Version2.1 2021-01-15T15:09:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)c1c(c2c(=O)[nH]c(nc2s1)C[NH+](C[C@H](COc3ccccc3C)O)C(C)C)C C36207225 RHF 6-31G(d) (6D,7F) CCOC(=O)c1c(c2c(=O)[nH]c(nc2s1)C[NH+](C[C@H](COc3ccccc3C)O)C(C)C)C C01[X(C24H32N3O5S1)] 189 C1 563 CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)C[NH+](C(C)C)C[C@H](COc1ccccc1C)O CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)C[NH+](C(C)C)C[C@H](COc1ccccc1C)O CCOC(=O)c1sc2N=C(C[NH+](C[C@@H](O)COc3ccccc3C)C(C)C)NC(=O)c2c1C InChIKey=OCVZGTDDBQCILP-QGZVFWFLSA-O InChI=1S/C24H31N3O5S/c1-6-31-24(30)21-16(5)20-22(29)25-19(26-23(20)33-21)12-27(14(2)3)11-17(28)13-32-18-10-8-7-9-15(18)4/h7-10,14,17,28H,6,11-13H2,1-5H3,(H,25,26,29)/p+1/t17-/m1/s1 InChI=1/C24H31N3O5S/c1-6-31-24(30)21-16(5)20-22(29)25-19(26-23(20)33-21)12-27(14(2)3)11-17(28)13-32-18-10-8-7-9-15(18)4/h7-10,14,17,28H,6,11-13H2,1-5H3,(H,25,26,29)/p+1/t17-/m1/s1/fC24H32N3O5S/h25,27H/q+1 CCOC(=O)c1c(c2c(=O)[nH]c(nc2s1)C[NH+](C[C@H](COc3ccccc3C)O)C(C)C)C C01[X(C24H32N3O5S1)] 189 C01 563 CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)C[NH+](C(C)C)C[C@H](COc1ccccc1C)O CCOC(=O)C1=[C]([C]2[C](S1)N=C(NC2=O)C[NH](C(C)C)C[C@H](CO[C]1[CH][CH][CH][CH][C]1C)O)C CCOC(=O)C1=C(C)[C]2[C](S1)N=C(C[NH](C[C@@H](O)CO[C]3[CH][CH][CH][CH][C]3C)C(C)C)NC2=O InChIKey=JHTOLRCSTBEKOG-QGZVFWFLSA-N InChI=1S/C24H32N3O5S/c1-6-31-24(30)21-16(5)20-22(29)25-19(26-23(20)33-21)12-27(14(2)3)11-17(28)13-32-18-10-8-7-9-15(18)4/h7-10,14,17,27-28H,6,11-13H2,1-5H3,(H,25,26,29)/t17-/m1/s1 InChI=1/C24H32N3O5S/c1-6-31-24(30)21-16(5)20-22(29)25-19(26-23(20)33-21)12-27(14(2)3)11-17(28)13-32-18-10-8-7-9-15(18)4/h7-10,14,17,27-28H,6,11-13H2,1-5H3,(H,25,26,29)/t17-/m1/s1/f/h25H 3564.3289682715 -1862.4816869 1-A 22702.6502 126 437 563 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 8.0297 13.5580 17.0662 32.8078 33.1750 40.8569 50.9914 53.0159 68.9152 75.4820 82.8626 92.0129 94.1507 117.7999 128.3027 134.5406 140.1692 158.2548 162.3120 172.0323 189.5213 200.0685 209.5438 220.6755 227.2631 243.7825 254.5099 265.8800 279.2684 284.4360 291.4409 296.6254 305.7227 309.9758 347.9177 359.7012 383.0889 393.1936 410.8786 423.0111 433.9953 465.8757 482.6252 493.2133 507.8822 514.4425 520.9513 542.1448 560.2000 571.7485 584.3794 601.3112 605.4415 615.5284 629.7844 654.2275 668.3758 690.5674 691.5635 726.8646 772.0006 794.1598 815.8871 838.2318 852.0370 853.5505 859.7623 876.2275 885.1012 904.1980 931.7481 960.9956 966.2139 971.7359 990.4616 1012.6654 1024.5773 1029.2038 1041.7709 1052.3350 1062.7639 1080.5877 1092.0288 1099.4612 1117.6372 1121.6053 1126.6084 1147.2883 1151.7482 1168.0502 1171.4190 1173.5197 1174.8621 1194.0486 1221.4891 1223.3360 1235.2303 1244.7864 1246.3889 1256.7971 1274.5054 1287.9241 1297.2222 1310.6614 1310.8742 1317.5021 1337.3565 1343.0308 1358.2551 1395.7043 1400.2052 1409.3615 1419.1571 1426.3088 1440.5895 1441.3593 1442.2281 1468.2580 1484.2621 1514.5156 1539.5547 1544.0604 1545.5746 1550.4965 1569.8860 1570.8456 1573.4857 1575.8228 1584.7379 1590.6335 1607.2975 1613.1307 1615.2882 1617.4765 1620.4700 1624.4430 1629.4874 1629.7006 1629.7754 1638.2511 1641.0791 1642.0971 1642.5242 1644.1826 1648.7536 1650.3642 1662.6461 1665.2828 1669.5788 1679.0803 1692.7936 1759.2058 1793.0068 1812.4258 1842.0451 1992.1732 2010.7610 3205.6173 3207.1851 3219.2147 3224.2948 3227.1150 3229.6673 3235.9908 3257.2167 3259.7774 3271.2479 3280.1139 3285.9779 3287.6769 3290.3505 3291.3668 3295.0857 3295.7402 3296.6758 3302.9817 3307.3617 3329.4723 3343.2551 3345.3267 3350.0000 3367.2053 3376.4291 3388.0224 3392.2443 3401.5412 3564.3232 3825.4584 4067.3324 5.8616 4.7518 3.8075 5.1719 4.7160 4.4072 5.4826 2.9492 3.4397 3.7494 3.1699 4.1776 4.8589 3.9994 1.1866 2.4028 3.8332 3.5960 1.2830 3.0098 3.6718 3.4001 3.5203 4.0089 2.6316 1.8070 1.1294 3.1546 3.2030 1.5173 3.0078 5.0461 3.7146 3.2341 2.7767 2.9784 6.9340 6.1549 4.1396 3.3805 2.7883 1.0744 6.3805 2.9285 8.4044 3.3312 3.4246 5.4787 3.0122 3.6196 3.8441 3.4875 5.0613 5.3438 5.1549 1.7122 5.6039 4.9594 4.3084 4.8066 2.4453 2.8053 4.9548 4.6145 2.9354 1.4271 4.1024 9.7334 1.2985 4.9293 5.3244 2.3312 1.3639 2.4481 2.9575 2.2210 4.2357 1.2719 1.5565 1.6548 1.3739 6.7234 1.6020 3.4805 1.3242 2.6610 2.7910 2.7864 2.4371 2.5859 1.5204 1.4961 2.6791 3.2882 1.9639 4.6876 2.3821 2.2782 2.0369 1.7301 1.9723 3.1621 1.5412 4.0375 3.1724 2.2235 1.5248 1.6574 1.4963 1.4619 1.7403 1.9938 2.4115 1.0900 1.3379 2.9232 1.6342 1.2118 1.3421 1.3617 3.3362 1.3124 1.3271 1.3219 1.2506 1.3297 1.2975 1.3171 1.4042 1.2376 1.5078 1.7053 1.4677 1.1726 1.1954 1.2290 2.0179 1.0407 1.0500 1.1517 1.0440 1.1167 1.0640 1.2749 1.0762 1.0687 1.1326 1.3031 1.0979 1.7839 3.3048 6.8977 5.6292 5.9531 8.3675 11.7170 10.3478 1.0402 1.0562 1.0359 1.0372 1.0853 1.0402 1.0417 1.1003 1.1088 1.0635 1.0649 1.0662 1.1054 1.1016 1.0985 1.1007 1.1016 1.1019 1.1029 1.1019 1.1114 1.1029 1.1073 1.0921 1.0885 1.0912 1.0991 1.0942 1.0974 1.0769 1.0799 1.0664 0.0002 0.0005 0.0007 0.0033 0.0031 0.0043 0.0084 0.0049 0.0096 0.0126 0.0128 0.0208 0.0254 0.0327 0.0115 0.0256 0.0444 0.0531 0.0199 0.0525 0.0777 0.0802 0.0911 0.1150 0.0801 0.0633 0.0431 0.1314 0.1472 0.0723 0.1505 0.2616 0.2046 0.1831 0.1980 0.2270 0.5996 0.5606 0.4118 0.3564 0.3094 0.1374 0.8756 0.4197 1.2773 0.5194 0.5476 0.9488 0.5570 0.6971 0.7735 0.7430 1.0931 1.1929 1.2046 0.4318 1.4750 1.3935 1.2140 1.4962 0.8587 1.0424 1.9433 1.9103 1.2555 0.6126 1.7867 4.4030 0.5994 2.3744 2.7234 1.2685 0.7502 1.3620 1.7095 1.3419 2.6198 0.7938 0.9953 1.0797 0.9143 4.6255 1.1256 2.4789 0.9746 1.9723 2.0871 2.1609 1.9047 2.0786 1.2292 1.2139 2.1788 2.7622 1.7264 4.1332 2.1414 2.0799 1.8644 1.6101 1.8876 3.0903 1.5281 4.0864 3.2119 2.2740 1.6068 1.7613 1.6264 1.6779 2.0102 2.3333 2.8615 1.3065 1.6358 3.5781 2.0027 1.5391 1.7421 1.8403 4.6589 1.8436 1.8678 1.8724 1.8159 1.9332 1.8927 1.9270 2.0778 1.8449 2.2950 2.6145 2.2563 1.8075 1.8494 1.9107 3.1568 1.6285 1.6433 1.8211 1.6566 1.7741 1.6913 2.0306 1.7236 1.7149 1.8447 2.1291 1.8031 2.9632 5.5797 12.5774 10.6625 11.5217 16.7280 27.3982 24.6500 6.2978 6.4009 6.3250 6.3531 6.6595 6.3926 6.4268 6.8776 6.9420 6.7054 6.7505 6.7832 7.0393 7.0266 7.0112 7.0414 7.0499 7.0556 7.0890 7.1017 7.2590 7.2633 7.3011 7.2211 7.2716 7.3291 7.4334 7.4187 7.4812 8.0608 9.3109 10.3944 0.3119 1.2926 0.6107 0.3064 0.2504 0.0319 0.6186 0.3912 0.8940 0.9298 0.3209 1.2679 4.9444 8.0100 0.6431 1.4838 3.4302 1.3069 0.3995 1.0633 1.3676 2.6395 1.7674 5.5538 1.5671 0.4303 0.1020 0.0236 0.7435 1.3104 2.0407 9.1208 0.3094 1.0558 2.1141 1.7134 15.8917 1.1221 12.4005 5.0280 7.4588 137.3765 6.6973 1.5991 7.4962 0.3874 4.1776 2.9828 7.2773 3.7673 4.0546 0.1361 1.2521 10.1020 5.5079 50.9202 21.8162 8.7268 4.4320 11.6093 32.6424 0.8562 15.1560 16.5550 6.4768 79.1625 27.8688 41.1163 3.9496 14.0836 25.4103 4.6851 0.2694 6.3375 45.1691 28.5657 6.1166 5.2458 7.8020 7.7265 4.5565 15.6288 8.2935 26.9740 0.1841 31.5373 27.7344 28.1119 12.0907 22.8542 1.2955 0.7063 15.2032 6.2154 19.4921 95.6115 21.3646 21.3444 22.9135 36.3039 23.9785 35.8833 5.7373 30.6374 73.8466 13.7673 33.7000 26.2621 53.6214 115.6643 206.0311 60.9049 476.8868 2.0424 66.8709 557.2050 60.5512 45.3485 73.2901 20.8790 18.8091 8.6752 9.9657 9.6958 3.5498 9.7872 21.3088 33.7710 6.6021 27.0196 147.4453 31.9135 74.0290 26.0495 16.8616 38.5705 78.3000 5.8124 10.7061 13.5855 9.0373 1.8362 3.4397 10.0914 11.6661 21.9784 45.1980 77.2392 4.4834 50.2386 49.9488 128.9411 22.9474 22.1675 391.9345 183.6868 949.1922 38.1965 20.9082 17.4725 9.2399 16.4707 5.7154 7.8395 23.1580 53.5446 8.2832 2.5625 2.1133 12.8048 9.4038 43.6468 18.3043 22.8769 14.5536 3.8819 15.2303 38.1711 1.3670 7.4683 16.8771 5.3969 8.5085 0.9985 32.7528 9.5626 159.9993 118.3547 169.9387 2.2688 3.7017 5.0026 2.0716 0.9009 1.7183 1.0307 0.2847 0.2141 0.3335 0.0877 0.4076 0.7684 0.2902 0.3819 0.2116 0.3442 1.0068 0.3815 0.5447 1.9092 2.1980 0.1541 0.1235 0.6279 0.3027 0.0889 0.6039 0.5808 0.3292 1.9323 0.4928 2.8979 1.1912 0.3790 0.4545 1.3585 0.5147 1.3401 2.7123 0.6144 1.4994 3.4471 0.4362 1.4573 0.5924 2.8758 4.3282 0.9869 0.2410 0.4035 0.1605 2.9399 10.6150 9.7550 3.4796 4.3442 0.7046 4.6436 1.8479 2.0075 0.2602 4.9504 14.4444 13.9233 1.1828 1.5148 2.6971 0.8679 0.6084 5.6523 6.8778 3.0273 6.6920 6.1346 6.5332 12.2253 3.3060 3.6113 6.4331 0.5171 4.4549 3.9083 5.2474 0.2787 2.0830 11.5404 11.2718 10.3990 2.3580 2.8818 0.5572 7.1148 9.6219 5.8535 1.9680 10.3329 15.4947 0.8949 4.6987 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1608.03 1613.74 1620.94 1650.69 1657.11 1680.56 1685.41 1688.43 1690.36 1717.97 1757.45 1760.11 1777.22 1790.97 1793.28 1808.25 1833.73 1853.04 1866.41 1885.75 1886.06 1895.59 1924.16 1932.32 1954.23 2008.11 2014.58 2027.76 2041.85 2052.14 2072.69 2073.79 2075.04 2112.50 2135.52 2179.05 2215.08 2221.56 2223.74 2230.82 2258.72 2260.10 2263.89 2267.26 2280.08 2288.57 2312.54 2320.94 2324.04 2327.19 2331.49 2337.21 2344.47 2344.78 2344.88 2357.08 2361.15 2362.61 2363.23 2365.61 2372.19 2374.51 2392.18 2395.97 2402.15 2415.82 2435.55 2531.10 2579.74 2607.68 2650.29 2866.29 2893.04 4612.17 4614.42 4631.73 4639.04 4643.10 4646.77 4655.87 4686.41 4690.09 4706.60 4719.35 4727.79 4730.23 4734.08 4735.54 4740.89 4741.84 4743.18 4752.25 4758.56 4790.37 4810.20 4813.18 4819.90 4844.66 4857.93 4874.61 4880.68 4894.06 5128.27 5503.98 5851.98 0.585251 0.617449 0.618393 0.516517 -1861.896436 -1861.864238 -1861.863294 -1861.965170 3.416938D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE CCOC(=O)c1c(c2c(=O)[nH]c(nc2s1)C[NH+](C[C@H](COc3ccccc3C)O)C(C)C)C C36207225 RHF 6-31G(d) (6D,10F) C1 474.206268 |X|Y|Z| 118.587139 82.876273 42.084866 74.507144 21 6 7 8 16 16 3 1 1 |36.858105| |12.593488|36.858105| |8.022453|13.289645|73.516695| |5.270923|8.084750|25.674825|36.858105| |4.600344|7.139805|15.280967|16.037193|73.516695| |4.088129|5.208188|14.654763|12.832409|14.268672|36.858105| |3.182205|3.899755|9.363787|7.456939|11.280202|14.047122|36.858105| |2.785329|3.203894|7.424264|5.082287|7.715262|8.289898|13.190706|36.858105| |2.297268|2.586571|5.645016|3.729697|6.048325|5.138508|7.310157|13.093101|36.858105| |2.104584|2.384429|5.055466|3.370034|5.720051|4.336722|6.136399|7.965012|16.020133|73.516695| |2.124806|2.317423|4.978725|3.122212|5.013675|4.116274|5.053561|8.033351|13.488865|15.077496|53.358707| |1.913390|2.074876|4.358155|2.714321|4.454451|3.426268|4.140705|5.825636|9.341711|14.067614|25.936208|0.500000| |2.234856|2.383884|5.163754|3.119541|4.872269|4.109987|4.599742|7.014234|7.810268|9.699640|19.250014|0.257676|36.858105| |2.595350|2.755378|6.164778|3.651552|5.478012|4.999982|5.189828|7.817663|6.649274|8.368526|11.188547|0.164801|14.993648|53.358707| |2.988694|3.307417|7.828011|4.888394|7.026257|7.759467|8.111326|13.944477|7.850546|9.508807|9.852642|0.145719|8.506171|18.845548|36.858105| |4.060964|4.517318|12.059279|6.839612|8.651383|10.872030|7.306873|7.428140|4.832281|6.833244|5.977839|0.099148|4.963013|9.598006|11.154475|388.023441| |1.963574|2.046836|4.294942|2.525817|4.016989|3.128529|3.369578|4.505856|5.032526|7.234146|10.623817|0.203258|12.589583|10.831409|5.225819|26.590262|36.858105| |2.020128|2.056284|4.289885|2.444006|3.845435|2.960019|3.024573|3.830486|3.893444|5.724513|7.024787|0.131366|7.745997|9.753161|4.727259|26.521527|12.801724|53.358707| |2.249449|2.279596|4.831021|2.720245|4.200931|3.338713|3.321289|4.217835|4.034918|5.800057|6.965774|0.123582|8.006154|12.443628|5.608413|31.814938|9.437805|25.488874|0.500000| |1.976533|2.002384|4.139565|2.345995|3.710453|2.795291|2.834655|3.486458|3.516294|5.288543|6.031341|0.114770|5.956513|7.819299|4.192780|24.638076|7.748811|17.262435|0.264300|36.858105| |2.027196|2.003683|4.089066|2.252507|3.549517|2.607154|2.547860|2.989780|2.887969|4.423128|4.623537|0.087608|4.327421|6.261581|3.622894|23.379664|5.001493|10.359323|0.205070|12.470368|36.858105| |1.852968|1.821012|3.660819|2.013673|3.207486|2.293928|2.250723|2.604763|2.554513|3.984808|4.072162|0.078940|3.696020|5.185417|3.074099|20.056607|4.425467|8.852373|0.166338|8.812785|17.550538|0.500000| |2.016457|1.987331|4.009702|2.200658|3.491817|2.499794|2.428171|2.769066|2.655771|4.139947|4.089721|0.077958|3.610440|5.232238|3.258189|21.795832|3.879267|6.789641|0.137433|7.568479|12.518610|0.249560|36.858105| |2.017096|1.944512|3.856396|2.073983|3.297793|2.296519|2.187708|2.426255|2.293792|3.617515|3.444967|0.065815|2.983963|4.403906|2.838317|19.961657|3.156653|5.423531|0.113530|5.172024|8.254206|0.209151|13.688451|73.516695| |1.954360|1.873557|3.651712|1.956517|3.142665|2.121409|2.014670|2.183401|2.062442|3.302612|3.027461|0.058218|2.539904|3.721821|2.492487|17.899994|2.624690|4.264634|0.089031|3.894794|5.251072|0.137823|7.942063|24.687958|36.858105| |1.896949|1.842652|3.580108|1.940391|3.144086|2.097476|2.011284|2.165587|2.060433|3.329770|2.994319|0.057886|2.458288|3.551531|2.421959|17.241225|2.502891|3.914693|0.080717|3.604640|4.417342|0.113296|6.725283|13.990632|13.798517|36.858105| |1.796097|1.736259|3.312198|1.790298|2.933936|1.897659|1.816617|1.919412|1.827563|2.993462|2.613592|0.050826|2.103065|3.024180|2.108228|15.224230|2.121660|3.236924|0.066838|2.855966|3.347208|0.088178|4.512032|9.220798|7.959000|13.699087|36.858105| |1.752357|1.669450|3.145387|1.682307|2.762550|1.761676|1.673403|1.753440|1.662644|2.730561|2.368417|0.046081|1.905699|2.753570|1.927377|14.129561|1.926991|2.949328|0.061315|2.527184|2.990309|0.080712|3.792032|8.195201|6.896234|7.939507|13.830075|36.858105| |1.798860|1.693884|3.197345|1.694787|2.764427|1.778310|1.677731|1.765744|1.666387|2.719477|2.389021|0.046329|1.946976|2.836772|1.966040|14.510830|1.985310|3.098504|0.064898|2.628720|3.224531|0.088613|3.990691|9.406214|8.012655|6.902861|7.971373|13.706010|36.858105| |1.898638|1.790111|3.431051|1.817235|2.933217|1.935477|1.823339|1.946823|1.832550|2.957106|2.662094|0.051351|2.212177|3.248862|2.207177|16.188251|2.280526|3.665710|0.077145|3.163420|4.125243|0.113755|5.240976|14.480751|13.641184|7.860752|6.815138|7.863541|13.774239|36.858105| |1.898230|1.770304|3.387147|1.780651|2.865387|1.894438|1.776080|1.899487|1.783887|2.871010|2.602699|0.050163|2.182109|3.222637|2.171387|16.025867|2.272949|3.713651|0.078910|3.082665|4.084878|0.117506|4.601325|12.296153|7.541310|5.007797|4.425566|4.996629|7.539614|12.621649|36.858105| |2.303478|2.246521|4.641380|2.504369|3.872831|2.908888|2.756221|3.213257|2.972205|4.482755|4.651325|0.085598|4.459592|7.087758|4.086965|27.651412|4.796033|9.883191|0.244623|8.147456|13.638191|0.258808|7.912552|12.462762|4.755595|3.915980|3.083735|2.843412|3.131112|3.999459|4.183540|73.516695| |1.837139|1.844718|3.764811|2.119810|3.377345|2.484701|2.512692|3.039093|3.096763|4.748496|5.290986|0.103684|5.094008|6.574685|3.593968|21.645472|7.518027|16.981770|0.256968|7.457347|6.233660|0.179816|4.189025|6.448431|2.880159|2.588497|2.180147|2.032368|2.170119|2.566174|2.694502|10.766751|36.858105| |1.612538|1.628456|3.277024|1.864295|3.022442|2.156304|2.221265|2.651938|2.807594|4.448979|4.790067|0.099197|4.239680|5.150884|2.977256|17.941462|6.305206|10.245326|0.156849|5.975902|4.888289|0.148765|3.637732|5.607835|2.593367|2.385893|2.037910|1.896304|2.000152|2.321007|2.402225|7.700532|12.501427|36.858105| |1.889248|1.895357|3.867902|2.172124|3.455944|2.537546|2.550025|3.052301|3.065121|4.709693|5.088158|0.098604|4.766309|6.371591|3.604063|22.089741|6.154196|10.394224|0.207495|4.957927|4.469387|0.125340|3.300154|5.337629|2.469875|2.229053|1.922196|1.820011|1.948577|2.267111|2.418739|8.680744|12.483166|7.473108|36.858105| |2.801528|3.469992|7.584126|5.979614|11.115347|7.423318|12.650823|7.369282|6.049025|11.051030|5.721530|0.102559|3.638916|5.182155|5.059647|33.184407|2.832235|3.432502|0.074665|2.393317|2.158559|0.053925|2.084214|3.364634|1.769757|1.785936|1.638093|1.513503|1.505463|1.614436|1.567524|4.055068|2.154383|1.960803|2.183881|36.858105| |17.566054|8.915968|10.200844|4.273344|7.087485|3.383255|2.750141|2.424887|2.047539|3.380614|2.587651|0.048075|1.983656|3.078153|2.559708|23.487783|1.766153|2.468725|0.055480|1.781731|1.830792|0.046929|1.830832|3.276703|1.804156|1.758060|1.684859|1.656567|1.696101|1.769770|1.769966|3.652423|1.667569|1.479352|1.713325|2.499920|0.500000| |17.575133|8.851673|12.852132|4.896260|7.441344|4.012055|3.132391|2.798006|2.308345|3.732883|2.936347|0.053868|2.293606|3.652382|3.058269|29.795816|2.022109|2.866756|0.065322|2.092475|2.174574|0.054853|2.194153|3.931655|2.158963|2.096614|1.985975|1.937470|1.988050|2.097082|2.080561|4.410070|1.902312|1.663549|1.930245|2.718806|0.300891|0.500000| |17.575972|8.852018|12.853713|4.897945|7.442514|4.014106|3.134665|2.799836|2.309655|3.735006|2.937322|0.053886|2.294460|3.653920|3.059765|29.799193|2.024702|2.852880|0.065354|2.020520|2.079041|0.052992|2.033905|3.629710|1.954730|1.871457|1.759226|1.723778|1.789954|1.907368|1.937028|4.261026|1.923264|1.674099|2.006600|2.721071|0.300894|0.300553|0.500000| |8.804252|17.633142|16.517163|7.261249|12.846563|4.775641|3.732875|3.047415|2.498194|4.147603|3.030981|0.055751|2.264315|3.509804|3.077389|28.569041|1.950515|2.655086|0.059439|1.926766|1.923847|0.048567|1.936716|3.361293|1.842809|1.836954|1.745629|1.672136|1.677869|1.756169|1.715566|3.775115|1.744335|1.555049|1.770413|3.443326|0.211476|0.211115|0.172907|0.500000| |8.804869|17.633728|16.517962|7.265588|12.850601|4.778615|3.736409|3.049578|2.499717|4.150296|3.031915|0.055768|2.265039|3.511007|3.078731|28.570096|1.952764|2.644030|0.059461|1.870380|1.857037|0.047266|1.824346|3.167601|1.711457|1.680525|1.586337|1.529562|1.554163|1.640707|1.632788|3.680746|1.760317|1.563575|1.828404|3.447652|0.211499|0.172909|0.211127|0.302132|0.500000| |1.818409|1.899510|3.936374|2.327079|3.755861|2.834750|3.091197|4.027328|4.694810|7.078873|9.693124|0.209985|8.830626|8.134183|4.396630|23.162508|17.624738|12.302840|0.185072|7.583032|4.741072|0.118652|3.859338|5.479194|2.597730|2.526165|2.143281|1.927215|1.962602|2.236901|2.194664|7.507743|6.211408|6.159829|4.873993|2.679880|0.045782|0.052151|0.051586|0.050863|0.050339|0.500000| |1.870411|1.948072|4.048994|2.381955|3.822931|2.907835|3.139209|4.088892|4.627354|6.892749|9.270418|0.189469|8.985063|8.648171|4.571399|24.136363|17.655418|12.292893|0.204765|5.687172|4.147659|0.107321|3.268850|4.926999|2.337867|2.218539|1.911634|1.759751|1.821310|2.075838|2.098948|7.282641|7.482788|6.663137|7.111256|2.693120|0.046978|0.052951|0.053962|0.051316|0.052228|0.302830|0.500000| |2.097437|2.152253|4.507902|2.584978|4.066450|3.139416|3.213683|4.032093|4.036868|5.952679|6.902361|0.127254|6.822749|9.061660|4.879995|27.683052|7.493998|12.514370|0.229926|17.630723|8.860465|0.174370|7.244463|8.653610|3.839417|3.710341|2.939915|2.553864|2.601731|3.076557|2.913988|12.384137|5.541645|4.644371|4.190602|2.674619|0.052212|0.061955|0.058973|0.057886|0.055442|0.208975|0.147395|0.500000| |1.782668|1.810794|3.691283|2.106809|3.384730|2.474020|2.547454|3.089181|3.229617|5.005349|5.542406|0.110944|5.062657|6.232975|3.532744|20.904345|6.921197|12.268540|0.182517|17.645839|8.760282|0.219054|6.491578|8.182018|3.615805|3.429908|2.756441|2.432202|2.502508|2.961622|2.862660|10.349292|6.778855|6.599581|4.477154|2.209885|0.045073|0.052162|0.050421|0.048729|0.047305|0.219847|0.149315|0.300664|0.500000| |2.190574|2.176303|4.442256|2.444197|3.848987|2.800546|2.705029|3.082082|2.901154|4.482069|4.392370|0.082274|3.858092|5.736837|3.654256|24.598691|3.904478|6.494889|0.136367|6.942704|8.858463|0.174843|17.546439|16.536148|7.005075|6.760394|4.589661|3.747327|3.800538|4.747301|4.069577|12.678481|3.803618|3.283401|3.109925|2.294383|0.054825|0.066809|0.060780|0.059237|0.054932|0.107416|0.090034|0.219054|0.159542|0.500000| |1.827301|1.814547|3.626260|2.013555|3.238546|2.274083|2.248064|2.557478|2.517632|3.990048|3.892138|0.075894|3.336267|4.629106|2.915413|19.160285|3.666649|6.117914|0.117654|6.834118|8.817715|0.215748|17.537131|16.487047|7.000124|6.736407|4.584831|3.749465|3.806404|4.756082|4.080031|10.127437|3.881724|3.598965|3.033411|1.966784|0.046490|0.054828|0.050961|0.049477|0.046592|0.105908|0.086525|0.180642|0.189132|0.299202|0.500000| |1.898448|1.872584|3.675592|2.019570|3.273783|2.211635|2.147173|2.336474|2.242357|3.617717|3.276649|0.063420|2.681704|3.830431|2.599953|18.084317|2.722724|4.206569|0.085691|4.005536|4.689954|0.116350|7.485880|12.545524|8.882032|17.750969|8.940698|5.662220|4.970229|5.601854|4.079262|7.102890|2.705248|2.510020|2.299287|1.904964|0.048663|0.058025|0.051857|0.052029|0.047464|0.077496|0.066046|0.118344|0.106787|0.226933|0.224713|0.500000| |1.730885|1.689159|3.209672|1.749767|2.890967|1.847802|1.782118|1.872099|1.793343|2.962136|2.545597|0.049738|2.018502|2.875856|2.026081|14.546677|2.021913|3.022147|0.062057|2.649774|2.985821|0.078360|3.914617|7.446891|5.663301|8.928412|17.726300|8.926185|5.653195|4.922628|3.541457|4.879228|2.024678|1.913931|1.793411|1.623559|0.045285|0.052979|0.046758|0.047576|0.042939|0.057239|0.050668|0.076845|0.071850|0.113491|0.113304|0.216887|0.500000| |1.662375|1.583107|2.950735|1.579767|2.614608|1.638118|1.558365|1.618491|1.538217|2.545543|2.174776|0.042471|1.731141|2.489864|1.760076|12.942419|1.743208|2.631064|0.054623|2.217923|2.559837|0.069431|3.133579|6.504844|4.965341|5.641848|8.927177|17.733237|8.900178|5.620360|4.082373|4.364200|1.823507|1.715475|1.650979|1.423016|0.044030|0.050890|0.045242|0.044269|0.040417|0.048513|0.044547|0.062415|0.059697|0.086790|0.086845|0.124387|0.214399|0.500000| |1.733740|1.619901|3.026455|1.597523|2.616500|1.661190|1.563857|1.634877|1.542717|2.528591|2.202001|0.042793|1.785635|2.599299|1.811886|13.463731|1.820030|2.822459|0.059228|2.340288|2.826796|0.078694|3.332046|7.596265|5.680393|4.967280|5.667870|8.926054|17.714687|8.975909|7.012834|4.972530|2.006217|1.855570|1.828382|1.410694|0.045758|0.053022|0.048063|0.044501|0.041460|0.049793|0.046866|0.063988|0.062076|0.088237|0.088402|0.107813|0.124340|0.215505|0.500000| |1.780258|1.676586|3.223278|1.710826|2.759102|1.836225|1.739674|1.880467|1.786716|2.876325|2.639822|0.051204|2.224010|3.241607|2.147692|15.520214|2.370412|3.928980|0.082116|3.267814|4.410828|0.134914|4.761294|12.464714|6.727851|4.596356|3.964272|4.274572|5.849249|8.833901|17.558855|7.740407|2.929272|2.633563|2.587017|1.538080|0.046093|0.053615|0.050694|0.045026|0.043262|0.063777|0.061049|0.083380|0.085489|0.111298|0.119880|0.108141|0.090317|0.099065|0.151525|0.500000| |2.098716|1.937031|3.726816|1.936841|3.086562|2.062807|1.910100|2.041459|1.891316|3.019409|2.752356|0.052531|2.332270|3.513955|2.369160|17.812557|2.402150|3.966130|0.086391|3.229235|4.327172|0.120730|4.670518|12.178335|6.652675|4.571280|3.963274|4.292888|5.896823|8.830181|17.538108|8.506177|2.857779|2.475839|2.603279|1.667351|0.053929|0.064263|0.059963|0.051703|0.049394|0.063392|0.061566|0.085104|0.081092|0.117765|0.109735|0.107406|0.090293|0.099598|0.153464|0.302241|0.500000| |1.812085|1.678633|3.169454|1.661557|2.692132|1.746167|1.635768|1.731070|1.627804|2.640219|2.354659|0.045565|1.949472|2.864962|1.956469|14.545719|2.019710|3.233585|0.068558|2.626251|3.322732|0.095779|3.655902|8.863204|5.575299|4.171501|3.970948|4.751026|7.266645|8.884436|17.598638|6.081605|2.370325|2.143010|2.170883|1.456749|0.047397|0.055004|0.051347|0.045266|0.043171|0.054276|0.052387|0.069469|0.068563|0.092438|0.092869|0.095850|0.090387|0.113231|0.224236|0.301649|0.302095|0.500000| |2.348212|2.246685|4.575755|2.424274|3.756899|2.746325|2.558871|2.893285|2.650764|4.059768|4.027368|0.074704|3.699180|5.858778|3.605039|25.795975|3.870779|7.263488|0.171994|6.000152|9.860920|0.221992|7.689839|14.862222|5.500251|4.248681|3.336270|3.136852|3.564692|4.736595|5.141506|35.589603|4.815609|3.675066|4.113379|2.138683|0.058378|0.071032|0.067879|0.059041|0.057201|0.097171|0.094669|0.150662|0.130999|0.190434|0.151463|0.115291|0.080692|0.074343|0.088171|0.145418|0.173145|0.112791|0.500000| |1.850255|1.831812|3.710699|2.057350|3.271134|2.375297|2.354933|2.781666|2.763684|4.269887|4.544213|0.088273|4.272582|5.851402|3.312335|20.904898|5.615435|12.538209|0.224230|7.295537|7.528976|0.242489|4.730888|7.524887|3.247904|2.825080|2.354167|2.211524|2.404139|2.906621|3.125042|13.096362|17.688318|8.893835|8.992000|2.020700|0.046727|0.053648|0.053861|0.048129|0.048281|0.136456|0.148139|0.147227|0.179684|0.114038|0.118840|0.080645|0.059850|0.054641|0.061633|0.096453|0.092481|0.075226|0.163340|0.500000| |1.577158|1.609149|3.242670|1.867467|3.045747|2.171461|2.277369|2.743750|2.994907|4.789069|5.216986|0.111748|4.464186|5.157297|3.007168|17.709666|6.827284|9.054611|0.141969|5.158864|4.068668|0.117628|3.185128|4.903227|2.322348|2.178307|1.882868|1.748451|1.824169|2.084500|2.134521|6.586092|8.730582|17.576067|6.753609|2.028955|0.040230|0.044899|0.045408|0.042732|0.043167|0.191633|0.224200|0.119549|0.157971|0.082434|0.088094|0.064096|0.049653|0.044273|0.047154|0.064015|0.061144|0.053430|0.088245|0.172982|0.500000| |1.527406|1.531586|3.050222|1.723597|2.807542|1.963979|2.005979|2.344791|2.454107|3.942811|4.048521|0.083714|3.482277|4.368949|2.611744|16.211487|4.725263|7.517105|0.126964|4.640869|4.187815|0.132229|3.226169|5.185899|2.432226|2.219740|1.920781|1.812464|1.926942|2.225695|2.344292|6.812109|8.953915|17.590518|6.873357|1.787396|0.039139|0.043657|0.044200|0.040576|0.041008|0.127179|0.141832|0.104119|0.138785|0.080433|0.088755|0.063869|0.050000|0.045765|0.050157|0.072113|0.066803|0.058701|0.093616|0.215990|0.303356|0.500000| |1.567207|1.582220|3.172271|1.805179|2.936251|2.078427|2.142691|2.542488|2.698475|4.309004|4.566581|0.095248|3.969886|4.829664|2.831148|17.165722|5.715234|9.292944|0.141957|6.557352|5.291468|0.166029|4.018110|6.041600|2.787643|2.585010|2.188390|2.015260|2.111891|2.455248|2.498633|7.654252|8.720209|17.583972|5.441991|1.902502|0.040033|0.045178|0.044856|0.042273|0.042010|0.170320|0.153266|0.138014|0.231326|0.098452|0.115025|0.076306|0.057139|0.050434|0.053985|0.076652|0.070373|0.061539|0.102372|0.211313|0.300427|0.303602|0.500000| |2.095705|2.088506|4.303302|2.386618|3.744504|2.799545|2.750122|3.274064|3.156111|4.777886|5.093801|0.095387|4.863862|7.083684|4.012607|25.299624|5.616698|9.643399|0.228948|4.765213|4.507978|0.121712|3.354023|5.513920|2.547062|2.280249|1.966116|1.869471|2.012854|2.350843|2.528147|9.612788|8.772244|5.457108|17.570508|2.308725|0.052335|0.059473|0.062512|0.053609|0.055789|0.121575|0.168202|0.115971|0.113908|0.089338|0.083327|0.064905|0.050747|0.047036|0.052531|0.074051|0.077188|0.062933|0.126891|0.214078|0.138846|0.140431|0.122112|0.500000| |1.763173|1.752969|3.521104|1.962989|3.150944|2.244167|2.240757|2.609648|2.617684|4.114039|4.214630|0.083059|3.753125|5.052863|3.010914|19.149745|4.643207|7.579998|0.150454|4.118376|3.933864|0.115511|2.994628|4.994301|2.339191|2.098299|1.828231|1.751207|1.888180|2.188119|2.373210|7.524104|8.936814|6.798902|17.590506|1.952313|0.044795|0.049948|0.052125|0.045545|0.047168|0.109764|0.146116|0.097258|0.107208|0.077333|0.077386|0.059428|0.047297|0.044305|0.049662|0.071284|0.070504|0.059768|0.103616|0.219597|0.166377|0.204545|0.139885|0.302602|0.500000| |1.838923|1.870135|3.822038|2.181359|3.496213|2.566217|2.636434|3.191617|3.302185|5.100091|5.572875|0.109965|5.059393|6.375984|3.658508|21.717575|6.541525|9.055957|0.175921|4.407047|3.789246|0.104238|2.929976|4.696788|2.222410|2.046061|1.782114|1.681862|1.779459|2.038933|2.142725|7.153043|8.695092|6.783385|17.579207|2.278434|0.046408|0.051728|0.054123|0.048578|0.050532|0.142423|0.244814|0.108112|0.113836|0.078286|0.076124|0.059084|0.046661|0.042678|0.046467|0.063026|0.063561|0.053934|0.095665|0.173710|0.199890|0.170268|0.138401|0.300073|0.303425|0.500000| |2.542362|3.075148|6.540098|4.849194|8.987476|5.847304|8.935172|6.641306|6.131578|12.060854|5.787600|0.105983|3.584642|4.948755|4.629034|29.224781|2.823469|3.364655|0.072580|2.302339|2.062086|0.052020|1.964787|3.176502|1.663370|1.668703|1.531159|1.421164|1.419616|1.524205|1.490949|3.862470|2.140947|1.964207|2.200625|17.582669|0.063685|0.067953|0.069795|0.083416|0.086871|0.074060|0.076283|0.070412|0.059539|0.059253|0.051758|0.049290|0.042072|0.037160|0.037082|0.040890|0.043963|0.038574|0.056365|0.055270|0.057074|0.049883|0.052528|0.064213|0.054749|0.064748|0.500000| |2.541167|3.074327|6.538703|4.850463|8.996702|5.848053|8.934057|6.637004|6.130230|12.064679|5.789024|0.106014|3.583503|4.946115|4.626824|29.219722|2.817293|3.387035|0.072526|2.409003|2.153463|0.053741|2.105655|3.369256|1.781631|1.819830|1.671316|1.531953|1.510757|1.614106|1.552051|3.969649|2.112203|1.947346|2.101811|17.581996|0.063657|0.069701|0.067971|0.086753|0.083495|0.075773|0.073555|0.075594|0.062431|0.064707|0.055761|0.054411|0.046361|0.040051|0.039178|0.042342|0.045535|0.040018|0.058085|0.055029|0.056089|0.049112|0.053039|0.060954|0.052259|0.060801|0.304020|0.500000| 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