Version2.2 2021-02-23T16:06:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(c(c1)NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc4ccco4)CCC3)OC C06552866 RHF 6-31G(d) (6D,7F) COc1ccc(c(c1)NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc4ccco4)CCC3)OC C01[X(C23H26N3O5S1)] 168 C1 536 COc1ccc(c(c1)NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCC2)OC COc1ccc(c(c1)NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCC2)OC COc1ccc(OC)c(NC(=O)c2c3CCCc3sc2NC(=O)C[NH2+]Cc4occc4)c1 InChIKey=HFLPYINSTNSLOA-UHFFFAOYSA-O InChI=1S/C23H25N3O5S/c1-29-14-8-9-18(30-2)17(11-14)25-22(28)21-16-6-3-7-19(16)32-23(21)26-20(27)13-24-12-15-5-4-10-31-15/h4-5,8-11,24H,3,6-7,12-13H2,1-2H3,(H,25,28)(H,26,27)/p+1 InChI=1/C23H25N3O5S/c1-29-14-8-9-18(30-2)17(11-14)25-22(28)21-16-6-3-7-19(16)32-23(21)26-20(27)13-24-12-15-5-4-10-31-15/h4-5,8-11,24H,3,6-7,12-13H2,1-2H3,(H,25,28)(H,26,27)/p+1/fC23H26N3O5S/h24-26H/q+1 COc1ccc(c(c1)NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc4ccco4)CCC3)OC C01[X(C23H26N3O5S1)] 168 C01 536 COc1ccc(c(c1)NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCC2)OC CO[C]1[CH][CH][C]([CH][C]1N[C]([O])[C]1=[C](SC2=[C]1CCC2)[NH][C](=O)C[NH2]CC1=[CH][CH]=CO1)OC CO[C]1[CH][CH][C](OC)[C]([CH]1)N[C]([O])c2c(NC(=O)C[NH2]Cc3occc3)sc4CCCc24 InChIKey=TUKUYFALLMTGEO-UHFFFAOYSA-N InChI=1S/C23H26N3O5S/c1-29-14-8-9-18(30-2)17(11-14)25-22(28)21-16-6-3-7-19(16)32-23(21)26-20(27)13-24-12-15-5-4-10-31-15/h4-5,8-11H,3,6-7,12-13,24H2,1-2H3,(H,25,28)(H,26,27) InChI=1/C23H26N3O5S/c1-29-14-8-9-18(30-2)17(11-14)25-22(28)21-16-6-3-7-19(16)32-23(21)26-20(27)13-24-12-15-5-4-10-31-15/h4-5,8-11H,3,6-7,12-13,24H2,1-2H3,(H,25,28)(H,26,27)/f/h25-26H 3225.4298959493 -1821.0554728 1-A 24890.4446 120 416 536 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.06652 -20.75944 -20.68215 -20.66255 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87.5621 101.8069 127.6747 138.2586 142.3632 146.9780 167.2492 170.7579 199.4955 205.6159 223.9077 243.8235 260.7764 263.4445 288.5331 296.5170 306.1810 322.0554 352.1563 364.9542 372.0936 384.3328 409.8909 432.3637 440.1310 459.1378 485.5127 507.2220 562.7125 579.6858 597.8338 617.3836 620.0926 640.5972 651.3536 661.3025 677.1246 695.9809 698.8816 706.7065 730.5311 776.1561 784.8198 794.6307 808.8679 821.8339 846.3428 874.5336 880.1982 883.1650 884.6683 897.8221 918.9123 920.0453 968.4030 976.2355 982.6613 990.9061 1004.6347 1009.5019 1012.0012 1037.8897 1043.1031 1043.5753 1044.9587 1069.4275 1096.7490 1104.2580 1107.8529 1125.4679 1134.1438 1151.3167 1154.7636 1164.3881 1195.1966 1207.8947 1232.3837 1259.4901 1275.5919 1279.2229 1284.2246 1289.3816 1293.3856 1293.8810 1299.0748 1325.8526 1335.0260 1346.7369 1352.2233 1356.5589 1362.6200 1373.3452 1393.5402 1412.3793 1417.4834 1437.7578 1452.1133 1456.2972 1466.0984 1477.3877 1483.0114 1489.7740 1521.1778 1537.9346 1553.6349 1557.4553 1594.2115 1609.9275 1619.0252 1624.8501 1628.6476 1632.2598 1635.6707 1637.3057 1644.5849 1648.4183 1650.3287 1659.5481 1661.0164 1662.6596 1674.7102 1696.2516 1738.5111 1763.1057 1785.5742 1807.3347 1825.8964 1835.9090 1839.4286 1875.8260 1938.7358 3202.3701 3210.2583 3216.3176 3219.4663 3240.2697 3256.3560 3263.2849 3270.8478 3274.0015 3275.5427 3288.6541 3293.8824 3332.0119 3333.7996 3339.8725 3346.3943 3402.2736 3419.1810 3443.6397 3461.3977 3482.2002 3494.6655 3597.0140 3634.0800 3698.5734 3916.0781 5.0976 5.2029 4.1349 5.4480 5.8670 4.8860 3.7750 5.1243 4.2296 4.8601 3.6374 5.7617 4.0839 2.8515 4.0005 3.9226 2.2068 4.7043 3.9719 4.6559 3.8705 3.7320 3.7049 4.5621 1.0868 1.2159 4.3726 5.1275 4.2435 3.1288 5.7028 5.5486 4.2370 6.4306 12.1282 5.4611 4.8037 6.7756 3.0548 5.6907 6.4727 4.3039 5.3132 5.3050 3.7500 2.8003 3.4851 2.4093 3.4941 2.1196 3.6312 2.1874 6.0854 4.4163 4.5116 5.3703 4.5152 2.4424 1.9333 1.3565 1.4310 2.2289 3.9121 2.8234 1.5182 6.3107 2.4615 1.3504 1.8346 2.1848 3.4041 1.4474 1.4277 1.3469 3.7897 3.5263 4.0984 2.2398 2.5436 1.8791 4.4094 3.5385 3.9346 2.7426 1.8022 3.4577 2.4347 2.9036 3.5204 1.5542 3.2609 1.2870 1.3066 1.2632 1.2673 2.0724 1.5631 2.0396 1.5517 1.5099 2.5988 1.2096 2.0237 1.8760 2.4584 1.7577 1.6206 1.5457 1.3909 1.3607 1.6604 2.4147 1.9503 1.2190 3.8632 1.9470 1.8636 1.6071 2.4515 2.1416 1.1841 1.4902 1.1416 1.2795 1.1916 1.0984 1.0472 1.0475 1.0924 1.0644 1.1266 2.0987 4.3025 2.7029 4.0835 4.3371 4.0595 5.3003 4.7831 1.1057 6.0425 9.2260 1.0669 1.0343 1.0657 1.0328 1.0758 1.0940 1.0926 1.0627 1.1077 1.0629 1.1083 1.1071 1.1021 1.1038 1.1099 1.1090 1.0896 1.0947 1.0984 1.0968 1.0923 1.1073 1.0651 1.0826 1.0865 1.0773 0.0002 0.0007 0.0013 0.0021 0.0047 0.0070 0.0076 0.0105 0.0105 0.0164 0.0138 0.0260 0.0249 0.0274 0.0451 0.0468 0.0281 0.0775 0.0682 0.1092 0.0964 0.1102 0.1298 0.1828 0.0444 0.0596 0.2265 0.2832 0.2593 0.2286 0.4475 0.4526 0.3687 0.6366 1.3358 0.6233 0.5966 0.9410 0.4631 1.0617 1.2815 0.9063 1.1932 1.2018 0.9067 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4.6113 0.9582 5.6842 0.7309 11.1022 0.0367 1.7953 0.1311 1.4852 2.2421 35.2775 5.8293 2.7501 15.7121 3.4090 10.1958 0.1822 88.0334 10.7902 2.3390 23.2610 7.1154 8.3619 9.3222 1.0785 11.1876 11.7217 22.0985 12.7696 12.1160 35.8280 5.4238 0.6946 37.0287 10.2864 0.8086 17.4529 0.0363 3.0823 34.3149 45.6104 34.1045 68.3115 9.2643 7.2746 43.9074 12.9730 0.5227 12.1017 2.2266 23.3633 11.5154 40.4344 1.1289 5.4328 50.4202 4.7930 107.5515 1.6646 2.3901 29.7710 3.5736 2.1149 67.7255 85.1475 8.7858 94.0659 19.7755 39.4129 14.1992 10.1933 13.0970 1.3763 6.5907 2.3927 4.6004 41.1882 58.1488 56.0120 9.5698 8.2604 12.3463 3.0699 260.2765 8.1383 406.3848 104.9634 179.7497 73.3707 57.2697 144.9222 22.7857 1.9650 7.3020 48.1518 53.0554 25.1808 1.6557 738.6998 67.3717 75.2214 26.7652 32.9594 9.0227 36.3254 22.6038 0.4130 4.5803 5.1568 63.7610 27.5980 16.1494 144.1147 35.2153 1502.8009 271.8701 591.6595 45.1871 4.2406 22.4551 48.7636 122.1256 391.0134 42.7540 50.3719 39.2727 50.6805 20.9947 23.8578 37.7221 2.9452 51.2167 5.6148 39.5456 40.8201 42.2820 27.5144 0.2295 1.0158 10.2693 7.4627 0.9790 1.1538 5.1011 0.2446 110.2890 466.3088 97.4348 108.8805 1.7418 0.4533 4.7653 0.8977 0.6285 1.1418 0.6483 0.3529 1.3527 1.0404 0.7193 1.2834 0.1649 2.3804 1.0134 3.0456 0.5837 0.6433 0.2068 1.4352 1.0532 0.9753 2.1564 1.9086 0.5936 0.0162 0.5540 0.8749 0.6017 0.2661 1.0107 3.0857 2.0588 1.9023 1.6601 2.5165 4.4651 2.3896 0.9625 4.6505 11.0077 2.0010 4.9152 4.8113 3.7416 0.9420 4.5535 2.3968 1.3593 1.1182 4.0414 3.6397 3.7033 2.8315 0.5839 2.0317 0.7429 3.5100 4.0231 0.9805 2.8659 3.6002 14.9594 30.0015 3.0230 8.2936 6.5982 1.7246 1.3994 15.0871 0.8903 3.5400 2.3065 1.7166 7.8297 3.8471 3.3172 10.4615 33.5499 8.0626 4.8069 3.3692 2.7666 14.1374 2.1891 5.2419 8.6870 31.5643 18.8570 15.6731 33.5379 2.0004 16.3791 3.8214 5.5650 1.9985 0.2463 6.5856 14.0608 11.6401 6.6119 11.6462 5.0626 2.6076 56.1603 32.4750 3.3960 14.7115 34.6012 43.7899 27.8023 111.7617 44.6147 8.6601 80.8983 32.7704 110.0788 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1 1 6 6 6 6 6 8 6 6 6 8 6 1 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 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 11116.2860 34751.6929 45044.4873 0.99999 -0.00396 0.00215 0.00396 0.99999 -0.00293 -0.00214 0.00294 0.99999 1 0.00779 0.00249 0.00192 0.16235 0.05193 0.04007 12.55 21.20 32.71 36.44 53.06 71.16 84.04 84.87 93.50 108.91 115.40 125.98 146.48 183.70 198.92 204.83 211.47 240.63 245.68 287.03 295.84 322.15 350.81 375.20 379.04 415.13 426.62 440.53 463.37 506.67 525.09 535.36 552.97 589.74 622.07 633.25 660.60 698.54 729.78 809.62 834.04 860.15 888.28 892.18 921.68 937.15 951.47 974.23 1001.36 1005.53 1016.79 1051.07 1116.72 1129.18 1143.30 1163.78 1182.44 1217.70 1258.26 1266.41 1270.68 1272.84 1291.77 1322.11 1323.74 1393.32 1404.59 1413.83 1425.69 1445.45 1452.45 1456.04 1493.29 1500.79 1501.47 1503.46 1538.67 1577.98 1588.78 1593.95 1619.30 1631.78 1656.49 1661.45 1675.29 1719.62 1737.89 1773.13 1812.13 1835.29 1840.52 1847.71 1855.13 1860.89 1861.61 1869.08 1907.61 1920.80 1937.65 1945.55 1951.79 1960.51 1975.94 2004.99 2032.10 2039.44 2068.61 2089.27 2095.29 2109.39 2125.63 2133.72 2143.45 2188.64 2212.74 2235.33 2240.83 2293.71 2316.33 2329.42 2337.80 2343.26 2348.46 2353.37 2355.72 2366.19 2371.71 2374.45 2387.72 2389.83 2392.20 2409.53 2440.53 2501.33 2536.72 2569.04 2600.35 2627.06 2641.46 2646.53 2698.90 2789.41 4607.50 4618.85 4627.56 4632.09 4662.03 4685.17 4695.14 4706.02 4710.56 4712.78 4731.64 4739.16 4794.02 4796.59 4805.33 4814.72 4895.11 4919.44 4954.63 4980.18 5010.11 5028.04 5175.30 5228.63 5321.42 5634.36 0.509789 0.538523 0.539468 0.444189 -1820.545683 -1820.516949 -1820.516005 -1820.611284 3.195673D-04 MUNgauss RevisionA2.1 retrievium 23-Feb-2021 DUDE COc1ccc(c(c1)NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc4ccco4)CCC3)OC C06552866 RHF 6-31G(d) (6D,10F) C1 456.159318 |X|Y|Z| 136.048502 77.390561 19.794700 59.289378 26 6 7 8 16 21 3 1 1 |36.858105| |13.602568|73.516695| |8.022376|25.106884|36.858105| |6.732487|14.009706|13.850267|36.858105| |4.509152|9.237768|7.953315|13.635446|36.858105| |3.791671|8.212507|6.856148|7.912563|13.900389|36.858105| |3.990288|9.440168|7.926050|6.853712|7.940408|13.530774|36.858105| |5.267437|14.632308|13.624481|7.925848|6.888698|7.911254|13.860243|36.858105| |3.141263|7.076798|5.104526|4.548849|5.224107|8.003671|13.494606|7.709181|53.358707| |2.886287|6.479235|4.295362|3.675619|3.917533|5.184591|7.672317|6.260761|19.352056|36.858105| |3.108002|7.161642|4.499285|3.628559|3.626392|4.461368|6.577391|6.618919|11.514468|15.633280|73.516695| |2.354467|5.040325|3.229719|2.908958|3.149577|4.013956|5.041949|4.217983|10.771784|12.765523|14.370338|36.858105| |2.110246|4.394249|2.834475|2.672378|2.991855|3.810172|4.340020|3.519565|8.652779|7.185116|9.105214|13.155546|36.858105| |1.851669|3.786180|2.378329|2.252321|2.474491|3.009706|3.338160|2.854087|6.026223|5.059507|7.250278|8.195888|14.250814|36.858105| |1.800008|3.684459|2.251388|2.082819|2.213288|2.618584|2.988342|2.695241|5.195720|4.730476|7.467022|7.327436|7.419894|11.035827|388.023441| |2.137093|4.505727|2.773650|2.484336|2.611561|3.158405|3.847147|3.482146|7.087994|7.656905|12.016120|13.961153|8.257540|7.795220|78.128917|36.858105| |2.205360|4.673575|2.785284|2.430989|2.471458|2.899811|3.586268|3.473078|6.118749|6.550538|12.963624|7.828406|5.219495|4.984464|49.143641|13.625406|53.358707| |1.977062|4.096552|2.384407|2.104353|2.118282|2.417558|2.885688|2.854634|4.662894|4.503675|8.877387|5.177570|4.016647|4.121862|42.754833|7.804915|19.539799|36.858105| |1.763088|3.592017|2.095731|1.886334|1.916188|2.173882|2.522838|2.459163|4.050448|3.731151|6.946654|4.467155|3.774393|4.142857|46.301507|6.553374|11.427436|15.830660|73.516695| |2.029441|4.186829|2.362313|2.056316|2.019742|2.250129|2.682900|2.772058|4.120443|3.826892|8.040318|3.952703|3.148820|3.130997|28.870552|5.062885|10.776337|12.444085|14.406363|36.858105| |1.778245|3.585119|2.011724|1.784485|1.756684|1.930593|2.236848|2.296053|3.379531|2.997925|5.997502|3.152861|2.662796|2.729062|25.045250|3.926211|7.161349|7.860584|13.134877|12.816502|53.358707| |1.757122|3.531368|1.983838|1.766421|1.740861|1.909648|2.201530|2.254820|3.314414|2.911296|5.771977|3.054263|2.599424|2.663745|24.170456|3.753392|6.640904|6.826399|11.731730|9.247664|25.658753|0.500000| |1.670365|3.353356|1.901168|1.704546|1.695232|1.871351|2.148894|2.169347|3.283700|2.902679|5.637363|3.161224|2.726166|2.871259|27.243687|4.024528|7.039090|8.059254|16.538311|9.402412|25.514004|0.330330|0.500000| |1.702524|3.384590|1.866344|1.658704|1.615102|1.746056|2.000427|2.085195|2.945781|2.539943|5.088236|2.597394|2.240477|2.275017|19.893893|3.073747|5.287629|5.036788|8.537895|7.503979|17.219826|0.256856|0.252234|36.858105| |1.521138|2.982356|1.648271|1.485437|1.452867|1.560877|1.758466|1.817229|2.575645|2.174848|4.247324|2.246485|1.991822|2.048789|17.701846|2.620580|4.280732|3.941109|7.160905|5.004726|10.628093|0.206824|0.196362|12.856264|36.858105| |1.384447|2.689221|1.488876|1.354653|1.329306|1.422069|1.584030|1.627562|2.312398|1.926560|3.704037|2.002589|1.810990|1.878452|16.031019|2.308645|3.647046|3.264891|6.103937|3.859613|7.270356|0.140606|0.149616|7.335257|14.225207|36.858105| |1.300198|2.508200|1.389939|1.273407|1.251661|1.333519|1.472788|1.508669|2.139914|1.762674|3.356959|1.831145|1.674824|1.739943|14.647284|2.086044|3.229042|2.822192|5.304121|3.215511|5.799908|0.121287|0.118924|5.162352|8.597826|13.236548|36.858105| |1.363980|2.638722|1.461276|1.334745|1.309978|1.396787|1.547777|1.589154|2.247842|1.856101|3.551342|1.918901|1.742101|1.800184|15.170029|2.187635|3.415527|2.987123|5.541972|3.441057|6.310357|0.142092|0.124004|5.375919|8.787114|8.591572|14.230389|36.858105| |1.506889|2.945252|1.628171|1.471747|1.439707|1.542969|1.731218|1.787815|2.525623|2.116845|4.114927|2.177888|1.938531|1.989039|17.010200|2.516365|4.059575|3.649090|6.609987|4.465409|8.927246|0.210583|0.161791|7.959329|14.103660|8.605757|8.614543|14.129133|73.516695| |1.676899|3.365112|2.111506|2.050657|2.278830|2.720159|2.868778|2.456048|4.893361|3.784450|5.599233|5.152123|7.971002|12.685979|45.904656|4.830218|4.878529|3.152372|5.767216|2.528409|3.106488|0.062319|0.066825|1.953921|1.797478|1.675354|1.570442|1.615431|3.118291|36.858105| |1.783152|3.576981|2.290114|2.268962|2.594931|3.156486|3.212682|2.656738|5.475203|3.925501|5.639990|4.972723|7.965455|8.094991|33.343347|4.190982|4.369325|2.765520|4.879000|2.297949|2.792658|0.055937|0.058994|1.788252|1.638074|1.526919|1.432225|1.473562|2.843553|12.287648|36.858105| |2.079899|4.263975|2.805639|2.759624|3.227327|4.173606|4.336602|3.376409|8.081200|5.475215|7.235552|6.927857|12.579383|8.120595|34.376636|5.003405|5.070659|3.049076|5.167477|2.533640|2.995818|0.060073|0.062240|1.905905|1.720628|1.583092|1.478850|1.533609|2.993885|7.637772|12.278473|36.858105| |2.987545|6.182985|4.606450|5.167106|7.852943|14.004544|8.147864|5.281569|10.015810|4.876198|7.050774|4.149393|4.287384|3.334792|19.590258|3.204255|3.843882|2.361694|3.845784|2.147642|2.535619|0.051267|0.050796|1.673585|1.508621|1.382650|1.300641|1.358699|2.652321|3.105472|3.799387|5.210658|73.516695| |2.697266|5.312332|3.784422|4.492714|6.698597|7.982755|5.232954|3.976171|6.500905|3.597152|5.456889|3.244591|3.454638|2.845762|16.830452|2.635692|3.200598|2.023031|3.350278|1.856810|2.235009|0.045319|0.044955|1.491014|1.359923|1.256940|1.190034|1.239657|2.397313|2.777640|3.420140|4.278611|24.130381|36.858105| |17.649694|16.992642|5.883344|4.907517|3.615259|3.184693|3.418383|4.425250|3.827163|2.666462|5.199808|2.207006|1.969166|1.749141|12.273192|2.041735|2.913249|1.945404|3.083114|2.031940|2.436608|0.049090|0.046444|1.734942|1.549517|1.409626|1.323155|1.388018|2.727666|1.582041|1.662987|1.917787|4.613065|2.353345|0.500000| |17.561985|16.438199|7.054450|6.738667|4.574672|3.743828|3.798625|4.773650|4.088446|2.729100|5.125708|2.254291|2.049790|1.800800|12.338232|2.038016|2.831101|1.867342|2.981590|1.902245|2.277245|0.045690|0.043975|1.605765|1.438966|1.318752|1.237154|1.289765|2.520768|1.644725|1.764302|2.046153|5.292114|2.734918|0.300007|0.500000| |17.561154|16.437013|7.043206|6.735039|4.570027|3.738504|3.792290|4.764347|4.081529|2.727467|5.132543|2.251958|2.040577|1.795667|12.351248|2.042680|2.847274|1.881732|3.003902|1.919618|2.311427|0.047000|0.044400|1.620535|1.460664|1.331089|1.259056|1.325758|2.593145|1.638128|1.743620|2.029286|5.285179|2.732785|0.300010|0.298837|0.500000| |7.423051|12.443686|8.889405|17.774322|8.940934|5.662102|4.946791|5.624018|4.931107|3.049805|5.409006|2.500001|2.326532|2.001109|13.258467|2.182087|2.926757|1.894770|3.045556|1.868902|2.236502|0.045251|0.043614|1.543355|1.392200|1.276006|1.204225|1.260304|2.456586|1.845516|2.030201|2.408314|7.441796|3.912175|0.145383|0.223013|0.223443|0.500000| |3.916255|7.463191|5.675247|8.947810|17.765064|8.957185|5.637262|4.964065|5.754408|3.293489|5.403660|2.774258|2.714723|2.287344|14.455636|2.335243|2.992867|1.912120|3.114703|1.821474|2.185442|0.044288|0.043258|1.483362|1.346268|1.239633|1.172610|1.224507|2.375833|2.155740|2.474541|2.998731|12.501324|7.446379|0.089089|0.113213|0.113144|0.218281|0.500000| |4.893915|13.586410|8.955316|5.671693|4.970950|5.627817|8.935774|17.852596|9.441247|6.763080|15.117089|4.434841|3.518679|2.895524|20.181913|3.789729|5.400759|3.228874|4.819420|3.203439|3.519061|0.070098|0.066957|2.341029|2.005629|1.777163|1.634197|1.725883|3.492170|2.441483|2.571148|3.218430|7.579213|3.321104|0.121892|0.120504|0.120271|0.124270|0.107898|0.500000| |2.804217|6.064028|4.307985|4.122788|5.020812|7.851802|9.434084|5.780109|26.106647|9.488347|10.865317|7.588869|7.395073|4.877926|27.592319|4.928769|5.499239|3.159032|5.027977|2.747369|3.138424|0.063050|0.063067|2.011921|1.782487|1.614337|1.502243|1.573241|3.113988|4.075180|4.844226|7.986831|16.269804|5.608744|0.069844|0.075593|0.075478|0.093441|0.118279|0.142727|0.500000| |2.484499|5.390562|3.200134|2.713396|2.714278|3.188869|4.105318|4.110626|6.910040|7.825212|18.961806|7.536995|4.846973|4.328292|37.472069|9.522143|25.706722|9.325310|10.723081|7.487920|6.570568|0.125189|0.125008|3.758980|3.006850|2.551793|2.264368|2.404391|5.094356|3.229117|3.024084|3.612954|5.348778|2.466839|0.066957|0.064486|0.064857|0.065996|0.066010|0.136677|0.120084|0.500000| |2.053365|4.230741|2.366994|2.052916|2.003762|2.219208|2.644964|2.762345|4.014140|3.688460|7.814368|3.735443|3.004832|2.964040|26.544400|4.611275|9.191088|8.854376|11.527356|17.606560|12.369045|0.181460|0.209515|7.264230|4.709968|3.774795|3.066075|3.168944|7.101868|2.418819|2.228975|2.449729|3.744604|1.824561|0.057390|0.053838|0.053361|0.051950|0.050178|0.089120|0.074101|0.187786|0.500000| |2.208497|4.599428|2.566969|2.201472|2.136292|2.368738|2.858198|3.021107|4.313231|3.994982|8.768877|3.902482|3.065210|2.961793|26.051157|4.733055|9.787230|8.677311|10.693722|17.637089|12.297231|0.230259|0.183249|6.442763|4.537119|3.493946|3.013069|3.313034|7.665881|2.408172|2.228352|2.500390|3.955851|1.914284|0.061685|0.056738|0.058077|0.055455|0.053146|0.098912|0.078567|0.216323|0.300615|0.500000| |1.681250|3.337851|1.841270|1.638627|1.596609|1.725566|1.974017|2.055255|2.907669|2.502909|4.995427|2.566433|2.225145|2.263338|19.722547|3.026553|5.143554|4.816311|8.221074|6.809067|12.337307|0.180913|0.220684|17.650602|8.955514|6.791740|4.606058|4.435320|10.226908|1.948524|1.788446|1.896568|2.943682|1.476652|0.047590|0.044370|0.044180|0.042377|0.040768|0.064000|0.055241|0.101524|0.213771|0.155011|0.500000| |1.814218|3.609832|1.964155|1.729956|1.666127|1.789188|2.059687|2.183575|2.989995|2.566122|5.241226|2.550445|2.179789|2.173118|18.553361|2.949640|5.094407|4.586195|7.372989|7.054025|12.404790|0.218157|0.179524|17.608013|8.912382|5.756298|4.481142|4.866804|12.620113|1.868232|1.733428|1.868607|3.014392|1.508010|0.051778|0.047191|0.047861|0.044784|0.042355|0.068765|0.056198|0.104857|0.192240|0.193915|0.299798|0.500000| |1.351194|2.619493|1.451079|1.323049|1.299459|1.389094|1.543566|1.583696|2.252558|1.871571|3.584801|1.949347|1.772809|1.842670|15.655796|2.238986|3.503888|3.104778|5.821076|3.607214|6.415321|0.118855|0.136094|6.308152|8.818967|17.790623|8.448425|5.851576|10.426637|1.650464|1.507225|1.554609|2.404684|1.231920|0.038209|0.035939|0.035965|0.034653|0.033709|0.047929|0.043768|0.068091|0.101827|0.089417|0.187268|0.139568|0.500000| |1.212399|2.324871|1.289673|1.188830|1.170664|1.243121|1.362894|1.391892|1.973949|1.611538|3.044047|1.676057|1.550150|1.614594|13.433117|1.891272|2.877097|2.469266|4.660566|2.741645|4.723518|0.098152|0.098333|4.045696|5.856685|8.453573|17.815461|8.830841|10.440601|1.473617|1.346626|1.380988|2.162598|1.119522|0.034256|0.032156|0.032675|0.031337|0.030594|0.041608|0.038685|0.056101|0.073414|0.071694|0.104722|0.100187|0.193475|0.500000| |1.329028|2.560293|1.418692|1.301362|1.278109|1.358812|1.497677|1.535513|2.166441|1.774555|3.376300|1.829650|1.671303|1.724039|14.357331|2.064882|3.181431|2.725584|5.036712|3.067475|5.364362|0.123985|0.105263|4.302850|6.038251|5.812151|8.617295|17.841376|16.478503|1.557745|1.424296|1.481721|2.352754|1.212152|0.037545|0.034851|0.036081|0.034217|0.033276|0.046080|0.042245|0.062467|0.077882|0.083905|0.100478|0.113157|0.123063|0.195147|0.500000| |1.565384|3.117407|1.933799|1.877600|2.063771|2.417377|2.542443|2.222090|4.218585|3.283139|5.016462|4.306073|5.927445|8.759777|41.744807|4.248547|4.479330|2.989258|5.587722|2.419338|3.013918|0.059976|0.065562|1.913134|1.770301|1.667230|1.559718|1.589257|3.047513|17.576198|8.658973|5.655057|4.825280|2.469066|0.041255|0.042836|0.042342|0.047338|0.054517|0.061729|0.095162|0.082019|0.065011|0.063185|0.053465|0.050429|0.045961|0.040837|0.042424|0.500000| |1.606270|3.203286|2.001212|1.952708|2.165382|2.555628|2.668359|2.303835|4.455945|3.416784|5.147930|4.477352|6.297960|8.880473|40.603861|4.305924|4.507651|2.975602|5.509593|2.409184|3.011343|0.061275|0.064745|1.892973|1.762285|1.644194|1.557422|1.610857|3.092147|17.537472|8.651560|6.194894|5.176477|2.648258|0.042164|0.043579|0.043924|0.049095|0.057276|0.063526|0.102325|0.083014|0.063197|0.064224|0.051938|0.050303|0.044726|0.040685|0.043452|0.302589|0.500000| |1.746650|3.487153|2.221209|2.204568|2.506939|3.007153|3.048204|2.554052|5.070688|3.636460|5.333018|4.453217|6.483428|6.567131|30.149428|3.831671|4.104197|2.625438|4.632680|2.208517|2.686051|0.053285|0.056851|1.738945|1.590690|1.491728|1.392995|1.422543|2.738609|8.812245|17.583955|8.811331|6.340802|3.256621|0.045328|0.048419|0.047135|0.055072|0.066682|0.068742|0.121545|0.079413|0.060438|0.059099|0.048778|0.046766|0.041191|0.036473|0.038051|0.225457|0.175627|0.500000| |1.701351|3.374104|2.158344|2.174070|2.505012|2.995801|2.951750|2.454786|4.832608|3.373825|4.956207|4.040184|5.796940|5.856719|27.391241|3.481932|3.778752|2.437615|4.319420|2.064842|2.544160|0.051364|0.053567|1.643481|1.520371|1.423134|1.345869|1.386723|2.657675|8.657682|17.598283|8.657721|6.519422|3.460524|0.044012|0.046838|0.046603|0.054523|0.067567|0.065332|0.118415|0.073374|0.055482|0.056059|0.045475|0.044397|0.038955|0.035300|0.037444|0.189410|0.219836|0.303019|0.500000| |2.120474|4.332681|2.879536|2.877682|3.432277|4.482572|4.484034|3.432801|8.088850|5.167880|6.927151|6.002775|8.830101|6.357436|30.054162|4.453479|4.697065|2.854142|4.825066|2.410143|2.873670|0.058368|0.059226|1.832484|1.665177|1.528769|1.439845|1.503462|2.929323|6.191520|8.670144|17.517882|10.442809|4.839975|0.053993|0.057598|0.058225|0.069650|0.089256|0.089261|0.230236|0.094282|0.064028|0.067134|0.050180|0.050235|0.041459|0.037376|0.040622|0.129896|0.159394|0.176013|0.220869|0.500000| |2.206411|4.532519|3.028943|3.014329|3.597056|4.749766|4.801756|3.640921|8.730299|5.460890|7.258951|6.122497|8.711303|6.005819|29.047266|4.429824|4.714669|2.842330|4.753859|2.421881|2.848498|0.056697|0.058779|1.838183|1.652407|1.523957|1.418843|1.465513|2.860008|5.665122|8.703366|17.567702|10.902601|4.908886|0.056055|0.061000|0.059365|0.072514|0.092638|0.094362|0.247421|0.096019|0.066165|0.066664|0.051170|0.050364|0.041759|0.036853|0.039255|0.130000|0.130079|0.227005|0.190425|0.302544|0.500000| |2.735822|5.296295|3.740355|4.564425|6.711467|7.039773|4.753199|3.791050|5.740919|3.273151|5.090975|2.941960|3.072156|2.583493|15.622422|2.441318|3.011227|1.922007|3.186387|1.780558|2.158312|0.044056|0.043242|1.444357|1.323743|1.222755|1.163759|1.216963|2.348779|2.520167|3.001658|3.657255|16.449054|17.577047|0.066063|0.076332|0.078907|0.113224|0.223745|0.088102|0.131686|0.064582|0.048339|0.051369|0.039525|0.040737|0.033178|0.030435|0.033199|0.062425|0.068044|0.078520|0.085292|0.116836|0.110729|0.500000| |2.736033|5.293528|3.738077|4.562890|6.710646|7.033050|4.747439|3.787724|5.735612|3.265569|5.072038|2.937861|3.092636|2.591069|15.558786|2.427240|2.985891|1.903297|3.154332|1.764041|2.127574|0.042916|0.042790|1.432235|1.306147|1.211957|1.145315|1.187808|2.292239|2.536845|3.099424|3.741282|16.448235|17.577237|0.066067|0.078976|0.076312|0.113219|0.224080|0.088031|0.131563|0.064085|0.048622|0.050363|0.039616|0.040278|0.033125|0.029988|0.032203|0.063871|0.066596|0.084627|0.086438|0.111448|0.121886|0.298676|0.500000| |2.353063|4.612806|3.178465|3.603683|4.889931|5.859050|4.397107|3.405164|5.948137|3.418233|5.123843|3.240519|3.618781|3.015394|17.350873|2.642094|3.151669|2.001643|3.354182|1.815575|2.199993|0.044636|0.044587|1.462186|1.340110|1.243149|1.179030|1.225867|2.362175|3.042345|3.887129|4.757187|16.962478|17.650135|0.058061|0.066040|0.065989|0.089005|0.145692|0.081865|0.148101|0.066351|0.049411|0.051534|0.040253|0.040804|0.033877|0.030872|0.033311|0.074622|0.080860|0.101881|0.113040|0.153216|0.150350|0.299915|0.299926|0.500000| 1818.993478 -10704.888363 4054.380113 -214.970869 -5046.485641 3225.430128 -1821.055513 2.001134 40B9800000000012 44C92855177F0CED 444AB92ED6099D22 423897CA64400002 37DA22391F5F0C00 443831CFB829652D