Version2.1 2020-12-17T05:01:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)Nc3ccccc3OC C09706096 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)Nc3ccccc3OC C01[X(C24H29N4O5)] 180 C1 553 COc1ccccc1NC(=O)c1oc2c(c1NC(=O)C(=O)NCC[NH+](CC)CC)cccc2 COc1ccccc1NC(=O)c1oc2c(c1NC(=O)C(=O)NCC[NH+](CC)CC)cccc2 CC[NH+](CC)CCNC(=O)C(=O)Nc1c(oc2ccccc12)C(=O)Nc3ccccc3OC InChIKey=ZQEVLXCHNVUBTM-UHFFFAOYSA-O InChI=1S/C24H28N4O5/c1-4-28(5-2)15-14-25-23(30)24(31)27-20-16-10-6-8-12-18(16)33-21(20)22(29)26-17-11-7-9-13-19(17)32-3/h6-13H,4-5,14-15H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/p+1 InChI=1/C24H28N4O5/c1-4-28(5-2)15-14-25-23(30)24(31)27-20-16-10-6-8-12-18(16)33-21(20)22(29)26-17-11-7-9-13-19(17)32-3/h6-13H,4-5,14-15H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/p+1/fC24H29N4O5/h25-28H/q+1 CC[NH+](CC)CCNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)Nc3ccccc3OC C01[X(C24H29N4O5)] 180 C01 553 COc1ccccc1NC(=O)c1oc2c(c1NC(=O)C(=O)NCC[NH+](CC)CC)cccc2 CC[NH](CCNC(=O)[C]([NH][C]1=C(O[C]2[C]1[CH][CH][CH][CH]2)C(=O)N[C]1[CH][CH][CH][CH][C]1OC)=O)CC CC[NH](CC)CCNC(=O)C(=O)NC1=C(O[C]2[CH][CH][CH][CH][C]12)C(=O)N[C]3[CH][CH][CH][CH][C]3OC InChIKey=GBZJHUFFKMDIKB-UHFFFAOYSA-N InChI=1S/C24H29N4O5/c1-4-28(5-2)15-14-25-23(30)24(31)27-20-16-10-6-8-12-18(16)33-21(20)22(29)26-17-11-7-9-13-19(17)32-3/h6-13,28H,4-5,14-15H2,1-3H3,(H,25,30)(H,26,29)(H,27,31) InChI=1/C24H29N4O5/c1-4-28(5-2)15-14-25-23(30)24(31)27-20-16-10-6-8-12-18(16)33-21(20)22(29)26-17-11-7-9-13-19(17)32-3/h6-13,28H,4-5,14-15H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/f/h25-27H 3243.6532396212 -1517.6784514 1-A 23632.9763 120 433 553 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.70348 -20.66540 -20.65202 -20.64486 -20.60301 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1436.2841 1438.5884 1443.2525 1448.9899 1474.6342 1482.0096 1499.2470 1526.0364 1544.5794 1548.2412 1571.4725 1577.3672 1582.4985 1586.0691 1601.9136 1614.9375 1619.6043 1632.0760 1635.7960 1637.2766 1637.8325 1639.5348 1640.8350 1647.5392 1649.4854 1656.8017 1657.7426 1659.7081 1668.5683 1669.0912 1688.4610 1733.4714 1759.0652 1774.6048 1804.2191 1812.6573 1816.8300 1857.3077 1895.5859 1947.6423 1976.8525 3218.8907 3220.5334 3221.6972 3242.3388 3282.4000 3282.9374 3289.8134 3289.9010 3292.5609 3296.8033 3307.0137 3308.5958 3311.8890 3337.4516 3348.9397 3360.5007 3369.3602 3371.1995 3374.1645 3387.7841 3390.1356 3407.2254 3410.6345 3461.1525 3462.0455 3690.3668 3723.6950 3860.5924 3863.3286 3.9299 4.2932 4.9028 4.4000 6.2338 5.7027 5.2781 5.4228 4.3372 3.3667 6.4985 3.4375 2.9723 2.9168 7.9204 2.8178 4.7814 4.7951 2.2455 2.7793 2.8557 1.4151 5.1142 3.3242 2.3790 1.4771 4.2276 4.0698 2.9918 2.6994 2.4459 3.5352 4.0906 5.5541 5.2884 8.4872 3.6613 3.2256 2.8725 2.9149 3.2860 6.6168 5.3840 5.9321 6.4192 3.3644 3.8200 2.1958 3.8859 5.2228 2.4623 7.6229 6.9866 5.1050 1.1994 2.3796 3.7858 3.0991 5.8484 4.4502 3.6157 1.2706 1.4370 1.4101 3.5150 1.2066 1.4911 2.9814 6.2627 2.5144 2.9145 4.1013 3.2007 1.4078 1.4111 4.2928 2.9712 1.3579 5.8637 2.6546 1.3643 3.0722 1.2994 2.2828 2.4809 1.3473 2.8377 1.5648 4.1179 3.8244 1.7383 3.1953 2.6541 1.6935 1.8189 1.7868 2.1270 1.6989 1.2631 1.8405 1.7994 2.5397 2.3151 1.6787 2.6709 2.2115 2.3192 1.3762 1.6052 1.8020 1.6753 2.0348 1.8104 1.3604 1.1912 2.2473 1.2247 1.1994 1.2453 3.3664 1.2097 1.2353 1.2490 1.2937 1.2750 1.6835 2.3573 1.0486 1.0508 1.0819 1.6466 1.0976 1.0725 2.8626 1.0474 1.0870 1.1580 1.0867 1.6893 1.1137 2.2238 2.8150 2.9434 6.0071 5.7845 5.6808 4.0487 4.1041 8.1032 9.7151 11.6552 1.0399 1.0330 1.0397 1.0640 1.0750 1.0837 1.1083 1.0940 1.0821 1.1016 1.0822 1.1012 1.0839 1.1036 1.1080 1.1077 1.0884 1.1111 1.0893 1.0954 1.0936 1.0972 1.0941 1.0932 1.0937 1.0779 1.0795 1.0778 1.0799 0.0002 0.0004 0.0010 0.0015 0.0046 0.0066 0.0075 0.0143 0.0131 0.0105 0.0271 0.0176 0.0156 0.0193 0.0678 0.0265 0.0637 0.0892 0.0544 0.0715 0.0781 0.0406 0.1599 0.1235 0.1003 0.0653 0.2055 0.2208 0.1745 0.1631 0.1649 0.2527 0.3052 0.4222 0.5610 0.9237 0.4149 0.4365 0.3924 0.4043 0.5056 1.1177 0.9616 1.1182 1.2930 0.6919 0.8611 0.5031 0.8978 1.2425 0.5988 1.9432 1.9635 1.5236 0.3749 0.9027 1.4631 1.2013 2.3771 1.8310 1.5168 0.5448 0.6170 0.6119 1.5609 0.5403 0.6852 1.4141 3.0337 1.2484 1.5020 2.2371 1.7826 0.7925 0.7945 2.5926 1.9474 0.9129 4.0060 1.8631 0.9592 2.1973 0.9445 1.6841 1.8368 1.0080 2.1914 1.2488 3.3105 3.1079 1.4653 2.7524 2.3564 1.5117 1.6486 1.6738 2.0367 1.6725 1.2449 1.8543 1.8172 2.5968 2.4310 1.7702 2.8700 2.4308 2.6149 1.5662 1.8795 2.1126 2.0362 2.4810 2.2218 1.6828 1.5261 2.9081 1.6219 1.6456 1.7504 4.7544 1.7602 1.8109 1.8428 1.9175 1.9277 2.5868 3.6432 1.6456 1.6567 1.7087 2.6024 1.7383 1.7013 4.5780 1.6790 1.7580 1.8749 1.7637 2.7711 1.8280 3.7353 4.9837 5.3661 11.1461 11.0942 10.9974 7.8741 8.3414 17.1552 21.7129 26.8360 6.3482 6.3124 6.3583 6.5902 6.8241 6.8816 7.0674 6.9763 6.9115 7.0543 6.9730 7.1026 7.0048 7.2428 7.3218 7.3705 7.2797 7.4401 7.3067 7.4075 7.4052 7.5047 7.4986 7.7163 7.7231 8.6489 8.8193 9.4648 9.4967 0.8016 1.7146 3.6998 0.9763 1.2136 2.2477 1.4882 2.9301 0.9033 6.1081 0.0605 1.8110 1.1827 0.9815 5.2360 2.9929 3.6433 5.9719 0.7542 0.7863 4.3630 0.0581 12.1240 5.4818 3.8208 2.0271 4.3712 0.9472 0.0869 2.4575 0.3447 48.9416 0.1612 5.6900 4.1604 9.7325 8.3303 7.2745 11.8456 2.5233 1.9616 9.2773 14.9755 15.8401 17.8105 141.2917 0.1349 27.8540 0.1759 6.9104 6.0655 1.5895 10.5312 9.3502 75.8642 13.8947 2.8719 10.0026 57.6675 7.4708 6.4987 75.7987 39.1086 48.9246 39.2423 8.3738 104.6847 39.7656 9.2223 9.3186 16.9361 26.0870 27.9867 0.5424 1.3871 13.9964 35.9906 8.6840 29.2519 25.3390 2.6333 31.4356 0.7334 9.1049 7.9685 0.2158 34.0704 18.3474 50.9494 15.3013 1.9181 39.2607 24.8776 20.7162 37.3589 8.5846 5.4566 3.3397 3.3087 14.2785 13.9553 31.0638 39.4175 53.9422 203.3196 108.5897 41.1835 1.6180 73.9077 127.5263 2.8241 69.5283 138.6414 6.3042 73.9588 279.7522 5.1152 3.9062 14.0847 85.8308 16.5784 65.2613 34.8833 53.2710 27.1550 310.0926 13.0463 4.1790 3.6742 10.8250 12.4800 4.0762 1.9265 1.4625 5.5188 18.6837 157.8295 26.2169 364.5957 2.1197 701.6454 77.4250 716.7804 44.5607 104.0083 98.1874 176.8995 368.7117 234.5525 546.2931 109.2559 9.9672 51.1983 7.9563 24.3683 2.9933 4.5533 42.8041 9.9932 11.2855 13.1181 8.6866 6.6361 8.0274 28.5640 12.8080 2.7705 2.9815 4.2303 5.7895 29.4633 18.0009 7.1685 13.4782 1.3798 3.4774 32.1255 188.0434 92.2621 137.7124 0.9995 3.6909 0.3728 0.7474 0.1564 1.1113 0.4337 0.4819 1.3260 0.5600 0.6437 3.6616 4.3664 0.6270 3.6065 0.4304 0.4068 1.1381 0.2158 1.9507 2.9494 0.2053 1.5462 0.9166 0.4705 0.6504 0.1924 0.4161 0.9634 0.3842 0.5407 0.1730 3.3355 3.2623 0.8085 2.8471 1.0393 1.2554 0.6664 4.5662 1.2964 1.4029 1.4793 2.1711 2.8022 0.7615 0.2068 3.4409 0.8993 5.9028 3.2965 8.9576 9.2774 3.2634 3.3042 6.3186 0.5498 1.8863 10.6509 4.7345 8.4450 0.6401 2.5510 2.1187 18.9274 1.5973 7.0363 5.7836 2.9201 9.3146 26.1627 8.4824 2.6946 0.3466 3.6632 1.7661 3.6742 1.1949 6.7261 8.4381 0.4758 4.3063 1.3707 17.9158 7.6600 2.1520 17.4649 3.0155 5.1321 20.4064 16.7241 34.3495 58.4044 29.4348 17.1578 8.5143 2.4919 2.6711 4.7214 9.0250 2.7916 2.5191 55.7967 1.0716 30.9497 33.1121 11.8964 33.4401 42.1237 72.1626 33.0607 0.6056 8.0660 3.6682 24.4337 246.0025 5.2189 5.4841 2.0653 205.5081 3.7059 4.3325 5.9638 2.4635 4.1601 0.5610 74.4494 12.3581 18.4876 8.3998 6.1494 17.1146 13.8326 40.9355 20.5927 16.6992 17.9272 6.4726 169.0333 11.2826 50.5480 35.6841 375.6538 83.5362 315.4751 196.0709 26.2492 668.0404 161.9053 0.3605 78.8086 85.9673 103.6308 105.1595 64.4451 67.0410 28.9328 57.6342 37.5184 83.6471 66.6510 140.6885 68.6478 47.8411 79.7057 41.6579 43.8888 64.5125 24.8560 72.4906 163.1401 178.3834 150.3885 147.6255 50.6548 66.7932 22.2626 92.5282 54.9563 38.9899 0.7315 0.7499 0.7498 0.7481 0.7500 0.6524 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12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 12834.6453 29929.4387 41681.5256 0.99990 -0.01387 -0.00080 0.01387 0.99990 -0.00147 0.00082 0.00146 1.00000 1 0.00675 0.00289 0.00208 0.14061 0.06030 0.04330 12.82 18.34 26.91 34.11 51.15 63.76 70.61 96.28 103.05 104.73 121.07 134.10 135.62 152.60 173.45 181.68 216.32 255.59 291.74 300.62 310.06 317.47 331.40 361.32 384.79 394.04 413.27 436.62 452.71 460.79 486.76 501.19 511.97 516.80 610.48 618.36 630.97 689.50 692.80 698.08 735.22 770.39 792.15 813.83 841.27 850.03 889.94 897.18 900.98 914.25 924.39 946.38 993.69 1024.01 1047.99 1154.51 1165.29 1166.99 1195.01 1202.33 1214.06 1227.37 1228.25 1234.74 1249.10 1254.29 1270.60 1290.91 1304.59 1320.79 1345.63 1384.36 1398.86 1406.32 1406.53 1456.68 1517.52 1536.92 1549.31 1570.32 1571.75 1585.23 1598.12 1609.97 1612.89 1621.32 1647.20 1674.48 1680.64 1689.74 1720.94 1739.68 1766.20 1770.95 1784.51 1814.21 1834.20 1859.81 1860.90 1881.46 1883.67 1895.36 1920.77 1924.82 1943.04 1965.19 1990.36 1999.63 2028.23 2029.53 2066.49 2069.81 2076.52 2084.77 2121.67 2132.28 2157.08 2195.63 2222.31 2227.57 2261.00 2269.48 2276.86 2282.00 2304.80 2323.53 2330.25 2348.19 2353.55 2355.68 2356.48 2358.92 2360.80 2370.44 2373.24 2383.77 2385.12 2387.95 2400.70 2401.45 2429.32 2494.08 2530.90 2553.26 2595.87 2608.01 2614.01 2672.25 2727.33 2802.22 2844.25 4631.27 4633.63 4635.30 4665.00 4722.64 4723.41 4733.31 4733.43 4737.26 4743.36 4758.06 4760.33 4765.07 4801.85 4818.38 4835.01 4847.76 4850.40 4854.67 4874.27 4877.65 4902.24 4907.14 4979.83 4981.11 5309.61 5357.57 5554.53 5558.47 0.556289 0.586206 0.587151 0.489580 -1517.122163 -1517.092245 -1517.091301 -1517.188871 3.272514D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE CC[NH+](CC)CCNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)Nc3ccccc3OC C09706096 RHF 6-31G(d) (6D,10F) C1 453.213795 |X|Y|Z| 127.956914 82.354676 21.848447 61.290175 17 6 7 8 15 1 1 |36.858105| |12.533291|36.858105| |7.560339|12.546330|53.358707| |7.538238|9.272374|25.708899|0.500000| |5.918399|7.601526|17.192880|0.259203|36.858105| |4.394312|4.976138|10.291310|0.207441|12.524582|36.858105| |5.023619|7.649678|17.223210|0.257797|7.614397|5.974562|36.858105| |4.471082|5.939110|10.305117|0.209444|5.000884|4.465227|12.388489|36.858105| |3.546148|4.556540|6.960942|0.135064|3.853935|3.486276|7.771857|13.260570|53.358707| |3.504442|4.517449|6.146852|0.115685|3.477403|3.031322|6.139844|7.927991|19.318311|36.858105| |4.108273|5.488236|6.687925|0.122407|3.691387|3.072461|6.120137|6.979813|11.567308|15.854519|73.516695| |2.745019|3.333659|4.540795|0.087086|2.762685|2.492807|4.248657|5.066734|10.777756|12.394741|14.019891|36.858105| |2.458524|2.924095|4.136036|0.080765|2.574832|2.399236|3.873694|4.673094|9.805273|8.078170|9.815020|15.881060|73.516695| |2.598566|3.097543|4.032517|0.076884|2.506117|2.234913|3.562980|3.983051|7.282166|7.991227|12.492740|14.313942|14.809528|53.358707| |2.194664|2.538349|3.322815|0.063952|2.133175|1.934725|2.849283|3.106327|5.353936|5.077408|8.281649|7.746487|11.414105|18.550104|36.858105| |1.922255|2.182831|2.920449|0.057003|1.903359|1.765290|2.488769|2.734563|4.646266|4.043276|6.411276|5.917146|10.607763|9.951068|13.089173|36.858105| |1.828761|2.061998|2.819582|0.055708|1.842656|1.740198|2.415074|2.704464|4.608114|3.775117|5.787611|5.394772|11.201277|7.581667|7.159635|13.593570|36.858105| |1.616348|1.795232|2.459546|0.048861|1.632936|1.557951|2.068178|2.281048|3.738562|2.970449|4.687630|3.886859|7.852319|5.459921|4.988781|7.991744|13.858948|36.858105| |1.508058|1.663199|2.253562|0.044617|1.510516|1.435327|1.866432|2.018707|3.234543|2.596072|4.225678|3.279527|6.258224|4.826519|4.557281|6.870452|7.861888|13.580989|36.858105| |1.554562|1.718890|2.296980|0.045146|1.539110|1.445818|1.893394|2.024207|3.234441|2.664671|4.427969|3.363888|6.112373|5.249540|5.306882|7.782404|6.723052|7.870487|13.852252|36.858105| |1.745312|1.954688|2.590029|0.050534|1.715368|1.591799|2.156911|2.313130|3.771714|3.223043|5.351944|4.253812|7.432877|7.155638|8.495383|13.715558|7.937602|7.003844|8.116313|13.749133|36.858105| |1.807400|2.026016|2.634928|0.050999|1.748048|1.601157|2.169979|2.285990|3.670056|3.208494|5.545214|4.062319|6.667372|7.284169|8.519352|8.441056|5.353841|4.696145|5.262460|7.871376|14.169024|73.516695| |2.072753|2.364852|3.037712|0.058249|1.983617|1.789395|2.529535|2.669654|4.366064|4.021814|7.056072|5.221185|7.912636|10.810912|14.151182|8.499743|5.240453|4.203616|4.247228|5.426090|8.784688|24.966095|36.858105| |2.194957|2.500361|3.118408|0.059207|2.045037|1.813093|2.537458|2.604533|4.107745|3.802121|7.176759|4.414614|6.512050|8.604045|7.476266|5.153965|3.754780|3.171208|3.223418|3.942714|5.342508|13.850955|12.907206|36.858105| |2.538354|2.942722|3.573511|0.067045|2.308234|2.005151|2.900140|2.946560|4.610748|4.429139|8.939710|4.804753|6.742167|9.321428|6.538854|4.437131|3.418594|2.854316|2.808369|3.268922|4.244551|9.587366|8.205418|15.706840|73.516695| |1.956861|2.183159|2.729388|0.052102|1.825266|1.631424|2.177383|2.208638|3.392275|3.003458|5.643047|3.382840|5.240830|5.992051|5.196845|4.182993|3.199140|2.848402|3.014640|3.756813|4.730465|12.535543|8.029738|14.222907|14.878330|53.358707| |1.921402|2.114116|2.609707|0.049759|1.766692|1.572175|2.036218|2.031045|3.034755|2.634828|5.056874|2.828457|4.421376|4.751007|3.820917|3.199495|2.590005|2.352859|2.477236|2.972607|3.512286|8.285301|5.087797|7.686103|11.526693|18.382916|36.858105| |2.113520|2.318946|2.797983|0.053007|1.895391|1.662936|2.146849|2.110565|3.094423|2.689584|5.330684|2.767203|4.270749|4.553532|3.429556|2.831800|2.349121|2.116590|2.176857|2.528768|2.964973|6.593607|4.242470|6.272602|11.577935|10.477979|13.786563|36.858105| |1.977598|2.126115|2.565611|0.048814|1.765995|1.556110|1.932254|1.882629|2.706391|2.292720|4.520062|2.318574|3.648333|3.674965|2.742808|2.350773|2.007220|1.839918|1.896626|2.167691|2.461134|5.270142|3.248874|4.308145|7.921745|6.957243|7.933771|13.695331|36.858105| |1.730397|1.845066|2.265141|0.043412|1.572574|1.404946|1.708961|1.673211|2.407595|2.009472|3.878049|2.060571|3.303202|3.230986|2.468481|2.182063|1.880313|1.754608|1.835584|2.103580|2.333490|4.965825|2.925210|3.682483|6.398601|6.196698|6.860158|7.935392|13.842415|36.858105| |1.618397|1.734796|2.159497|0.041532|1.495246|1.347732|1.649874|1.631159|2.376871|1.984204|3.764177|2.083474|3.368652|3.295862|2.600788|2.336239|1.996214|1.881713|2.004867|2.338881|2.572909|5.577771|3.160627|3.909744|6.379726|7.083554|7.899353|6.859973|7.944379|13.695222|36.858105| |1.688832|1.832959|2.290314|0.043980|1.569940|1.414152|1.775512|1.770675|2.623464|2.221667|4.188703|2.386993|3.834286|3.878066|3.157008|2.801781|2.328232|2.178281|2.342544|2.809559|3.161516|7.213558|4.041726|5.186369|7.862340|10.884565|13.572819|7.916632|6.880732|7.945903|13.814138|36.858105| |1.567387|1.702066|2.158429|0.041662|1.479821|1.347117|1.688484|1.700003|2.542764|2.137614|3.943396|2.351685|3.843712|3.810645|3.225971|2.979690|2.469253|2.356433|2.609165|3.214232|3.526306|8.146172|4.175750|4.872852|7.009312|10.013599|8.186572|5.290564|4.624660|5.192232|7.867828|14.071960|73.516695| |1.408355|1.514589|1.934379|0.037527|1.337719|1.228164|1.503683|1.512205|2.241510|1.851052|3.390341|2.020034|3.358218|3.184212|2.658256|2.540078|2.175592|2.125746|2.375089|2.860776|2.987432|6.457920|3.262439|3.595915|5.431385|6.501235|5.241664|3.976677|3.790326|4.502292|6.703866|7.979093|24.126119|36.858105| |17.550453|8.793797|9.260380|0.218776|5.136610|4.186064|4.796561|4.663493|4.919116|3.488949|7.083238|2.736776|4.404269|3.481724|2.161811|1.912464|1.838866|1.626822|1.509209|1.544729|1.727440|3.150333|2.021561|2.109256|4.288535|2.556698|1.829193|1.987558|1.854453|1.636145|1.542779|1.615414|2.686392|1.361791|0.500000| |17.591087|8.956041|7.533865|0.148928|4.605857|3.557351|4.170936|3.836647|4.387481|3.318244|7.083638|2.656456|4.185919|3.516098|2.198754|1.912960|1.800661|1.594961|1.500049|1.558309|1.752898|3.261595|2.107800|2.270759|4.706640|2.771052|2.022990|2.258455|2.126702|1.844542|1.707522|1.771897|2.896415|1.460764|0.302831|0.500000| |17.583856|8.717265|9.201617|0.188559|6.360450|4.763769|4.462377|3.845780|4.213762|3.012370|6.077256|2.429484|3.934319|3.135077|1.979875|1.755052|1.678455|1.497593|1.402867|1.442695|1.605989|2.951172|1.882050|1.989012|4.035174|2.444846|1.775808|1.949183|1.847149|1.630228|1.523114|1.577499|2.607348|1.327469|0.300174|0.302819|0.500000| |8.768658|17.624189|12.400592|0.183444|7.475174|4.708635|6.606892|4.883284|5.533024|4.166546|9.019652|3.188835|4.958052|4.130480|2.517377|2.152101|2.011151|1.757332|1.642467|1.710636|1.947698|3.628391|2.385050|2.566926|5.409932|3.070587|2.209925|2.455507|2.262522|1.948897|1.816962|1.910510|3.127740|1.562640|0.172152|0.212098|0.207990|0.500000| |8.821053|17.669454|12.306204|0.208456|5.638737|4.130849|7.664603|6.851581|7.377354|5.699332|13.556313|3.952506|5.952838|4.988970|2.905920|2.448553|2.291798|1.966827|1.812488|1.880078|2.165616|3.999555|2.674161|2.827478|6.034383|3.288826|2.309116|2.528079|2.273535|1.957164|1.847953|1.974749|3.259014|1.616175|0.210984|0.214177|0.172013|0.303312|0.500000| |6.831575|7.538760|12.378145|0.213285|17.659636|8.868695|5.629742|4.146915|4.495571|3.084525|5.956329|2.494682|4.111510|3.148661|1.990634|1.776466|1.711146|1.526404|1.423270|1.456241|1.617803|2.950829|1.876122|1.957104|3.931630|2.400921|1.728141|1.871800|1.763888|1.568980|1.479985|1.540708|2.566987|1.309076|0.154660|0.145703|0.234396|0.214358|0.148306|0.500000| |4.935620|6.656027|12.417190|0.183114|17.623525|8.763345|7.378158|4.664674|5.214202|3.537054|6.671187|2.845617|4.694680|3.538600|2.217530|1.967407|1.890455|1.672589|1.552413|1.589482|1.777525|3.236182|2.071931|2.146838|4.316966|2.606916|1.855088|1.992741|1.852367|1.645623|1.563948|1.644189|2.749677|1.394525|0.117552|0.114410|0.142639|0.208834|0.146173|0.302472|0.500000| |3.788616|4.434601|9.168361|0.184103|8.721325|17.592112|6.431314|4.839426|5.185326|3.198451|5.575155|2.645818|4.604834|3.168806|2.012939|1.849348|1.839945|1.643570|1.502898|1.504413|1.654960|2.933981|1.841523|1.841725|3.596785|2.245605|1.574948|1.649760|1.533528|1.389281|1.342566|1.417244|2.415735|1.238368|0.102467|0.087468|0.108765|0.116403|0.108119|0.172553|0.208135|0.500000| |4.527808|4.728652|9.283691|0.218507|8.793889|17.553823|5.216030|4.300715|4.502304|2.869663|5.174760|2.367852|4.065833|2.893425|1.846174|1.693873|1.678375|1.508050|1.388298|1.393872|1.528677|2.725908|1.706804|1.725262|3.381491|2.118397|1.501067|1.586105|1.488393|1.347286|1.292882|1.354257|2.296706|1.180967|0.125948|0.100363|0.138295|0.118563|0.110190|0.212029|0.172132|0.300215|0.500000| |3.792825|4.143734|7.538962|0.148502|8.943905|17.590451|4.622285|3.592909|4.025820|2.638441|4.767216|2.229207|3.829618|2.761261|1.782772|1.635853|1.610580|1.454445|1.349453|1.361114|1.489730|2.670685|1.666006|1.694699|3.310444|2.096938|1.495085|1.582288|1.493401|1.355052|1.297964|1.353987|2.292520|1.181536|0.098939|0.088379|0.117496|0.114331|0.096779|0.215385|0.211729|0.303027|0.302666|0.500000| |4.135626|5.639707|12.289615|0.207490|7.551407|6.882093|17.664559|8.781967|8.848328|5.024437|8.435315|3.814271|6.483272|4.350316|2.634163|2.355217|2.319871|2.008975|1.810753|1.821791|2.051345|3.635119|2.344194|2.324985|4.624467|2.750556|1.891077|1.975200|1.790924|1.601273|1.553988|1.668047|2.840491|1.433316|0.110608|0.096888|0.107935|0.145338|0.149778|0.148294|0.212972|0.237042|0.156265|0.146140|0.500000| |4.754810|7.569365|12.445994|0.183769|6.533142|4.897903|17.677842|8.781022|10.162544|6.900169|13.025063|4.688977|7.268967|5.471112|3.153781|2.680272|2.540422|2.156144|1.958863|2.013088|2.324421|4.216536|2.815379|2.867675|5.949580|3.305976|2.266402|2.405961|2.141278|1.873454|1.803290|1.950670|3.274860|1.625427|0.120531|0.115356|0.116506|0.205962|0.224213|0.143338|0.200387|0.142101|0.117671|0.112947|0.301863|0.500000| |5.224911|6.683250|10.050805|0.219071|4.702040|4.087738|8.788054|17.576111|12.568807|7.318471|13.096194|4.719747|7.481511|5.303399|3.040337|2.653356|2.595720|2.199072|1.962594|1.980369|2.265111|4.017224|2.646947|2.620476|5.328585|3.027961|2.059872|2.160242|1.930490|1.706901|1.654413|1.790145|3.037010|1.517851|0.159360|0.124362|0.118284|0.142146|0.233166|0.114384|0.118270|0.116338|0.113690|0.092586|0.175009|0.196981|0.500000| |3.945879|4.810974|8.680076|0.195351|4.647404|4.572102|8.806102|17.608133|12.617336|5.829392|9.006274|4.293575|7.529882|4.643400|2.769236|2.519909|2.556273|2.191015|1.929758|1.908418|2.144303|3.718529|2.389903|2.305068|4.533605|2.704091|1.832357|1.889183|1.702135|1.530002|1.498006|1.619006|2.784281|1.406200|0.117728|0.093750|0.097895|0.112175|0.143308|0.107296|0.117488|0.143254|0.126529|0.101440|0.223658|0.174914|0.302574|0.500000| |3.026229|3.716320|5.738136|0.114157|3.378547|3.195802|6.002987|8.910689|26.005198|9.472427|10.902870|7.707201|15.202189|6.861375|3.888607|3.536961|3.664786|2.961978|2.504615|2.453312|2.827830|4.762746|3.117141|2.845665|5.502232|3.232578|2.109424|2.117603|1.858815|1.673422|1.667911|1.844917|3.219050|1.606208|0.086295|0.076991|0.075141|0.094009|0.117570|0.080986|0.093621|0.098966|0.084716|0.076476|0.156496|0.157963|0.185709|0.228352|0.500000| |2.833091|3.408315|4.266703|0.080327|2.632076|2.295627|3.687126|3.999476|6.910960|7.839989|14.869455|9.528126|10.815351|25.793594|9.406381|5.572446|4.357012|3.359692|3.082414|3.406372|4.510598|8.795143|7.533138|7.309420|16.745070|6.578615|3.893979|3.861078|3.044216|2.605131|2.611953|3.068996|5.199430|2.412627|0.076419|0.079443|0.069004|0.093791|0.114316|0.068126|0.076067|0.065503|0.060548|0.057893|0.089757|0.118543|0.111720|0.093060|0.125846|0.500000| |1.932510|2.191653|3.040971|0.060403|1.967928|1.869534|2.647617|3.043174|5.337040|4.254723|6.248175|6.244802|14.838323|7.764732|6.308331|8.841243|17.820953|8.942953|5.613143|4.881575|5.640688|7.678675|4.516000|3.425790|5.786765|3.934994|2.393848|2.221973|1.911814|1.778005|1.861393|2.140942|3.963625|1.973808|0.054345|0.052352|0.049128|0.058752|0.067887|0.050347|0.055795|0.055352|0.050169|0.047702|0.070800|0.076435|0.080172|0.080558|0.122421|0.122040|0.500000| |1.548837|1.710183|2.367106|0.047356|1.578081|1.522186|1.985817|2.200296|3.567550|2.751796|4.323408|3.485671|7.217193|4.693737|4.013197|5.667866|8.987190|17.729972|8.892546|5.633872|5.020811|6.600728|3.424953|2.708038|4.431476|3.344251|2.079049|1.896648|1.670383|1.597260|1.701188|1.939977|3.702526|1.905613|0.043524|0.042246|0.040029|0.046295|0.051697|0.040933|0.044699|0.044776|0.041082|0.039510|0.054045|0.056793|0.058721|0.059627|0.079639|0.081589|0.216037|0.500000| |1.391675|1.522545|2.068678|0.041108|1.397474|1.336507|1.698436|1.827238|2.879948|2.274584|3.731202|2.783102|5.309249|4.023357|3.627381|4.951711|5.628682|8.883516|17.726793|8.980256|5.720030|7.487079|3.466805|2.765652|4.337696|3.605623|2.233896|1.974026|1.746307|1.707705|1.867642|2.152628|4.280689|2.245163|0.038737|0.038448|0.036155|0.041787|0.045735|0.036692|0.039821|0.038835|0.035998|0.035058|0.046033|0.049203|0.049408|0.048932|0.061951|0.072950|0.124030|0.215822|0.500000| |1.462207|1.605107|2.134673|0.041947|1.441731|1.354334|1.739403|1.838990|2.887396|2.365950|4.001290|2.886563|5.166065|4.497029|4.352650|5.580398|4.876316|5.591271|8.852443|17.749226|8.878600|12.482220|4.758074|3.706813|5.423030|5.087096|3.010837|2.519241|2.182966|2.157225|2.442811|2.942000|6.199518|3.172493|0.040249|0.040897|0.037859|0.044593|0.048457|0.038110|0.041392|0.038968|0.036291|0.035600|0.046558|0.051373|0.050195|0.048234|0.060315|0.083803|0.106353|0.123524|0.213265|0.500000| |1.792521|1.987030|2.519776|0.048413|1.694564|1.532229|2.015321|2.057518|3.169197|2.755656|5.050035|3.165646|5.046688|5.487931|5.019368|4.351008|3.315782|3.027900|3.319323|4.310139|5.332344|15.131627|7.772362|9.529174|10.834786|26.015856|9.356272|5.746788|4.293639|4.104661|4.968773|7.753336|16.039091|5.571470|0.048117|0.051468|0.045965|0.056693|0.060663|0.045403|0.049273|0.043227|0.040693|0.040295|0.052472|0.061773|0.057258|0.051990|0.062561|0.116878|0.081307|0.071840|0.081048|0.123279|0.500000| |2.394330|2.663252|3.154670|0.059294|2.109597|1.824978|2.422546|2.373402|3.479802|3.086715|6.306442|3.109262|4.684717|5.168555|3.724654|2.969649|2.457636|2.173919|2.194432|2.520582|3.006891|6.588491|4.487175|6.852616|14.994871|9.520509|8.972398|17.825330|8.897180|5.653503|4.953612|5.644870|7.612358|3.328042|0.062082|0.071516|0.060620|0.078739|0.081804|0.057804|0.061690|0.050164|0.048240|0.047917|0.061068|0.076398|0.067886|0.058201|0.065160|0.127118|0.065362|0.054151|0.054879|0.068405|0.143233|0.500000| |2.085517|2.221478|2.645814|0.050243|1.829836|1.600942|1.962264|1.893673|2.681491|2.255845|4.502326|2.229497|3.505299|3.471422|2.525956|2.167343|1.876381|1.716668|1.750631|1.970944|2.227631|4.658983|2.899394|3.737101|7.180796|5.634683|5.654101|8.929202|17.727087|8.936147|5.644552|4.956793|6.521143|3.131946|0.053865|0.063004|0.054276|0.066222|0.065454|0.051256|0.053256|0.043488|0.042562|0.042776|0.050354|0.060355|0.054231|0.047499|0.050823|0.080278|0.050202|0.043626|0.044911|0.054723|0.098125|0.215247|0.500000| |1.643578|1.733979|2.132722|0.040998|1.492918|1.338764|1.594574|1.555486|2.216523|1.827736|3.518709|1.857492|3.001912|2.863814|2.168971|1.942915|1.700007|1.597237|1.666902|1.886602|2.064119|4.295175|2.511307|3.054662|5.376068|4.930899|4.946075|5.639351|8.928371|17.726636|8.926802|5.659323|7.447387|3.904452|0.043158|0.048735|0.043329|0.050913|0.050612|0.041609|0.043303|0.036651|0.035736|0.036038|0.041667|0.048244|0.044111|0.039725|0.042865|0.063664|0.044905|0.040714|0.043417|0.053795|0.092974|0.124127|0.214590|0.500000| |1.484013|1.580870|1.983900|0.038321|1.381609|1.254999|1.512832|1.497650|2.175471|1.795243|3.373241|1.887965|3.090644|2.945532|2.332737|2.143876|1.857884|1.775596|1.905970|2.209478|2.375368|5.039827|2.784899|3.289585|5.359544|5.742080|5.622820|4.949037|5.661119|8.923725|17.765606|8.926471|12.533318|7.462704|0.039444|0.043331|0.039007|0.045843|0.046498|0.038015|0.040058|0.034760|0.033509|0.033687|0.039823|0.045602|0.042107|0.038480|0.042668|0.063922|0.048087|0.044851|0.049869|0.064884|0.117356|0.107599|0.124345|0.216282|0.500000| |1.373809|1.477981|1.891881|0.036610|1.318833|1.211451|1.466855|1.461577|2.154878|1.767950|3.240533|1.912244|3.188097|2.979562|2.449932|2.335480|2.022146|1.975039|2.185710|2.587174|2.696285|5.714810|2.951590|3.265586|5.055122|5.727740|4.746391|3.782491|3.737660|4.565104|6.709662|7.017832|16.445944|17.578809|0.036752|0.039534|0.036152|0.042605|0.043513|0.035899|0.038339|0.033902|0.032273|0.032512|0.039004|0.044101|0.040601|0.037801|0.042872|0.062811|0.051384|0.049555|0.057677|0.078815|0.130501|0.088044|0.086580|0.112813|0.224523|0.500000| |1.376742|1.467388|1.866280|0.036345|1.289813|1.184975|1.439692|1.451951|2.136852|1.759076|3.238055|1.900821|3.158003|2.977803|2.450774|2.340739|2.027386|1.983362|2.199339|2.606403|2.709626|5.746155|2.955983|3.268789|5.055242|5.741479|4.757760|3.791035|3.744652|4.571015|6.714119|7.030703|16.446238|17.579120|0.037062|0.039836|0.036060|0.041929|0.043453|0.035214|0.037169|0.033079|0.031777|0.031674|0.038035|0.043019|0.040731|0.037575|0.042451|0.062953|0.051457|0.049752|0.058086|0.079640|0.131076|0.088239|0.086731|0.112899|0.223980|0.298642|0.500000| 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