Version2.1 2020-12-15T08:22:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-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[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3cccc(c3O)OC)C(=O)N(C2=O)c4ccc(cc4)Cl)C(=O)[O-] C19848604 RHF 6-31G(d) (6D,7F) CC(C)C[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3cccc(c3O)OC)C(=O)N(C2=O)c4ccc(cc4)Cl)C(=O)[O-] C01[X(C24H25Cl1N2O6)] 168 C1 549 COc1cccc(c1O)[C@@H]1[NH2+][C@@]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl)(CC(C)C)C(=O)[O-] COc1cccc(c1O)[C@@H]1[NH2+][C@@]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl)(CC(C)C)C(=O)[O-] COc1cccc([C@@H]2[NH2+][C@](CC(C)C)([C@@H]3[C@@H]2C(=O)N(C3=O)c4ccc(Cl)cc4)C([O-])=O)c1O InChIKey=BUGSYAXXPKZOBC-UAKAABGRSA-N InChI=1S/C24H25ClN2O6/c1-12(2)11-24(23(31)32)18-17(19(26-24)15-5-4-6-16(33-3)20(15)28)21(29)27(22(18)30)14-9-7-13(25)8-10-14/h4-10,12,17-19,26,28H,11H2,1-3H3,(H,31,32)/t17-,18+,19-,24+/m0/s1 InChI=1/C24H25ClN2O6/c1-12(2)11-24(23(31)32)18-17(19(26-24)15-5-4-6-16(33-3)20(15)28)21(29)27(22(18)30)14-9-7-13(25)8-10-14/h4-10,12,17-19,26,28H,11H2,1-3H3,(H,31,32)/t17-,18+,19-,24+/m0/s1/f/h26H CC(C)C[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3cccc(c3O)OC)C(=O)N(C2=O)c4ccc(cc4)Cl)C(=O)[O-] C01[X(C24H25Cl1N2O6)] 168 C01 549 COc1cccc(c1O)[C@@H]1[NH2+][C@@]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl)(CC(C)C)C(=O)[O-] CO[C]1[CH][CH][CH][C]([C]1O)[C@@H]1[NH2][C@@]([C@@H]2[C@@H]1C(=O)N(C2=O)[C]1[CH][CH][C]([CH][CH]1)Cl)(CC(C)C)[C]([O])=O CO[C]1[CH][CH][CH][C]([C]1O)[C@@H]2[NH2][C@](CC(C)C)([C@@H]3[C@@H]2C(=O)N([C]4[CH][CH][C](Cl)[CH][CH]4)C3=O)C([O])=O InChIKey=JFDZPAYMMUFMHP-UAKAABGRSA-N InChI=1S/C24H25ClN2O6/c1-12(2)11-24(23(31)32)18-17(19(26-24)15-5-4-6-16(33-3)20(15)28)21(29)27(22(18)30)14-9-7-13(25)8-10-14/h4-10,12,17-19,28H,11,26H2,1-3H3/t17-,18+,19-,24+/m0/s1 InChI=1/C24H25ClN2O6/c1-12(2)11-24(23(31)32)18-17(19(26-24)15-5-4-6-16(33-3)20(15)28)21(29)27(22(18)30)14-9-7-13(25)8-10-14/h4-10,12,17-19,28H,11,26H2,1-3H3/t17-,18+,19-,24+/m0/s1 3677.6258109395 -1940.9343169 1-A 17812.3356 124 425 549 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.83031 -20.61181 -20.59179 -20.58991 -20.57582 -20.49503 -20.48190 -15.69316 -15.64527 -11.40875 -11.39509 -11.34207 -11.32805 -11.32778 -11.31690 -11.31620 -11.31084 -11.30095 -11.29835 -11.29178 -11.28731 -11.28474 -11.26961 -11.26832 -11.26144 -11.25948 -11.25694 -11.25666 -11.25509 -11.25200 -11.24144 -11.22829 -11.22050 -10.56371 -8.03311 -8.02975 -8.02973 -1.46150 -1.44819 -1.43900 -1.40777 -1.39100 -1.34067 -1.31078 -1.27995 -1.20330 -1.18727 -1.16123 -1.12295 -1.11787 -1.08584 -1.05131 -1.04617 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113.4701 130.0614 146.0154 162.9272 171.4024 182.9231 189.5141 210.7606 221.7090 251.3505 257.0765 265.2896 280.4517 291.5109 297.2761 301.3461 315.5114 339.8232 354.3770 366.2309 382.0490 388.2540 416.7765 439.5444 448.4570 459.8465 460.9088 467.8899 489.8675 508.1542 534.9109 551.9161 567.8532 582.1453 584.7940 610.1834 615.9715 652.9182 657.8298 684.5535 694.2150 725.4882 739.3394 770.2902 776.7084 780.0939 793.7619 814.8533 847.0298 865.1361 870.8271 884.2579 896.4809 901.3145 908.6144 934.9743 940.5676 954.3224 957.9300 982.0274 1000.1850 1014.3162 1021.1593 1043.9912 1053.8072 1058.5813 1079.6465 1083.6313 1092.3625 1099.3535 1115.9089 1125.5354 1170.8200 1194.0586 1201.3401 1206.8013 1211.4484 1224.0252 1228.3828 1236.6911 1244.7208 1264.4940 1272.7214 1285.2844 1293.6894 1301.1271 1303.3488 1308.3429 1324.8037 1333.9611 1335.7196 1356.0464 1365.6782 1393.5768 1401.6307 1431.9021 1436.4655 1452.5932 1453.5742 1459.8965 1470.6621 1485.8939 1503.9567 1506.8645 1511.7633 1530.1401 1537.4125 1548.8982 1560.6027 1566.2209 1569.8685 1575.0053 1579.8021 1620.1677 1626.9269 1637.0145 1643.9390 1650.0429 1651.3034 1651.9098 1657.7194 1666.3383 1673.5511 1678.1548 1778.0238 1782.7995 1790.1317 1802.7077 1807.1837 1974.4685 1989.5465 2082.1654 3166.8589 3173.3850 3179.1035 3195.1472 3211.4516 3223.6278 3236.8795 3240.9434 3253.5675 3263.2398 3272.9782 3275.9049 3275.9588 3287.5149 3339.5840 3340.0927 3367.1810 3386.7085 3397.8553 3399.7087 3413.5672 3413.6574 3414.9017 3781.5176 3973.9013 7.2554 4.7929 5.6229 4.2359 4.7919 3.5716 5.9984 5.5026 4.5994 5.5676 5.1315 7.0876 10.3168 10.7176 7.0000 6.1812 4.2396 6.2071 6.8200 2.4619 1.2783 2.7301 3.2921 3.2476 1.7221 2.0135 4.7623 1.7277 4.9261 4.1893 4.4611 5.1305 5.2223 3.0927 2.3085 1.8992 2.0057 2.9222 2.2067 5.4638 6.3487 4.8003 7.0590 5.4272 3.6454 3.5880 4.9763 3.9937 6.2496 4.3706 5.3152 6.8405 5.6646 7.6040 4.9629 5.0273 4.1695 4.0211 3.1165 2.6707 4.6149 2.3600 3.5938 4.4270 4.9989 4.5257 1.3531 1.9841 2.0465 4.0474 2.3772 1.6163 1.4533 1.8723 2.1942 1.5801 3.0402 1.8640 2.1972 1.3079 1.3884 3.4696 3.3122 2.8644 2.1222 2.3801 3.1978 2.6819 3.3107 3.0698 3.8882 2.9069 1.9091 2.7660 2.7870 1.2665 1.6746 1.2062 1.6657 1.9793 1.5975 1.7303 1.6317 3.5460 1.5173 1.5213 1.4872 1.3193 1.3290 1.4740 2.2758 1.6983 1.8685 1.9499 1.6386 1.4683 1.8104 2.2644 1.5594 1.4231 2.6032 1.5929 1.2648 1.9189 1.0995 1.3178 1.0544 1.0499 1.7659 1.2199 1.0509 1.0934 1.0499 2.9413 2.4340 6.8721 2.9347 1.3519 6.5006 5.4655 8.7350 12.3215 13.0349 1.0704 1.0564 1.0806 1.0423 1.0347 1.0837 1.0830 1.0774 1.0907 1.0922 1.0970 1.1069 1.0990 1.1011 1.0891 1.1018 1.0878 1.0947 1.0906 1.0913 1.0940 1.0967 1.0973 1.0779 1.0663 0.0022 0.0028 0.0040 0.0037 0.0056 0.0065 0.0156 0.0184 0.0169 0.0265 0.0279 0.0538 0.1028 0.1346 0.1095 0.1070 0.0836 0.1313 0.1785 0.0713 0.0476 0.1063 0.1365 0.1505 0.0862 0.1048 0.2548 0.1013 0.3352 0.3100 0.3525 0.4412 0.4638 0.3165 0.2628 0.2250 0.2499 0.3658 0.2846 0.7725 0.9659 0.8092 1.2669 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2.2611 4.2213 12.8718 3.0841 0.1941 0.8864 3.9801 0.5476 2.2138 15.2480 8.2971 5.8022 4.7519 8.9622 6.8181 5.5243 9.7794 83.5517 5.7967 52.8963 19.3035 1.3759 151.4267 9.1436 12.3861 20.4671 12.4453 9.5585 0.9661 11.6698 6.9932 6.2015 8.0622 2.2549 9.4802 0.6690 18.9011 1.5196 14.2681 5.2450 1.0081 14.8976 2.5360 66.5525 17.1651 7.1904 16.2666 27.4461 19.3394 86.5990 12.3731 64.0991 41.7212 2.8690 32.4038 4.4920 14.8585 8.9642 9.8002 0.5364 20.4651 4.4045 20.7266 2.1341 1.5102 29.6656 12.3771 10.6698 1.0786 8.6880 85.0913 26.5333 48.9045 65.0378 5.8713 132.5183 6.1290 5.2460 45.2859 3.3412 5.6598 9.4792 14.4594 43.1149 31.2559 35.3514 26.1003 100.3412 3.7905 7.9766 165.5235 33.6745 16.6533 95.3773 179.6089 109.6588 76.0744 69.2907 82.0278 15.0784 337.2989 212.4409 21.1442 19.4640 4.2276 95.8999 14.5504 26.6483 7.7108 54.4400 2.1093 6.0734 11.3480 0.4416 6.4529 44.9898 16.3053 133.0008 220.0705 0.4714 99.6239 86.8140 8.1568 0.4037 183.4041 765.2722 191.2231 9.0140 39.5396 13.9662 38.7415 55.7284 3.0155 108.1047 358.9152 11.8495 37.5351 63.4307 28.6514 50.3394 43.7934 0.3788 32.0707 6.2688 18.6717 5.7907 0.8810 9.4695 4.7738 0.2911 44.6959 338.9404 1.9833 0.7038 2.4949 5.2951 1.5551 0.9777 2.5011 1.1218 0.6821 0.6083 0.5117 0.8808 0.2050 0.1345 0.9721 0.5911 1.0835 1.3092 1.7449 3.5347 0.7467 1.2728 0.6649 0.9670 0.5252 1.0235 0.7553 1.1459 1.2114 2.2531 0.4885 2.1042 2.4801 3.4611 1.0125 1.7376 0.9668 0.2057 4.5543 1.1689 1.0446 2.5824 2.3203 1.2415 0.4225 0.9330 1.1829 0.6418 12.1869 1.1843 4.6498 7.0453 3.1821 6.1526 7.0238 3.1845 1.8917 2.1811 3.0846 3.2056 10.6610 3.1649 7.6038 1.7581 11.0632 2.9574 2.5284 2.0551 2.8362 1.6821 1.4859 2.4861 0.2810 4.9952 7.5318 4.0570 4.2600 4.6645 8.7672 1.1100 0.1806 0.1130 3.9023 3.9256 0.2426 10.8987 12.2146 1.4633 17.2430 4.3289 8.2508 8.5093 1.8035 12.4802 1.6752 4.8204 6.0375 5.8743 2.6327 5.7975 4.5123 2.6979 2.4339 2.7522 2.8914 7.2977 0.7369 4.9744 2.4611 1.5060 16.8245 1.9034 8.7619 2.3550 20.5043 8.4823 6.5564 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6 8 8 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 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 13627.8983 20786.4170 30614.4874 0.99934 0.03448 -0.01134 -0.03452 0.99940 -0.00334 0.01121 0.00373 0.99993 1 0.00636 0.00417 0.00283 0.13243 0.08682 0.05895 32.35 44.93 49.95 55.13 64.36 79.89 95.48 108.26 113.77 129.24 138.20 163.26 187.13 210.08 234.42 246.61 263.19 272.67 303.24 318.99 361.64 369.88 381.69 403.51 419.42 427.71 433.57 453.95 488.93 509.87 526.92 549.68 558.61 599.65 632.41 645.23 661.62 663.14 673.19 704.81 731.12 769.62 794.08 817.01 837.58 841.39 877.92 886.25 939.40 946.47 984.92 998.82 1043.82 1063.74 1108.28 1117.51 1122.38 1142.05 1172.39 1218.69 1244.74 1252.93 1272.25 1289.84 1296.79 1307.29 1345.22 1353.27 1373.06 1378.25 1412.92 1439.04 1459.37 1469.22 1502.07 1516.19 1523.06 1553.37 1559.10 1571.67 1581.72 1605.54 1619.39 1684.55 1717.98 1728.46 1736.32 1743.00 1761.10 1767.37 1779.32 1790.88 1819.32 1831.16 1849.24 1861.33 1872.03 1875.23 1882.41 1906.10 1919.27 1921.80 1951.05 1964.91 2005.05 2016.63 2060.19 2066.75 2089.96 2091.37 2100.47 2115.95 2137.87 2163.86 2168.04 2175.09 2201.53 2211.99 2228.52 2245.36 2253.44 2258.69 2266.08 2272.98 2331.06 2340.78 2355.30 2365.26 2374.04 2375.86 2376.73 2385.09 2397.49 2407.87 2414.49 2558.18 2565.05 2575.60 2593.69 2600.13 2840.82 2862.51 2995.77 4556.40 4565.79 4574.02 4597.10 4620.56 4638.08 4657.15 4662.99 4681.16 4695.07 4709.09 4713.30 4713.37 4730.00 4804.92 4805.65 4844.62 4872.72 4888.76 4891.42 4911.36 4911.49 4913.28 5440.76 5717.56 0.499155 0.527524 0.528468 0.438249 -1940.435162 -1940.406793 -1940.405849 -1940.496068 3.025960D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE CC(C)C[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3cccc(c3O)OC)C(=O)N(C2=O)c4ccc(cc4)Cl)C(=O)[O-] C19848604 RHF 6-31G(d) (6D,10F) C1 472.140115 |X|Y|Z| 80.973016 100.192371 34.887327 65.656978 20 6 7 18 2 |36.858105| |12.431793|36.858105| |7.568455|12.428779|36.858105| |7.629080|12.379362|7.394683|36.858105| |4.853426|7.230523|5.911284|12.457057|36.858105| |3.784651|4.797667|4.092399|7.454325|12.536533|36.858105| |3.777064|4.549849|3.955070|7.108099|8.956800|17.469937|0.500000| |3.050572|3.815334|3.569833|5.063649|8.034886|12.608047|0.249856|36.858105| |2.941479|3.721111|3.491311|4.660751|7.387223|8.962992|0.175560|17.521663|0.500000| |3.120763|3.963475|4.037088|5.028421|7.474728|8.016388|0.205555|12.451044|0.248737|36.858105| |2.792379|3.507561|3.705320|4.131323|5.773564|5.777650|0.145750|8.774520|0.225798|17.688995|0.500000| |4.038507|5.677194|5.923091|7.365539|12.272661|8.201554|0.201582|8.210357|0.200538|12.521058|0.251225|53.358707| |3.854642|5.514308|6.083724|6.223827|9.567014|6.349571|0.149795|6.805490|0.194945|9.084730|0.240097|25.057125|0.500000| |4.297310|5.917773|6.821018|7.219893|8.787982|6.360450|0.177588|6.017960|0.146304|8.988693|0.197514|25.830674|0.317621|0.500000| |2.878343|3.442302|3.550989|4.293991|5.344642|6.040427|0.189757|7.378817|0.152927|12.571262|0.249045|10.194781|0.158771|0.204307|36.858105| |3.142953|3.638055|3.757775|4.561483|5.025701|5.404133|0.188469|5.408165|0.118198|7.390621|0.158621|8.768692|0.135916|0.204938|13.657717|36.858105| |2.695413|2.968542|3.071059|3.537603|3.709682|4.015018|0.135781|4.044558|0.092708|4.982890|0.118666|5.994365|0.101096|0.136580|7.941356|13.818106|36.858105| |2.272314|2.495357|2.580863|2.908332|3.136610|3.462346|0.111620|3.705313|0.086612|4.436616|0.112109|5.028369|0.088397|0.109067|6.848967|7.921071|13.734182|36.858105| |2.163910|2.426065|2.506839|2.831236|3.203566|3.607254|0.111733|4.177362|0.097592|5.055741|0.133138|5.243648|0.093604|0.108684|7.876363|6.837423|7.933564|13.747685|36.858105| |2.380346|2.760134|2.849136|3.291372|3.961169|4.539086|0.136720|5.790743|0.129799|7.751473|0.202463|6.864413|0.119956|0.135880|13.751513|7.927712|6.893515|7.926625|13.609783|36.858105| |2.177785|2.538296|2.612915|2.963198|3.655401|4.162742|0.116521|5.760259|0.139162|7.002767|0.217261|6.178999|0.115391|0.116261|8.039506|5.232953|4.624382|5.231178|7.987519|14.043301|73.516695| |1.883911|2.089795|2.153878|2.387498|2.686413|3.005430|0.090084|3.502556|0.085363|3.992061|0.110637|4.265693|0.079043|0.086955|5.289825|4.621833|5.207896|7.886080|14.231538|8.210951|12.741022|73.516695| |1.718527|1.868315|1.924803|2.101268|2.294054|2.526965|0.076041|2.820780|0.069988|3.135051|0.086269|3.550013|0.066440|0.073469|3.978617|3.790962|4.516589|6.725885|8.030390|5.257266|8.348312|24.164692|36.858105| |2.579368|3.040418|2.821599|3.889968|5.199378|8.086468|0.198116|12.641136|0.256239|6.932144|0.161826|6.863513|0.122995|0.116784|5.860055|4.557966|3.745307|3.627792|4.182597|5.459108|10.091240|6.511561|2.953236|36.858105| |2.244350|2.590541|2.467820|3.177108|4.011555|5.455963|0.145157|7.783736|0.181526|5.746906|0.146697|5.627675|0.103670|0.099933|5.423838|4.178259|3.637278|3.748166|4.562782|5.838136|11.805298|7.467394|3.308784|15.984585|73.516695| |2.679327|3.095942|2.746680|4.023149|5.106268|8.271742|0.197799|8.320396|0.198362|5.111038|0.120390|5.942374|0.107947|0.103402|4.455870|3.871438|3.265631|3.086604|3.355957|4.039830|7.163909|5.305983|2.524609|13.729793|14.748176|53.358707| |3.292051|3.875614|3.244301|5.415352|6.924208|12.620779|0.258583|8.043199|0.195188|5.179036|0.117726|6.830615|0.121835|0.117644|4.355855|4.001647|3.272478|2.948793|3.078826|3.675032|6.257864|4.765617|2.304024|8.100332|9.718828|18.294819|36.858105| |3.368195|3.795230|3.069555|5.107178|5.671554|7.776802|0.185328|5.421412|0.141701|3.995834|0.094520|5.568548|0.102608|0.100042|3.500712|3.365761|2.852231|2.571008|2.627538|3.019897|5.143365|4.134502|2.048025|5.493568|7.450024|11.270712|16.180019|73.516695| |2.308306|2.571942|2.297446|3.181336|3.738200|5.174563|0.134321|5.190009|0.134638|3.739034|0.092867|4.476320|0.083846|0.080968|3.454294|3.108940|2.769656|2.690956|2.904209|3.310647|5.971367|4.778197|2.338459|7.677872|11.742034|18.143910|7.633183|11.820042|36.858105| |2.084935|2.275972|2.070567|2.768802|3.140140|4.172027|0.116648|4.248502|0.107131|3.326929|0.083418|3.929759|0.073192|0.073132|3.280655|3.009512|2.792805|2.785792|2.996892|3.274295|5.832677|5.030905|2.500077|6.140661|11.006508|10.628626|5.352194|8.618777|13.764673|36.858105| |1.847615|1.982616|1.812667|2.342014|2.585894|3.236500|0.090083|3.273321|0.085575|2.686751|0.069032|3.256716|0.061786|0.061444|2.659722|2.483635|2.358099|2.375980|2.529374|2.688425|4.836659|4.358855|2.228624|4.311597|7.934244|6.997398|4.010900|6.903025|7.950930|13.768484|36.858105| |1.789654|1.914628|1.739412|2.227048|2.446543|2.977818|0.080558|2.981164|0.080731|2.444413|0.063552|3.034787|0.058535|0.057045|2.355830|2.202046|2.071676|2.066340|2.191827|2.350243|4.276724|3.779968|1.941011|3.747505|6.672642|6.202316|3.749023|6.738633|6.923474|7.979464|13.780711|36.858105| |1.924056|2.079445|1.866075|2.423137|2.695864|3.278882|0.085604|3.250018|0.090519|2.590154|0.067329|3.261763|0.063486|0.060466|2.414013|2.237370|2.059970|2.024435|2.151829|2.359786|4.322639|3.664211|1.860277|4.014753|6.804978|7.011705|4.316740|7.961732|7.951360|6.866960|7.912616|13.776925|36.858105| |2.194484|2.423907|2.150139|2.902775|3.341072|4.260905|0.107305|4.199751|0.117415|3.149899|0.080517|3.938326|0.076068|0.071489|2.850742|2.599018|2.331380|2.261302|2.419937|2.728912|4.995496|4.040686|2.011157|5.369654|8.479403|10.675836|6.139994|10.965717|13.758540|7.929940|6.865665|7.978375|13.771855|36.858105| |1.556707|1.640971|1.505183|1.862458|2.003630|2.343500|0.063953|2.345337|0.064075|2.001729|0.052789|2.520929|0.049117|0.048046|1.950945|1.847966|1.769113|1.777312|1.868610|1.963369|3.572791|3.272585|1.717027|2.805061|5.070129|4.378337|2.807260|5.112455|4.239835|4.774786|7.045952|10.938275|7.042812|4.773913|448.794386| |4.276946|6.242897|5.273053|7.357693|12.078578|7.394150|0.151024|6.415896|0.208710|5.659562|0.141866|10.530269|0.244099|0.163430|4.044565|3.664965|2.899861|2.575022|2.691703|3.283848|5.758521|4.178587|2.025556|4.506636|6.397760|6.136936|5.741127|8.984302|3.478063|2.861536|2.422301|2.366711|2.677745|3.310106|15.720090|36.858105| |3.765239|5.362096|5.278804|5.588730|8.072440|5.566892|0.123257|5.678779|0.191449|5.673969|0.156882|10.468769|0.311455|0.164653|3.979081|3.515521|2.805774|2.529675|2.681067|3.294826|5.921420|4.197695|2.027485|4.031793|6.007052|5.163433|4.389222|6.867281|3.021365|2.557173|2.194922|2.141319|2.389179|2.879765|14.456464|15.357746|73.516695| |4.098861|5.468634|4.336618|6.297250|8.115094|6.414427|0.134326|5.321708|0.171570|4.397208|0.111244|7.274677|0.156879|0.122450|3.383512|3.133713|2.567700|2.307506|2.398214|2.849472|5.031976|3.785667|1.860176|4.193706|5.982120|6.198285|6.036374|10.377795|3.641899|2.925083|2.507373|2.507669|2.912818|3.631097|16.611738|15.756833|15.099901|73.516695| |17.513154|8.749181|6.836666|6.849691|4.473264|3.642465|0.105530|2.957523|0.077432|3.093385|0.076315|5.343390|0.101013|0.120701|2.965932|3.366128|2.926321|2.420312|2.256094|2.444119|3.902556|3.464445|1.789401|2.528389|3.948739|3.538246|3.138281|5.634861|2.247190|2.064803|1.828444|1.751736|1.858122|2.105871|12.264885|3.742845|5.972260|6.262860|0.500000| |17.558154|8.784447|6.927816|5.517650|3.994602|3.179522|0.087189|2.672878|0.072823|2.754105|0.070173|4.749122|0.095685|0.102861|2.544473|2.741139|2.396632|2.055544|1.966677|2.147767|3.535491|3.080887|1.591700|2.285861|3.588584|3.207211|2.819674|5.128017|2.062676|1.873977|1.680798|1.639318|1.760421|1.984490|11.581279|3.758427|6.135912|6.454846|0.301693|0.500000| |17.556323|8.754671|5.488698|7.014857|4.594622|3.773711|0.104194|2.979766|0.079992|2.931272|0.072621|4.974576|0.096369|0.104325|2.705591|2.925445|2.536741|2.162529|2.067289|2.265832|3.709740|3.222650|1.658341|2.579299|3.971671|3.752498|3.447909|6.534781|2.404374|2.160324|1.923002|1.876277|2.028743|2.310718|13.092324|4.123578|6.240528|7.452400|0.301181|0.301882|0.500000| |8.934720|17.561312|8.922995|8.934298|6.702358|4.527406|0.113463|3.694788|0.104538|3.693633|0.093218|6.941079|0.147153|0.137872|3.116848|3.167383|2.620907|2.263089|2.241297|2.562142|4.300549|3.486897|1.752958|2.965458|4.488221|4.161462|3.829761|6.788890|2.562703|2.235210|1.961358|1.921750|2.116573|2.471379|13.244584|7.130695|10.689015|11.739751|0.173573|0.214210|0.213299|0.500000| |6.691065|8.728628|17.473747|6.781903|5.428553|3.999923|0.112827|3.514077|0.092321|4.132944|0.103874|8.029436|0.155967|0.210897|3.848691|4.296319|3.507981|2.863719|2.714690|3.042897|4.821501|4.084283|2.060139|2.807890|4.412057|3.671604|3.134711|5.218283|2.259673|2.069976|1.807778|1.715147|1.817097|2.083047|11.931084|4.462055|7.895650|6.607498|0.197205|0.165243|0.137841|0.173329|0.500000| |5.496472|8.731262|17.578365|6.530669|6.306001|4.245503|0.109974|3.897679|0.108742|4.541498|0.119501|9.502689|0.225518|0.213395|3.786834|3.806504|3.062782|2.621839|2.610387|3.037544|5.047785|3.998349|1.984712|2.990395|4.650144|3.871652|3.304866|5.428675|2.355842|2.107555|1.838419|1.766025|1.902859|2.205514|12.226495|6.071645|12.047324|8.282307|0.138507|0.143042|0.122636|0.217177|0.298477|0.500000| |7.095232|8.802240|17.564930|5.435780|4.494479|3.343916|0.090024|2.985654|0.082310|3.310261|0.086749|6.093277|0.130749|0.138493|2.976044|3.137486|2.666538|2.285563|2.217663|2.473237|4.085245|3.445609|1.754813|2.440115|3.856877|3.257430|2.779373|4.767585|2.048628|1.860435|1.651703|1.596590|1.709697|1.943504|11.226010|4.311527|7.844069|6.648532|0.175457|0.214287|0.143172|0.210091|0.302787|0.304341|0.500000| |6.989567|8.794282|6.671868|17.465437|8.847324|6.790134|0.212627|4.776275|0.116147|5.011799|0.112140|9.394004|0.152087|0.211431|4.687755|5.455733|4.174010|3.274880|3.080074|3.510718|5.402723|4.524685|2.250759|3.793410|5.616820|5.235572|4.940127|8.174207|3.076406|2.762731|2.331495|2.178971|2.321230|2.743239|14.690092|5.413350|8.005522|8.380327|0.206576|0.141447|0.174563|0.174168|0.199146|0.158491|0.139323|0.500000| |7.158455|8.910876|5.466838|17.575886|9.157024|7.155960|0.187322|4.677081|0.121249|4.276958|0.099357|7.520646|0.135224|0.145319|3.731141|3.919157|3.172004|2.666290|2.601828|2.976898|4.835273|3.964694|1.980666|3.829779|5.526830|5.753997|6.056141|11.180224|3.402360|2.918455|2.477671|2.380629|2.620022|3.154676|15.895962|6.595974|8.575374|11.751243|0.173107|0.144953|0.218311|0.217376|0.139564|0.136679|0.123468|0.303854|0.500000| |3.791062|4.426907|4.531653|5.752848|5.853843|5.814572|0.208030|5.185115|0.115929|6.714278|0.142919|9.788472|0.146309|0.252639|8.817376|17.728143|9.001249|5.656768|4.934892|5.624458|7.484567|6.517619|3.136284|4.208107|6.595641|5.145916|4.167000|6.359263|3.024318|2.868372|2.385059|2.146360|2.206991|2.572412|14.492797|4.012072|6.680112|6.053025|0.115335|0.089439|0.096254|0.102542|0.149534|0.122840|0.101874|0.210297|0.131053|0.500000| |2.731022|2.909968|3.003011|3.398630|3.378386|3.564102|0.120096|3.435417|0.080754|4.052482|0.098078|5.228016|0.089894|0.121048|5.646788|8.950772|17.727816|8.941379|5.652327|4.963470|6.520333|7.463007|3.913696|3.204929|5.487995|3.965543|2.983665|4.759327|2.524112|2.555381|2.196386|1.944219|1.928633|2.158121|13.488641|2.666856|4.558166|4.258511|0.084286|0.067556|0.071337|0.070670|0.096782|0.081056|0.073376|0.113745|0.085461|0.217787|0.500000| |2.073691|2.231147|2.304020|2.549069|2.687012|2.932782|0.093239|3.082484|0.073913|3.550197|0.091710|4.182672|0.075243|0.090636|4.943649|5.655540|8.949629|17.768501|8.896813|5.632014|7.491953|12.523041|7.466166|3.078153|5.704538|3.671661|2.579491|4.085664|2.421846|2.546426|2.222267|1.936737|1.878328|2.062889|13.589608|2.255299|3.941467|3.646202|0.061590|0.052585|0.055081|0.056493|0.070818|0.064456|0.057600|0.079325|0.065808|0.124872|0.216965|0.500000| |2.124650|2.461927|2.473761|2.907462|3.606325|4.311293|0.119290|6.123671|0.147498|6.367820|0.185403|5.745985|0.107329|0.105827|6.800917|4.694131|4.182895|4.674482|6.718146|9.984973|35.441617|11.348595|4.386911|6.897515|16.587211|6.292439|3.807333|5.496526|3.877396|3.817095|3.104878|2.706260|2.721748|3.168564|17.844223|3.229585|5.769444|5.125370|0.059161|0.053757|0.057262|0.065757|0.070525|0.074071|0.060610|0.082066|0.075666|0.107967|0.094265|0.107520|0.500000| |1.716570|1.858210|1.940461|2.063401|2.223704|2.392535|0.072021|2.631925|0.065736|2.992478|0.082745|3.476090|0.065331|0.073248|3.795952|3.745485|4.582010|6.728292|7.067178|4.777814|7.434961|16.436424|17.565154|2.672040|5.174242|3.146272|2.156518|3.432857|2.127366|2.240427|2.007322|1.771510|1.712244|1.851368|12.661546|1.963061|3.517706|3.190335|0.049940|0.044361|0.045689|0.048197|0.058210|0.055441|0.049368|0.061731|0.053625|0.086872|0.113029|0.223328|0.105471|0.500000| |1.718333|1.848922|1.880536|2.094444|2.258396|2.520735|0.076974|2.748896|0.067675|2.977149|0.079930|3.417237|0.063414|0.070769|3.774787|3.732961|4.574614|6.721706|7.022882|4.743025|7.349905|16.429114|17.562592|2.932457|5.807236|3.482008|2.332573|3.711546|2.399956|2.618335|2.342355|2.015091|1.908255|2.050272|14.331437|1.978196|3.471483|3.259937|0.049918|0.044045|0.046364|0.048063|0.055962|0.053302|0.047632|0.062760|0.055368|0.086693|0.113080|0.225126|0.111457|0.298655|0.500000| |1.584107|1.719942|1.768863|1.917274|2.099180|2.304189|0.068118|2.589766|0.065487|2.821781|0.079074|3.215885|0.061136|0.065842|3.411738|3.186067|3.621329|4.906654|5.899470|4.423007|7.631567|17.016119|17.659123|2.742232|5.538515|3.209689|2.134874|3.394298|2.220665|2.381589|2.158088|1.891206|1.805487|1.932069|13.575091|1.890247|3.380422|3.107406|0.045502|0.040998|0.042608|0.045246|0.052063|0.050866|0.045107|0.056335|0.050517|0.075127|0.089059|0.145972|0.113981|0.299945|0.299983|0.500000| 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