.179029|2.640439|2.488285|10.746317|13.231627|0.260187|53.358707| |2.262963|2.452228|2.146319|2.562674|0.071483|2.188744|3.894952|3.482758|4.123131|3.799556|7.126841|4.471299|0.114326|3.706359|3.034530|2.535294|3.093587|0.056919|2.418007|2.919201|3.170146|2.724750|2.305108|2.196378|9.254937|7.912333|0.161210|18.321465|36.858105| |1.979333|2.124118|1.903913|2.183287|0.061146|1.897425|3.363909|3.069347|3.398216|3.001918|5.665861|3.372963|0.088446|2.931411|2.498705|2.145187|2.669137|0.049744|2.083700|2.446143|2.666986|2.378782|2.042191|1.933164|6.188536|5.197569|0.118760|10.652547|13.721513|36.858105| |1.827266|1.982845|1.813098|2.043286|0.058158|1.785468|3.138060|2.922561|3.110090|2.717745|5.229801|2.950441|0.076041|2.647455|2.254755|1.965840|2.441801|0.045801|1.882017|2.180407|2.336724|2.097718|1.828715|1.746952|5.166191|3.991698|0.093481|7.020459|7.956426|13.784884|36.858105| |1.875524|2.075447|1.909984|2.170435|0.062903|1.885525|3.287633|3.093146|3.284385|2.903897|5.714032|3.093262|0.077275|2.816469|2.341102|2.043921|2.502126|0.046872|1.903384|2.210586|2.322311|2.055639|1.802720|1.744698|5.374179|3.839591|0.089044|6.190030|6.868060|7.915241|13.707232|36.858105| |2.109013|2.374713|2.151915|2.538132|0.074207|2.167966|3.774149|3.513580|3.918605|3.599416|7.204054|3.868488|0.092702|3.478384|2.762495|2.371148|2.840373|0.052706|2.147561|2.540628|2.632477|2.267346|1.976208|1.930797|7.026485|4.618697|0.103259|7.024343|7.931616|6.864308|7.952693|13.794703|36.858105| |2.354884|2.631418|2.309491|2.826421|0.080836|2.380989|4.193864|3.781354|4.557515|4.365533|8.513711|5.033107|0.118884|4.231617|3.263577|2.714386|3.224495|0.059096|2.469038|3.001152|3.145174|2.642108|2.258939|2.196350|10.695174|6.914700|0.141585|10.724683|13.748509|7.924118|6.885183|7.933840|13.711905|36.858105| |2.709429|3.084201|2.624944|3.477869|0.099554|2.871394|5.091234|4.444713|5.933940|6.179793|11.579919|7.775437|0.160601|6.202425|4.257036|3.404964|3.876529|0.069790|2.930029|3.681526|3.705144|2.967213|2.532217|2.513843|18.973898|7.822952|0.161765|9.131427|7.614984|5.044664|4.471412|5.059494|7.638872|12.734441|36.858105| |2.633624|3.056203|2.649128|3.581509|0.106268|2.995093|5.274726|4.663668|5.950642|5.982597|11.262614|6.838071|0.138885|6.538197|4.320361|3.519153|3.922457|0.070720|2.892318|3.585887|3.482362|2.797889|2.431598|2.455448|11.470478|5.364818|0.123546|6.452348|5.336493|4.027904|3.836674|4.558152|6.778374|8.119095|15.890251|73.516695| |3.357385|3.615696|2.938469|3.587940|0.094979|2.870731|5.046614|4.428397|6.083414|5.850916|10.764779|6.306481|0.178111|4.218907|3.532858|3.018455|3.618995|0.066934|2.753012|3.268602|3.307400|2.811357|2.465638|2.439489|11.253888|13.749793|0.260212|11.228286|6.384291|4.701808|3.764852|3.640662|4.267425|5.823858|6.187968|8.217314|73.516695| |17.551362|8.755321|5.480781|6.905812|0.139856|5.976772|10.216459|8.550116|9.303642|5.133974|7.839753|4.208479|0.130390|3.522686|3.576283|3.772770|4.593192|0.091991|3.059844|3.135037|2.738481|2.437646|2.406332|2.648712|4.640833|3.360722|0.097684|3.664962|2.418977|2.091725|1.903553|1.937870|2.187047|2.489505|2.895532|4.923050|6.609668|0.500000| |17.555705|8.775384|6.884269|6.636708|0.140333|6.998082|10.631328|11.446827|7.135633|3.988407|6.444214|3.267522|0.095564|2.938416|2.995626|3.294063|4.068601|0.084382|2.635770|2.625639|2.293211|2.076073|2.084867|2.315038|3.709395|2.625983|0.074695|2.989260|2.036476|1.797814|1.672665|1.720635|1.924287|2.123719|2.434660|4.275084|5.074337|0.301360|0.500000| |17.498154|8.780485|6.846166|5.448193|0.123307|4.716704|7.415981|7.731395|6.442073|3.969236|6.733965|3.241862|0.095657|2.762904|2.724435|2.834275|3.520744|0.071339|2.386534|2.441827|2.205605|2.003393|1.975838|2.131850|3.839574|2.832501|0.079795|3.217023|2.178883|1.931213|1.784005|1.816027|2.015108|2.235897|2.506422|4.282864|5.765591|0.301177|0.300837|0.500000| |8.925109|17.538216|8.955285|9.003110|0.211325|5.476034|8.009256|8.409767|10.159524|6.616604|12.369301|4.472424|0.122244|3.553231|3.208952|3.191709|3.714698|0.072443|2.526072|2.725214|2.455272|2.146179|2.048389|2.187801|5.211606|3.643240|0.096676|3.970164|2.753546|2.363811|2.191453|2.289521|2.633704|2.951726|3.441934|5.911304|7.734383|0.211314|0.173793|0.215844|0.500000| |6.780275|8.790500|17.623224|6.741354|0.179188|6.405642|8.206618|13.850746|6.140334|3.724499|6.634743|2.908746|0.079238|2.666782|2.559201|2.740209|3.292873|0.067189|2.154854|2.203857|1.959735|1.763333|1.740895|1.898119|3.429408|2.357781|0.064179|2.750960|1.955222|1.744614|1.667078|1.755212|1.967621|2.099700|2.385986|4.329282|4.592950|0.139419|0.202185|0.165916|0.174276|0.500000| |5.487509|8.785553|17.524573|6.825299|0.216615|5.198047|6.986293|9.787060|6.451483|4.256185|8.306780|3.166434|0.083347|2.817610|2.572405|2.644310|3.118546|0.062135|2.084808|2.196763|1.983163|1.763801|1.707080|1.830835|3.830729|2.605130|0.068773|3.035561|2.201935|1.956263|1.885183|2.013175|2.280343|2.410280|2.734787|4.984917|5.197343|0.122663|0.139882|0.140785|0.215759|0.301744|0.500000| |6.938792|8.794601|17.486793|5.443856|0.144457|4.510050|6.422263|8.360768|5.624621|3.660156|6.832126|2.862701|0.078751|2.510961|2.369629|2.447198|2.974699|0.059970|2.007040|2.082699|1.895877|1.712779|1.672643|1.790439|3.496047|2.483892|0.066926|2.903360|2.061570|1.850425|1.761594|1.838039|2.041695|2.184024|2.424760|4.282492|5.044386|0.140962|0.172364|0.206884|0.214341|0.299099|0.301345|0.500000| |5.666057|6.120504|4.260229|9.276377|0.189169|7.929079|16.604943|9.352417|26.001794|9.346741|10.803363|7.537087|0.215191|6.785004|6.793761|7.289277|7.061585|0.129241|4.384889|4.826936|3.794437|3.106230|2.984857|3.390691|6.566960|4.078580|0.117386|4.273686|2.846376|2.362263|2.152302|2.250627|2.653910|3.087987|3.975038|7.085349|7.150200|0.187046|0.143257|0.121773|0.157610|0.112308|0.110166|0.100401|0.500000| |2.707752|2.945891|2.469625|3.579145|0.098166|3.240389|6.237754|4.858508|6.411969|5.644713|8.323229|8.834335|0.191065|17.612651|8.971983|5.699587|6.017101|0.100574|4.647020|6.771340|6.162845|4.279435|3.558873|3.641571|10.410213|5.139313|0.140649|5.871701|4.054052|3.181594|2.873010|3.068260|3.824386|4.688256|6.865006|13.000975|7.162924|0.082635|0.070177|0.067258|0.084841|0.065033|0.069329|0.062136|0.136378|0.500000| |3.171365|3.604599|2.980185|4.829539|0.135519|4.349120|8.320622|6.288816|8.884295|7.372266|10.158294|8.756761|0.179436|17.621149|8.919805|6.923081|6.397905|0.109366|4.330426|5.497395|4.444279|3.386073|3.055643|3.319247|8.258715|4.261926|0.114856|4.728986|3.345341|2.708389|2.516383|2.739820|3.400812|3.941695|5.684635|11.993038|6.653536|0.095140|0.082844|0.076270|0.100753|0.079006|0.084315|0.072486|0.187549|0.306480|0.500000| |3.634278|3.740185|3.068002|5.060741|0.125081|5.958368|15.392043|8.076077|8.293578|4.899173|6.818071|5.017416|0.138708|6.388660|8.666109|17.771105|12.225800|0.215209|5.884353|5.783970|4.088212|3.380017|3.406633|4.179445|4.987368|3.096873|0.090284|3.509891|2.388451|2.035415|1.887283|1.980620|2.299425|2.589819|3.239205|6.077913|5.127706|0.111629|0.102045|0.084014|0.095447|0.086251|0.081651|0.074176|0.229930|0.136219|0.188621|0.500000| |2.361165|2.399961|2.031340|2.701745|0.071275|2.537955|4.990731|3.890980|4.615089|3.741418|5.722658|5.346592|0.158100|6.088373|6.461421|4.564774|5.915645|0.099195|5.612984|8.857410|17.693431|8.920987|5.614142|4.891377|7.274685|4.898676|0.158054|6.130420|3.779331|3.104792|2.676471|2.649451|3.033354|3.720722|4.387093|7.119616|6.537082|0.073763|0.061564|0.060313|0.069127|0.053862|0.055604|0.052730|0.101686|0.200236|0.128058|0.103088|0.500000| |1.981232|1.945490|1.687190|2.115266|0.055486|2.058775|4.059475|3.240137|3.410656|2.614928|4.132812|3.278535|0.099729|3.526810|4.030148|3.408264|5.011684|0.089471|4.976624|5.646048|8.942016|17.699337|8.884276|5.627678|4.425018|3.276089|0.105520|4.359820|2.745864|2.439732|2.141339|2.068705|2.246634|2.605433|2.833748|4.700320|4.812654|0.061483|0.052660|0.051597|0.055249|0.045348|0.045705|0.044523|0.075435|0.105255|0.082887|0.079509|0.215186|0.500000| |1.946228|1.861079|1.626932|2.017522|0.052272|2.046538|4.127081|3.247789|3.162006|2.301316|3.617206|2.717961|0.083315|2.954385|3.612863|3.417354|5.624702|0.106093|5.682167|4.939639|5.630873|8.880272|17.699976|8.961703|3.460681|2.528325|0.080033|3.249616|2.101490|1.894710|1.705124|1.670647|1.807656|2.042307|2.242660|3.828476|3.946095|0.060367|0.052999|0.050550|0.051591|0.044496|0.043523|0.042957|0.071574|0.082870|0.072407|0.080306|0.123887|0.215378|0.500000| |2.244453|2.114887|1.836923|2.343184|0.059715|2.490714|5.254441|3.915868|3.639144|2.517335|3.869420|2.876925|0.088263|3.224142|4.284705|4.605608|9.122507|0.186494|8.839885|5.565670|4.891690|5.602819|8.893112|17.698221|3.437842|2.425708|0.075686|2.989273|1.961032|1.746968|1.592240|1.591656|1.748384|1.963333|2.222682|3.886313|3.889748|0.069963|0.062614|0.057040|0.057065|0.051083|0.048595|0.047891|0.085627|0.085441|0.080989|0.106676|0.106451|0.123716|0.214852|0.500000| |2.290916|2.383830|2.045396|2.503446|0.067549|2.195751|4.030207|3.449551|4.137017|3.659044|6.280629|4.722794|0.132759|3.975528|3.455618|2.806977|3.516793|0.063880|2.876486|3.564373|4.176806|3.584510|2.886757|2.651132|9.151629|9.378452|0.241104|25.914387|9.457867|6.759595|4.661490|4.088617|4.515021|6.366574|5.738459|7.679194|10.760843|0.070023|0.057593|0.060972|0.072890|0.052430|0.056866|0.054575|0.082779|0.121829|0.093655|0.070910|0.145430|0.102862|0.072486|0.064356|0.500000| |1.898469|2.002681|1.797443|2.034577|0.056379|1.785933|3.181908|2.896315|3.150846|2.722193|5.050423|3.056075|0.082630|2.667645|2.340991|2.026527|2.559902|0.047934|2.014047|2.338148|2.579153|2.350393|2.022086|1.895506|5.393021|4.752070|0.114444|9.791697|8.935472|17.716899|8.881924|5.624715|4.947638|5.647922|4.113392|5.981610|7.762003|0.055938|0.047994|0.051856|0.061646|0.045907|0.050839|0.048906|0.061443|0.079598|0.068031|0.053217|0.082608|0.067850|0.052587|0.047723|0.184617|0.500000| |1.673116|1.800433|1.664359|1.839934|0.052277|1.625467|2.856731|2.682012|2.762722|2.363402|4.516458|2.535244|0.066311|2.307382|2.007812|1.773339|2.226763|0.042053|1.715776|1.959925|2.101631|1.920025|1.689250|1.609919|4.272407|3.325827|0.080514|5.685482|5.655475|8.945080|17.702900|8.901128|5.652308|4.957188|3.569934|5.625735|5.681848|0.048214|0.042782|0.045667|0.054904|0.042712|0.047972|0.045214|0.053416|0.069023|0.061245|0.047406|0.065997|0.054799|0.044153|0.041033|0.108382|0.214398|0.500000| |1.740550|1.928106|1.803338|2.012417|0.058763|1.765503|3.064820|2.927431|2.988111|2.589628|5.098632|2.700776|0.067797|2.513794|2.119255|1.878353|2.309980|0.043561|1.745170|1.999721|2.083663|1.864031|1.653648|1.607151|4.485755|3.172890|0.075617|4.925742|4.949496|5.636930|8.893125|17.717689|8.924502|5.641580|4.117753|6.991174|5.447203|0.049525|0.044678|0.046930|0.058576|0.046277|0.053095|0.048300|0.056993|0.075496|0.069066|0.050941|0.065090|0.052081|0.042808|0.041018|0.092533|0.123769|0.214567|0.500000| |2.115641|2.420049|2.217224|2.629665|0.078533|2.248093|3.881672|3.663322|4.000904|3.656945|7.431300|3.799805|0.089263|3.534178|2.773853|2.406784|2.852501|0.053042|2.125044|2.497799|2.532768|2.174981|1.917046|1.896029|6.480250|4.031888|0.092669|5.714861|5.664665|4.950838|5.638286|8.878063|17.754891|8.981518|7.154728|13.517515|6.739905|0.060354|0.053954|0.055753|0.073869|0.056510|0.066135|0.057868|0.074804|0.107211|0.099674|0.065662|0.079880|0.059247|0.048629|0.047891|0.104660|0.107492|0.123872|0.213249|0.500000| |3.106311|3.242568|2.696825|3.133934|0.082728|2.576947|4.545006|4.034502|5.112752|4.585307|8.385628|4.909652|0.144043|3.558699|3.109776|2.703190|3.324929|0.062110|2.553215|2.972499|3.066878|2.684782|2.366114|2.313692|8.306123|9.984683|0.227422|10.843008|5.975682|4.749824|3.724483|3.455199|3.846634|5.015292|4.920051|6.808447|35.716655|0.095191|0.073911|0.085447|0.106852|0.066297|0.073984|0.073764|0.096148|0.095841|0.088325|0.071610|0.093972|0.072935|0.059919|0.058029|0.165711|0.129132|0.089637|0.081320|0.093887|0.500000| 1513.666287 -10438.904802 4180.041279 -201.961798 -4947.159034 3431.560597 -1515.598437 2.001276 408A400000000028 44E6AA3EDA53DED9 44687B6789890AA3 41CC28AC4F800000 404A800000000000 434F8D84B3EC7F6D