Version2.1 2020-12-29T07:32:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc[n+](c(c1)CC[C@H](C(=O)NCC(=O)NCc2cc(ccc2C[NH3+])Cl)NC(=O)C(=O)[O-])[O-] C28706198 RHF 6-31G(d) (6D,7F) c1cc[n+](c(c1)CC[C@H](C(=O)NCC(=O)NCc2cc(ccc2C[NH3+])Cl)NC(=O)C(=O)[O-])[O-] C01[X(C21H24Cl1N5O6)] 165 C1 547 [NH3+]Cc1ccc(cc1CNC(=O)CNC(=O)[C@H](NC(=O)C(=O)[O-])CCc1cccc[n+]1[O-])Cl [NH3+]Cc1ccc(cc1CNC(=O)CNC(=O)[C@H](NC(=O)C(=O)[O-])CCc1cccc[n+]1[O-])Cl [NH3+]Cc1ccc(Cl)cc1CNC(=O)CNC(=O)[C@@H](CCc2cccc[n+]2[O-])NC(=O)C([O-])=O InChIKey=VDJZDGBZCZVZJP-QGZVFWFLSA-N InChI=1S/C21H24ClN5O6/c22-15-5-4-13(10-23)14(9-15)11-24-18(28)12-25-19(29)17(26-20(30)21(31)32)7-6-16-3-1-2-8-27(16)33/h1-5,8-9,17H,6-7,10-12,23H2,(H,24,28)(H,25,29)(H,26,30)(H,31,32)/t17-/m1/s1 InChI=1/C21H24ClN5O6/c22-15-5-4-13(10-23)14(9-15)11-24-18(28)12-25-19(29)17(26-20(30)21(31)32)7-6-16-3-1-2-8-27(16)33/h1-5,8-9,17H,6-7,10-12,23H2,(H,24,28)(H,25,29)(H,26,30)(H,31,32)/t17-/m1/s1/f/h23-26H c1cc[n+](c(c1)CC[C@H](C(=O)NCC(=O)NCc2cc(ccc2C[NH3+])Cl)NC(=O)C(=O)[O-])[O-] C01[X(C21H24Cl1N5O6)] 165 C01 547 [NH3+]Cc1ccc(cc1CNC(=O)CNC(=O)[C@H](NC(=O)C(=O)[O-])CCc1cccc[n+]1[O-])Cl [NH3]C[C]1[CH][CH][C]([CH][C]1CNC(=O)CNC(=O)[C@H](NC(=O)[C]([O])=O)CC[C]1[CH][CH][CH][CH][N]1O)Cl [NH3]C[C]1[CH][CH][C](Cl)[CH][C]1CNC(=O)CNC(=O)[C@@H](CC[C]2[CH][CH][CH][CH]N2O)NC(=O)C([O])=O InChIKey=CNIILMSJKFLUJZ-QGZVFWFLSA-N InChI=1S/C21H25ClN5O6/c22-15-5-4-13(10-23)14(9-15)11-24-18(28)12-25-19(29)17(26-20(30)21(31)32)7-6-16-3-1-2-8-27(16)33/h1-5,8-9,17,33H,6-7,10-12H2,23H3,(H,24,28)(H,25,29)(H,26,30)/t17-/m1/s1 InChI=1/C21H25ClN5O6/c22-15-5-4-13(10-23)14(9-15)11-24-18(28)12-25-19(29)17(26-20(30)21(31)32)7-6-16-3-1-2-8-27(16)33/h1-5,8-9,17,33H,6-7,10-12H2,23H3,(H,24,28)(H,25,29)(H,26,30)/t17-/m1/s1/f/h24-26H 3693.2614777065 -1990.0912839 1-A 19438.2981 125 422 547 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.84710 -20.55514 -20.53917 -20.52432 -20.48549 -20.48384 -20.47701 -15.70607 -15.66865 -15.62091 -15.59726 -15.57994 -11.37826 -11.36069 -11.32909 -11.32868 -11.31576 -11.30529 -11.30367 -11.29440 -11.28779 -11.28603 -11.28391 -11.28293 -11.27635 -11.27424 -11.27414 -11.27166 -11.24938 -11.24806 -11.24259 -11.23366 -11.22812 -10.58049 -8.04989 -8.04649 -8.04648 -1.42857 -1.42581 -1.41028 -1.39605 -1.35755 -1.30729 -1.27195 -1.26939 -1.24993 -1.23362 -1.22026 -1.19358 -1.15321 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1607.6669 1614.6716 1627.6618 1649.3195 1654.3609 1663.9014 1665.9376 1674.5558 1705.8576 1711.7560 1718.7013 1727.3412 1764.9157 1775.0207 1805.5605 1807.2720 1827.1583 1858.5078 1915.3552 1930.6008 1933.3826 1942.2140 2931.3292 3236.4703 3237.7602 3245.1682 3245.3629 3256.5302 3300.6919 3310.6771 3320.1476 3321.0983 3324.0065 3374.6772 3383.3326 3391.9793 3392.4142 3408.0386 3409.0039 3426.2734 3456.7983 3640.8277 3769.4919 3879.9260 3887.4188 3892.8451 8.1721 7.0115 6.3715 6.4441 7.9721 7.4459 5.2457 7.1865 8.0273 6.5346 8.5224 7.5817 9.6944 9.3100 5.1264 3.9775 4.6182 6.8889 5.2909 4.9123 5.1775 4.0301 4.8915 5.0684 3.6118 3.4242 3.4079 2.9852 4.1772 4.5853 2.4570 5.8181 2.8636 3.0131 2.8428 2.5450 3.6688 3.2144 2.6876 5.9843 3.9122 2.2901 3.0453 2.7588 3.0100 1.4482 3.8934 1.2944 4.9447 3.5340 2.9302 4.3835 6.3212 5.0541 3.7138 4.6915 4.5057 3.3832 4.4380 3.7303 3.3614 4.4782 1.6784 2.6656 4.2374 4.8462 1.6923 8.0023 2.2609 3.4347 3.0135 1.4298 1.6296 1.5962 2.3818 4.2524 4.0414 1.3778 1.4358 2.8598 1.3327 3.2349 2.5497 2.9501 3.0911 3.0155 3.0506 2.3795 2.9987 2.2544 1.8526 2.2449 2.2077 1.5837 1.2233 2.0954 1.8899 2.6198 1.3356 1.8206 2.0687 2.6353 1.8435 1.5010 1.2870 1.6800 1.3729 1.3874 1.3197 1.2940 1.1864 1.5705 1.4941 1.5310 3.0994 1.6496 1.5116 1.4108 1.9516 1.8850 1.0988 1.2115 1.1696 1.1065 2.4941 1.2735 1.6585 1.7400 2.3315 2.0033 1.1994 5.9651 6.3698 5.5188 1.1036 5.6109 1.1519 5.1766 8.6123 8.5011 8.6313 1.0903 1.0667 1.0777 1.0711 1.0775 1.0659 1.0986 1.0982 1.0637 1.0955 1.1021 1.0931 1.1057 1.0927 1.0897 1.0955 1.0958 1.0961 1.0960 1.0633 1.0884 1.0791 1.0782 1.0793 0.0010 0.0018 0.0036 0.0056 0.0140 0.0140 0.0133 0.0190 0.0315 0.0279 0.0514 0.0598 0.0989 0.1014 0.0602 0.0616 0.0804 0.1451 0.1197 0.1257 0.1482 0.1189 0.2072 0.2284 0.1691 0.1791 0.2091 0.1853 0.2901 0.3892 0.2143 0.5199 0.2720 0.3229 0.3316 0.3061 0.4927 0.4531 0.3874 0.9167 0.6113 0.3697 0.5111 0.5056 0.5665 0.2831 0.8177 0.2866 1.1396 0.8231 0.7418 1.1415 1.6991 1.4368 1.1145 1.4778 1.6260 1.3277 1.7841 1.5589 1.4237 1.9146 0.7469 1.1975 2.0181 2.4069 0.8854 4.2168 1.2390 1.9333 1.7136 0.8257 0.9631 0.9753 1.5166 2.7856 2.6577 0.9424 1.0274 2.0549 0.9765 2.4005 1.9334 2.2817 2.4744 2.4574 2.5068 2.0098 2.5762 1.9785 1.6315 1.9913 2.0152 1.4600 1.2033 2.1061 1.9241 2.7002 1.4067 1.9297 2.2243 2.8619 2.0074 1.6654 1.4805 1.9786 1.6433 1.6931 1.6130 1.6191 1.5473 2.0926 2.0079 2.0985 4.3333 2.3115 2.1561 2.0375 2.8662 2.8704 1.6878 1.8910 1.8745 1.7844 4.0684 2.0823 2.7401 2.9832 4.0251 3.4866 2.1084 10.9475 11.8246 10.6004 2.1238 11.0367 2.3441 11.1891 18.9128 18.7223 19.1831 5.5198 6.5831 6.6562 6.6459 6.6867 6.6601 7.0517 7.0921 6.9088 7.1190 7.1744 7.3347 7.4570 7.4074 7.3888 7.4970 7.5029 7.5814 7.7163 8.3044 9.1117 9.5714 9.5998 9.6367 0.0325 1.6312 1.3560 2.0213 7.3534 11.2165 12.0942 7.2832 3.2816 6.4366 3.3278 1.5542 3.9832 5.8808 6.6665 3.9324 8.2189 1.8241 10.0378 18.6396 4.1201 7.6177 10.4656 5.2942 10.3098 72.4048 17.6589 15.0593 1.9443 5.2625 4.7092 49.2392 76.4430 16.2863 19.7514 7.9064 3.6910 21.1637 3.2466 5.7798 76.2824 63.8381 50.6132 18.0627 17.2310 147.8346 16.3106 115.4025 3.5920 28.9952 6.9221 1.6327 30.8013 8.3722 6.1403 20.5386 3.0674 1.7246 3.3683 2.3146 31.9372 12.2118 48.1230 41.1259 53.9108 61.9238 32.5307 1.0666 18.1913 13.7768 21.0820 2.3223 11.7555 5.7017 6.5957 26.2826 28.3256 6.5108 1.5808 9.8508 1.8888 34.5042 1.9918 4.5341 8.9806 2.2259 7.7412 12.0635 1.6327 2.9088 11.4279 39.7845 5.1233 124.1969 6.2444 16.3165 3.7949 51.0115 22.2970 36.0405 71.1529 26.1404 196.2499 19.3025 31.5992 22.3107 53.8265 25.9291 8.4391 6.6081 16.7805 71.9460 36.0507 9.8836 166.0996 31.1177 42.3546 36.8415 2.2158 39.5749 7.2410 19.2063 15.5442 24.6023 33.1225 34.1903 43.7071 183.0048 410.0053 243.4782 134.2152 27.2728 2.9307 36.2445 41.1308 1.4913 135.7745 328.3035 433.0115 53.2783 796.3474 1737.4681 31.1225 3.8694 34.5966 36.7396 20.6884 6.5426 14.7693 2.4187 2.4675 11.0707 4.1900 3.4277 2.7853 2.3298 8.6196 2.0182 0.6913 0.4810 144.9955 80.8762 46.2320 61.7740 90.7345 2.3204 0.5054 1.2525 3.4843 1.8356 0.7502 3.7281 2.4988 2.8664 1.4924 1.4263 0.7050 0.6200 0.2843 1.7121 3.1305 1.3598 1.1740 1.0556 1.7771 1.0528 0.9325 1.0996 0.7820 1.2952 0.7151 0.3400 2.8091 0.6741 4.6956 0.8981 2.4096 2.1020 1.6137 1.6636 1.3398 2.9200 1.1268 0.6551 0.9908 0.5119 1.8448 0.8535 1.1935 1.1492 1.0454 1.4071 0.9743 3.6282 1.9804 1.1874 5.5317 0.7066 2.3962 0.7623 1.3423 14.3320 7.8732 0.7966 2.2051 5.7208 6.1909 1.7816 3.8505 1.0362 2.9385 2.9736 1.1563 5.0277 8.2174 4.2717 2.1349 0.7685 1.6904 1.8998 3.7211 1.1466 0.3460 2.2016 13.0715 0.7230 4.4798 0.8198 11.0469 9.3171 13.4502 3.2756 5.8073 1.9705 1.2224 13.5654 1.8592 3.1718 1.4723 2.0655 1.5057 0.6233 25.4094 3.1382 3.6471 11.1151 1.2634 2.6957 2.3234 3.2529 5.5858 8.1153 5.5313 4.8785 4.1980 3.7546 4.5406 3.4651 1.8874 21.3807 10.1733 2.1641 8.7024 0.7166 4.9217 11.9481 9.6635 11.0656 8.2882 0.9875 3.1951 4.1252 1.4616 1.1958 4.9036 5.4501 12.9903 7.3185 46.3806 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14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 34.96885 14.00307 12.00000 15.99491 12.00000 15.99491 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 6776.6718 31438.7956 34493.9200 1.00000 0.00217 -0.00155 -0.00216 0.99996 0.00849 0.00157 -0.00849 0.99996 1 0.01278 0.00276 0.00251 0.26632 0.05740 0.05232 20.61 30.15 44.63 55.17 78.57 81.35 94.21 96.31 117.35 122.48 145.61 166.50 189.31 195.60 203.05 233.35 247.27 272.08 281.99 299.87 317.15 322.00 385.76 397.88 405.62 428.64 464.26 466.97 493.94 546.11 553.52 560.30 577.66 613.60 640.20 650.07 686.91 703.78 711.61 733.63 740.95 753.09 767.88 802.48 813.17 828.70 859.00 881.93 899.87 904.64 943.11 956.54 971.79 999.42 1026.84 1052.02 1126.00 1174.22 1188.44 1211.73 1219.90 1225.61 1250.39 1256.35 1293.55 1320.99 1355.84 1360.66 1387.60 1406.27 1413.49 1424.46 1440.97 1465.13 1495.73 1517.08 1520.03 1550.19 1585.63 1588.88 1604.50 1614.69 1632.27 1648.47 1677.07 1692.11 1699.16 1722.67 1737.35 1755.98 1759.03 1765.36 1790.82 1799.74 1859.02 1879.21 1891.33 1902.96 1923.65 1929.80 1943.63 1953.35 1955.97 1974.40 2010.40 2034.16 2050.71 2070.69 2072.26 2096.77 2140.60 2163.66 2172.94 2194.48 2216.37 2218.81 2238.64 2252.61 2271.57 2313.07 2323.15 2341.84 2373.00 2380.26 2393.98 2396.91 2409.31 2454.35 2462.84 2472.83 2485.26 2539.32 2553.86 2597.80 2600.26 2628.87 2673.98 2755.77 2777.70 2781.71 2794.41 4217.53 4656.56 4658.41 4669.07 4669.35 4685.42 4748.96 4763.33 4776.95 4778.32 4782.50 4855.41 4867.86 4880.30 4880.93 4903.41 4904.80 4929.64 4973.56 5238.34 5423.46 5582.35 5593.13 5600.94 0.490039 0.518638 0.519582 0.428107 -1989.601245 -1989.572646 -1989.571702 -1989.663176 3.068053D-04 MUNgauss RevisionA2.0 retrievium 29-Dec-2020 DUDE c1cc[n+](c(c1)CC[C@H](C(=O)NCC(=O)NCc2cc(ccc2C[NH3+])Cl)NC(=O)C(=O)[O-])[O-] C28706198 RHF 6-31G(d) (6D,10F) C1 477.141511 |X|Y|Z| 34.278465 52.990021 124.319383 60.895439 21 6 7 18 3 |36.858105| |13.759687|36.858105| |8.013185|13.875308|36.858105| |6.926536|8.045380|14.230847|53.358707| |7.926897|6.937525|8.168793|19.280827|36.858105| |13.799464|8.021380|7.031879|11.000244|13.756154|36.858105| |4.992951|4.485757|5.190193|10.738761|12.665609|7.439256|36.858105| |4.032724|3.774683|4.373057|8.298135|7.474158|5.343771|12.315813|36.858105| |3.622972|3.247139|3.492372|5.961029|5.461143|4.699046|7.431749|12.414776|36.858105| |3.260473|2.905312|3.090375|5.198793|4.756052|4.200650|6.748752|8.901865|17.565088|0.500000| |2.943110|2.733645|2.932339|4.747999|3.958193|3.531070|4.796244|7.303536|12.365144|0.253805|36.858105| |2.637503|2.427233|2.536391|3.974179|3.304255|3.093583|3.852579|5.128523|7.987603|0.202739|15.825514|73.516695| |2.731573|2.639202|2.912382|4.691880|3.668851|3.177404|4.324753|6.646778|7.647081|0.169913|14.035703|15.164897|53.358707| |2.321734|2.266973|2.461355|3.803925|2.903406|2.606431|3.261839|4.429529|4.994691|0.121482|7.937545|12.644013|18.013967|36.858105| |2.320816|2.269327|2.414782|3.616529|2.741384|2.541033|2.925082|3.776571|4.274112|0.102257|6.161010|10.809382|10.490087|12.484075|36.858105| |2.511018|2.490977|2.657026|3.920944|2.912622|2.704112|2.997998|3.825141|4.124651|0.096050|5.398758|8.893614|8.980142|7.991976|15.796530|73.516695| |2.067304|2.004932|2.093990|3.088253|2.359394|2.240262|2.503549|3.089407|3.561788|0.089113|4.882019|9.615894|7.291205|7.790152|14.123606|15.114582|53.358707| |1.950612|1.900525|1.956514|2.819156|2.134580|2.067022|2.203007|2.619582|2.948091|0.074263|3.719823|7.200054|5.354662|4.999506|7.773443|12.173264|17.903450|36.858105| |1.903750|1.827076|1.845423|2.639601|2.028150|2.009104|2.079718|2.411461|2.769281|0.070896|3.373654|6.791940|4.540096|3.915606|5.309779|8.676366|10.304837|12.518401|36.858105| |1.678156|1.617140|1.628814|2.313264|1.767952|1.756941|1.810663|2.059823|2.324953|0.060704|2.751978|5.480233|3.723040|3.175897|3.981819|6.569597|7.254274|7.696634|13.734408|36.858105| |1.603312|1.534389|1.528681|2.158369|1.658878|1.670044|1.690385|1.887493|2.132752|0.056329|2.453038|4.896171|3.243811|2.666862|3.192741|5.366597|5.417787|5.050766|7.891410|13.760210|36.858105| |1.703475|1.610961|1.587348|2.237391|1.737978|1.773988|1.761816|1.949912|2.231218|0.058977|2.524663|5.084201|3.247830|2.590350|3.067697|5.224496|5.009759|4.409656|6.797563|7.945088|13.845849|36.858105| |1.942403|1.819250|1.786719|2.530060|1.984794|2.036453|2.008295|2.242364|2.618679|0.068282|2.984453|6.094846|3.754197|2.952551|3.574611|6.127783|5.770358|4.968270|7.932666|6.953445|8.031668|13.749235|36.858105| |2.086724|1.967570|1.957916|2.797936|2.186826|2.207714|2.225978|2.556689|3.012051|0.076772|3.588621|7.374215|4.571092|3.697735|4.810875|8.153402|8.149828|7.354969|13.561955|7.922722|6.845066|7.838348|13.719162|36.858105| |2.493278|2.314723|2.296253|3.314921|2.637165|2.677244|2.674724|3.122242|3.810422|0.093817|4.553855|9.345744|5.515989|4.202418|5.466079|9.625942|8.061885|6.082506|7.363550|4.972426|4.437356|5.045392|7.710322|12.580466|36.858105| |2.767046|2.610809|2.580403|3.654879|2.846547|2.898490|2.778008|3.226452|3.723691|0.088721|4.244978|7.842815|5.423274|4.018021|5.364341|11.039068|7.053153|5.528733|5.770461|4.170675|3.699793|4.033697|5.457295|7.505361|12.720453|53.358707| |2.801572|2.697375|2.731862|3.905446|2.988742|2.953387|2.933051|3.514180|3.965199|0.092359|4.673813|8.251455|6.305013|4.731883|6.785886|15.929449|8.100116|6.073882|5.518623|3.987132|3.409204|3.544765|4.512400|6.233867|9.078142|25.610142|0.500000| |2.549985|2.436208|2.388400|3.317019|2.542948|2.608259|2.453800|2.783208|3.117577|0.075949|3.479840|6.414021|4.558253|3.446991|4.533559|9.325066|6.215980|5.310515|5.787751|4.347230|3.913946|4.271749|5.650528|7.298370|9.099434|25.781455|0.319921|0.500000| |3.193136|2.945963|2.850224|4.015744|3.184083|3.335684|3.033088|3.448596|3.988632|0.093953|4.263259|7.682724|5.251307|3.669655|4.528046|9.218594|5.743000|4.276912|4.456182|3.446438|3.180032|3.534518|4.673474|5.712660|9.274703|24.671698|0.317572|0.316446|0.500000| |1.399712|1.347863|1.343755|1.888018|1.441367|1.449229|1.468063|1.618328|1.796644|0.048008|2.029202|3.981922|2.712207|2.214877|2.551692|4.314102|4.173703|3.690181|4.757297|7.049647|10.954047|7.044650|4.783109|4.212753|3.158198|3.785739|0.072888|0.081546|0.068744|448.794386| |4.228383|3.567043|3.615185|5.891067|5.665461|5.581801|6.447247|7.667174|13.175539|0.259906|7.851743|11.887420|7.369995|4.078595|3.889771|6.934711|4.587911|2.918721|2.850151|2.379535|2.220882|2.383978|2.863123|3.244037|4.303493|5.785506|0.119829|0.097317|0.135336|14.863605|53.358707| |4.400091|3.766276|3.723934|5.742652|5.137599|5.322869|5.070531|5.964296|7.848755|0.162292|6.623524|10.507560|6.963668|4.087266|4.255164|8.039316|4.976574|3.259652|3.196791|2.607335|2.420119|2.620232|3.228024|3.737786|5.309188|7.774138|0.159128|0.124805|0.199236|15.916707|19.389664|36.858105| |3.989726|3.663363|3.762668|5.746826|4.727332|4.571754|4.628370|5.892279|6.964388|0.141140|6.986914|10.481365|8.225938|4.842810|5.324067|10.861019|5.817843|3.770122|3.526108|2.807834|2.535393|2.686907|3.302480|4.004965|5.741438|9.399146|0.217658|0.144569|0.228391|16.547265|11.641621|15.727911|73.516695| |4.430261|3.639394|3.355738|4.846075|4.251314|4.941618|3.952286|4.146285|4.998878|0.118921|4.438426|7.761367|4.969676|3.162810|3.394537|6.410174|4.234338|2.936540|3.035621|2.529836|2.426660|2.712143|3.375633|3.692125|5.139869|7.537867|0.138310|0.127978|0.212331|15.991881|10.610286|12.277624|13.928589|36.858105| |3.770668|3.268803|3.016776|4.218522|3.492291|3.931773|3.236202|3.460174|4.029413|0.097102|3.893113|6.986464|4.575245|3.057581|3.452282|6.669346|4.410051|3.192637|3.386042|2.793265|2.693341|3.060162|3.910793|4.263983|6.080236|9.781537|0.162636|0.168666|0.321622|17.453416|7.436408|8.130836|12.395464|15.329448|73.516695| |4.719776|3.662711|3.287853|4.743948|4.311361|5.373633|3.995448|3.900512|4.614685|0.116484|3.881181|6.813757|4.346218|2.759850|2.861627|5.288390|3.618176|2.505737|2.601220|2.230989|2.173900|2.429603|2.938584|3.099318|4.020227|5.606950|0.105118|0.100024|0.143810|14.637339|9.655928|8.114158|9.850200|15.677041|15.147799|73.516695| |4.716117|5.390303|8.403570|20.111648|8.346522|5.382324|7.172097|6.294038|4.245911|0.103988|3.511567|5.143765|4.964404|2.944040|2.720468|5.205817|3.124906|2.071270|1.906369|1.676132|1.551046|1.589014|1.781960|1.984226|2.316475|3.441143|0.076276|0.063885|0.075103|10.945355|5.268347|3.709706|6.859943|3.066756|4.854407|5.257218|73.516695| |17.746865|8.871305|5.669286|6.781476|5.642708|8.925431|4.060923|3.410840|3.221249|0.081975|2.681667|4.382390|3.359902|2.139760|2.165624|4.145131|2.670866|1.874709|1.857417|1.647559|1.590345|1.703737|1.940557|2.053977|2.438629|3.665513|0.074185|0.069778|0.086950|11.172273|5.230150|4.060758|6.441334|4.436998|6.827027|8.767945|6.624260|0.500000| |8.850376|17.747065|9.008389|7.795127|4.988957|5.663271|3.582433|3.135853|2.771437|0.069662|2.408214|3.863262|3.194735|2.062728|2.089967|4.090468|2.541468|1.794922|1.732524|1.545999|1.473323|1.545237|1.732337|1.858957|2.155673|3.326517|0.069721|0.064488|0.076038|10.455953|4.125637|3.245554|5.692059|3.236737|5.355181|5.769390|7.730929|0.211134|0.500000| |5.639870|8.793012|17.808958|12.817226|5.852459|5.046414|4.295236|3.828694|3.077831|0.076336|2.680192|4.142857|3.722768|2.356271|2.314542|4.548667|2.733616|1.886709|1.764676|1.567367|1.466620|1.510600|1.685540|1.848207|2.134219|3.271751|0.071275|0.062518|0.072412|10.417243|4.222603|3.210995|5.932333|2.901160|4.765867|4.995126|14.086041|0.123299|0.211476|0.500000| |8.937066|5.681273|5.039259|7.808052|8.971689|17.772336|6.852070|5.091127|4.937313|0.126866|3.631957|5.795798|4.276344|2.586225|2.518636|4.679661|3.066822|2.074702|2.046957|1.790840|1.715159|1.839310|2.122376|2.279082|2.780147|3.986861|0.081288|0.072800|0.094266|11.915772|8.615343|5.668402|8.028122|5.538311|7.428785|11.838071|7.695445|0.214917|0.124071|0.109216|0.500000| |4.309233|4.098181|4.921806|10.048781|9.080649|5.798280|17.625644|8.839365|5.637490|0.152034|4.071680|5.938643|5.264108|3.001146|2.657065|4.813805|3.118099|2.022973|1.899787|1.673672|1.563272|1.616444|1.818488|2.004243|2.352388|3.314265|0.071608|0.060639|0.072589|11.019938|6.502184|3.961048|6.679437|3.230076|4.871397|5.817119|13.878136|0.098864|0.093053|0.118358|0.146407|0.500000| |4.733073|4.011386|4.302218|7.878752|9.010841|7.168983|17.569207|8.735161|7.362788|0.210663|4.630139|6.921551|5.370997|3.049043|2.751686|4.924921|3.283283|2.129937|2.047243|1.790638|1.688134|1.774536|2.025104|2.216233|2.661086|3.669710|0.077390|0.066198|0.082203|11.778702|9.402614|5.018200|7.637978|4.079924|5.797573|7.712789|9.157202|0.111986|0.091021|0.099930|0.215444|0.302346|0.500000| |4.227429|4.135992|4.971391|9.434504|7.463776|5.316060|8.853955|17.633364|8.785079|0.173969|6.679745|8.452895|9.324562|4.635012|4.102072|7.779514|4.419479|2.776765|2.511456|2.127720|1.932675|1.986941|2.290717|2.645393|3.251247|4.779606|0.109442|0.083973|0.104254|13.251051|9.154930|6.188551|12.218383|4.232737|6.462730|6.790351|12.992382|0.097818|0.095157|0.121999|0.132833|0.194377|0.177082|0.500000| |3.361302|3.241074|3.793535|6.948030|5.669767|4.224173|8.820090|17.566807|8.895392|0.218754|6.692652|8.540057|9.265595|4.562486|3.668457|6.425548|4.097850|2.523397|2.294991|1.982389|1.809279|1.847159|2.093877|2.382167|2.823772|3.907954|0.087211|0.069810|0.082996|12.576403|7.642235|4.573807|8.281537|3.394118|5.216347|5.729810|10.353549|0.080510|0.076716|0.096241|0.112479|0.232576|0.191149|0.304107|0.500000| |2.954208|2.915454|3.309465|5.422593|4.100547|3.427210|4.750489|7.635841|7.204976|0.154169|9.440844|11.018179|26.060630|9.158717|6.640436|11.690414|6.280269|3.604680|3.052564|2.529330|2.217244|2.221810|2.554880|3.076824|3.710296|5.263793|0.127233|0.091332|0.105917|15.020416|7.141886|5.116683|11.240177|3.626844|5.932288|5.632548|7.712112|0.072836|0.071458|0.086839|0.091316|0.118474|0.114226|0.250877|0.215503|0.500000| |2.186345|2.175138|2.393082|3.676560|2.729200|2.423714|3.039183|4.028589|4.189230|0.103962|5.802622|9.115296|12.601858|17.581868|9.031994|12.383485|8.540394|4.447742|3.443181|2.893866|2.436802|2.335019|2.599631|3.179588|3.489755|4.704568|0.112864|0.085076|0.088272|16.639550|4.699340|3.462324|7.246765|2.756857|4.768832|4.340292|5.187181|0.055797|0.055341|0.064753|0.065884|0.079773|0.077801|0.119213|0.119422|0.226685|0.500000| |2.141290|2.068964|2.220200|3.417981|2.646254|2.408738|3.010373|3.950345|4.633063|0.119853|7.266905|13.480710|12.581513|17.649530|8.788003|10.404253|10.217433|4.781720|3.906218|3.236645|2.732944|2.642582|2.976730|3.666368|4.021399|4.937064|0.113046|0.087566|0.092328|18.313739|5.186639|3.695891|7.340228|2.953937|5.059644|4.671777|4.667353|0.055368|0.052498|0.058888|0.067464|0.077549|0.080294|0.109331|0.114565|0.181180|0.301948|0.500000| |1.953825|1.883265|1.965029|2.914841|2.245986|2.132450|2.422854|2.971733|3.479212|0.089734|4.804501|10.000978|6.957608|7.430062|9.393691|10.873453|26.058275|9.012433|6.691763|5.152999|3.945941|3.628266|4.075816|5.434788|5.210755|5.889395|0.130989|0.107057|0.102070|24.844400|4.411983|3.384607|6.738149|2.906064|5.281742|4.511304|3.863952|0.051650|0.048668|0.052267|0.060122|0.061976|0.065637|0.084456|0.081690|0.118420|0.165679|0.238111|0.500000| |2.058642|2.025597|2.087120|2.978967|2.228617|2.158170|2.259703|2.682302|2.950870|0.073025|3.634408|6.729463|5.323384|4.780878|7.684886|14.677275|12.725205|17.651247|8.844885|6.045277|4.363227|3.965262|4.534822|6.499940|5.961304|8.606705|0.207549|0.174417|0.131530|26.487928|4.019093|3.393113|7.219213|3.054779|6.010136|4.569334|3.881088|0.054817|0.053331|0.056141|0.059497|0.057510|0.060006|0.080809|0.071055|0.103410|0.121266|0.119654|0.180228|0.500000| |1.768968|1.736942|1.794105|2.574402|1.931935|1.864392|1.996770|2.347259|2.588456|0.066237|3.199842|6.113004|4.686409|4.401519|6.114795|9.662482|12.526189|17.585086|8.966715|7.657804|4.920160|4.036044|4.211953|5.539495|4.556417|5.783250|0.127819|0.117036|0.096094|30.798567|3.443431|2.764457|5.584747|2.516872|4.811421|3.900111|3.392467|0.047278|0.045839|0.048478|0.051818|0.051595|0.053608|0.068779|0.063778|0.088579|0.115014|0.119868|0.213001|0.305334|0.500000| |1.575928|1.531729|1.553529|2.205423|1.670952|1.646976|1.715780|1.952444|2.169855|0.056864|2.567208|5.029482|3.555654|3.086586|3.808598|6.253656|6.904043|7.219243|8.918381|17.742684|8.973465|5.668946|4.995826|5.633192|4.040085|4.857200|0.098170|0.102822|0.083392|54.310694|2.970349|2.363283|4.551650|2.265103|4.383204|3.583619|2.866919|0.042815|0.040771|0.041820|0.046350|0.044435|0.046901|0.056121|0.052772|0.067443|0.080116|0.087626|0.138100|0.158626|0.241976|0.500000| |1.617658|1.526035|1.494604|2.097168|1.630863|1.676476|1.647929|1.798532|2.044901|0.054554|2.266616|4.527481|2.903136|2.279162|2.628148|4.508882|4.164314|3.532554|4.915582|5.646454|8.925227|17.754549|8.887880|5.603020|4.129027|4.671631|0.084182|0.100915|0.086644|53.549113|2.988233|2.388656|4.285480|2.517747|5.016173|4.089797|2.639642|0.045261|0.040830|0.039508|0.048457|0.042146|0.046359|0.050641|0.047369|0.055512|0.057579|0.064701|0.084554|0.090352|0.091771|0.124565|0.500000| |2.034959|1.881432|1.825374|2.577144|2.042752|2.130343|2.053178|2.258361|2.653704|0.069492|2.935862|5.972373|3.610382|2.748985|3.232096|5.621067|4.967054|4.041933|5.642682|4.993880|5.702334|8.983953|17.719915|8.941740|7.260181|7.203677|0.118184|0.149867|0.135149|31.699788|4.065396|3.381342|5.943030|3.715944|7.775384|5.800394|3.189649|0.057065|0.049754|0.047479|0.062360|0.051345|0.058076|0.063668|0.058000|0.068679|0.067228|0.076709|0.097950|0.106168|0.096300|0.108255|0.216161|0.500000| |2.582753|2.347157|2.286017|3.287214|2.662526|2.775354|2.682276|3.040564|3.756374|0.094186|4.220513|8.694030|4.916395|3.584654|4.299196|7.596931|6.156779|4.562500|5.542695|4.209624|4.049558|4.898490|7.600040|8.949321|17.682157|12.598300|0.184843|0.205460|0.249380|23.869237|6.104239|5.520696|9.582725|5.989656|12.988476|8.329570|4.017962|0.071286|0.060699|0.058420|0.081782|0.065096|0.075605|0.086316|0.075572|0.092684|0.084017|0.096977|0.116671|0.124321|0.101728|0.096251|0.116821|0.240289|0.500000| 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