Version2.4 2021-06-09T16:17:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c2c(c1)cc(c(=O)[nH]2)C[NH+](Cc3nnnn3Cc4ccc(cc4)OC)C[C@@H]5CCCO5)C C06300570 RHF 6-31G(d) (6D,7F) Cc1cc(c2c(c1)cc(c(=O)[nH]2)C[NH+](Cc3nnnn3Cc4ccc(cc4)OC)C[C@@H]5CCCO5)C C01[X(C27H33N6O3)] 201 C1 606 COc1ccc(cc1)Cn1nnnc1C[NH+](Cc1cc2cc(C)cc(c2[nH]c1=O)C)C[C@@H]1CCCO1 COc1ccc(cc1)Cn1nnnc1C[NH+](Cc1cc2cc(C)cc(c2[nH]c1=O)C)C[C@@H]1CCCO1 COc1ccc(Cn2nnnc2C[NH+](C[C@@H]3CCCO3)CC4=Cc5cc(C)cc(C)c5NC4=O)cc1 InChIKey=UQZTXSDGWGBDKW-DEOSSOPVSA-O InChI=1S/C27H32N6O3/c1-18-11-19(2)26-21(12-18)13-22(27(34)28-26)15-32(16-24-5-4-10-36-24)17-25-29-30-31-33(25)14-20-6-8-23(35-3)9-7-20/h6-9,11-13,24H,4-5,10,14-17H2,1-3H3,(H,28,34)/p+1/t24-/m0/s1 InChI=1/C27H32N6O3/c1-18-11-19(2)26-21(12-18)13-22(27(34)28-26)15-32(16-24-5-4-10-36-24)17-25-29-30-31-33(25)14-20-6-8-23(35-3)9-7-20/h6-9,11-13,24H,4-5,10,14-17H2,1-3H3,(H,28,34)/p+1/t24-/m0/s1/fC27H33N6O3/h28,32H/q+1 Cc1cc(c2c(c1)cc(c(=O)[nH]2)C[NH+](Cc3nnnn3Cc4ccc(cc4)OC)C[C@@H]5CCCO5)C C01[X(C27H33N6O3)] 201 C01 606 COc1ccc(cc1)Cn1nnnc1C[NH+](Cc1cc2cc(C)cc(c2[nH]c1=O)C)C[C@@H]1CCCO1 CO[C]1[CH][CH][C]([CH][CH]1)C[N]1[N][N][N][C]1C[NH](CC1=[CH][C]2[CH][C]([CH][C]([C]2NC1=O)C)C)C[C@@H]1CCCO1 CO[C]1[CH][CH][C]([CH][CH]1)CN2[N][N][N][C]2C[NH](C[C@@H]3CCCO3)CC4=C[C]5[CH][C](C)[CH][C](C)[C]5NC4=O InChIKey=VWCPPCYKQCNFRA-DEOSSOPVSA-N InChI=1S/C27H33N6O3/c1-18-11-19(2)26-21(12-18)13-22(27(34)28-26)15-32(16-24-5-4-10-36-24)17-25-29-30-31-33(25)14-20-6-8-23(35-3)9-7-20/h6-9,11-13,24,32H,4-5,10,14-17H2,1-3H3,(H,28,34)/t24-/m0/s1 InChI=1/C27H33N6O3/c1-18-11-19(2)26-21(12-18)13-22(27(34)28-26)15-32(16-24-5-4-10-36-24)17-25-29-30-31-33(25)14-20-6-8-23(35-3)9-7-20/h6-9,11-13,24,32H,4-5,10,14-17H2,1-3H3,(H,28,34)/t24-/m0/s1/f/h28H 4013.6966863171 -1592.7225735 1-A 18020.6767 130 476 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.68502 -20.67539 -20.63119 -15.82304 -15.77975 -15.75415 -15.73882 -15.71806 -15.70465 -11.46479 -11.44399 -11.43689 -11.42175 -11.41492 -11.41321 -11.39651 -11.39599 -11.39062 -11.38873 -11.37646 -11.36378 -11.35969 -11.34769 -11.34278 -11.33903 -11.33610 -11.33479 -11.33282 -11.33216 -11.33204 -11.33095 -11.32568 -11.31830 -11.31730 -11.31379 -11.30350 -1.62116 -1.51458 -1.50414 -1.50366 -1.46362 -1.38423 -1.38036 -1.32032 -1.26165 -1.25100 -1.23719 -1.19240 -1.16942 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5.6764 1.5045 2.4908 1.5386 1.9050 2.9088 4.3523 2.9152 5.0625 2.2223 1.8390 1.2771 1.8506 2.6095 1.4364 3.0215 1.3516 1.3839 1.7606 1.8256 1.2211 1.7157 1.2349 1.5463 2.6835 2.2843 3.9030 1.3585 1.7746 3.4926 1.2744 1.4028 1.4534 1.3420 1.2511 1.4710 1.3070 1.6414 1.5257 1.5428 1.2840 1.6132 1.2600 1.5212 2.3619 1.3819 2.5385 6.2072 1.4128 1.0436 1.1940 1.1894 1.2874 1.1152 1.0509 1.2172 1.1267 1.1672 1.5380 1.0532 1.1085 1.0824 1.3348 2.6600 1.2073 2.4674 8.3698 6.1855 5.9347 5.5949 5.3002 6.1235 6.6716 1.0408 1.0375 1.0341 1.0646 1.0699 1.0658 1.1029 1.0837 1.1030 1.0645 1.0678 1.0690 1.1048 1.1077 1.1028 1.0990 1.1035 1.0620 1.1050 1.1054 1.1032 1.1060 1.0936 1.0920 1.0928 1.0912 1.0917 1.0987 1.1083 1.0951 1.0934 1.0773 1.0780 0.0008 0.0008 0.0017 0.0020 0.0035 0.0049 0.0069 0.0082 0.0080 0.0123 0.0178 0.0053 0.0356 0.0299 0.0362 0.0672 0.0688 0.0991 0.0641 0.0515 0.0734 0.1114 0.0597 0.0889 0.0687 0.1279 0.0830 0.1303 0.1296 0.1616 0.2275 0.2140 0.1920 0.3327 0.3084 0.2957 0.5839 0.4206 0.4127 0.4086 0.3881 0.5370 0.5178 0.5422 0.7064 0.7613 0.7325 0.7960 0.7185 1.0321 0.9867 0.7247 0.4840 1.2774 1.8344 0.3917 1.3883 1.2994 1.9564 1.4553 1.4962 4.2561 1.9261 2.0891 1.9931 2.0735 1.2183 2.8150 2.4239 0.6430 0.9988 0.9573 1.2280 1.3320 1.7906 0.7729 1.4361 1.5404 1.2509 1.6313 0.8540 2.2498 1.2473 1.4176 1.7313 0.9675 1.0117 1.8417 1.0646 1.2196 1.7168 1.5185 3.5095 1.9100 1.9960 4.5754 1.2240 2.0358 1.2628 1.6447 2.5550 3.9791 2.6733 4.7621 2.1233 1.7886 1.2565 1.8376 2.6222 1.4482 3.1089 1.3935 1.4541 1.8604 1.9946 1.3433 1.9267 1.4009 1.7760 3.1193 2.6821 4.7288 1.6601 2.1851 4.3558 1.6076 1.7939 1.8606 1.7824 1.6659 1.9861 1.8113 2.2887 2.1501 2.1961 1.8555 2.3489 1.8355 2.2408 3.5152 2.0573 3.7981 9.4061 2.1686 1.6311 1.8717 1.8676 2.0249 1.7595 1.6590 1.9338 1.7929 1.8668 2.4656 1.6909 1.7827 1.7539 2.1699 4.3967 2.0142 4.2034 15.0839 11.4778 11.1986 10.8105 10.3086 12.1374 14.2242 6.2752 6.3010 6.3151 6.5919 6.6450 6.6305 6.8698 6.7851 6.9366 6.7051 6.7518 6.7752 7.0294 7.0594 7.0374 7.0611 7.1022 6.8472 7.2102 7.2289 7.2648 7.3327 7.2645 7.2764 7.2982 7.2921 7.2969 7.3610 7.4413 7.4536 7.5063 8.3741 9.4632 0.7238 0.4452 1.5990 0.0395 0.2881 2.0245 0.4739 2.7456 4.3197 1.0386 4.4692 0.1232 3.9607 3.5701 1.4427 1.9383 5.3578 1.0374 0.0584 6.0204 0.9243 14.4698 0.8206 1.5355 5.0595 2.0607 1.1000 0.4027 9.3561 2.1690 1.1550 3.5739 4.7206 6.4376 0.4812 0.6619 13.6786 0.8030 8.1178 11.6188 1.2111 1.9317 0.9419 12.7028 8.3394 16.8318 7.4023 9.4047 7.4995 1.7303 9.0052 3.7102 3.5405 9.0923 2.1313 89.2677 23.6164 3.6475 0.2242 10.9080 10.6629 1.6370 1.1882 12.2697 23.7621 54.3695 31.2610 65.4055 9.1599 1.1081 35.4078 51.6070 1.0693 6.1219 11.6445 14.1201 17.0446 51.3937 3.5652 48.0090 1.3741 18.9348 15.0487 5.5546 14.6614 0.6875 0.0438 0.2181 11.2838 29.2442 40.1325 6.4812 9.2423 7.7580 17.9518 62.1432 1.2689 33.4567 3.4830 8.2203 27.4780 106.3501 14.8246 17.3075 11.1575 14.7176 2.5927 18.5386 0.2868 37.0173 17.3987 12.5494 9.1345 16.9863 4.8237 9.8242 7.5855 13.2503 26.4567 14.8355 28.1408 335.9685 7.9798 43.7708 34.6554 2.0330 17.7698 4.9394 0.3486 8.7778 43.4808 1.6607 19.3400 11.7602 18.4412 52.3132 7.7153 1.5221 6.0553 6.2952 66.7068 17.2012 18.4393 78.6850 6.8687 20.9209 33.5816 21.4936 4.9726 10.4364 2.4720 2.6911 3.3145 43.3342 9.9520 11.3607 15.1433 15.0139 69.4034 3.9906 120.3656 8.4974 10.7171 114.7619 7.1683 85.5724 37.7910 1056.9591 17.9785 31.8943 38.1987 16.0558 44.7174 20.4119 16.2637 24.0938 19.9950 13.1288 5.6966 9.4592 13.9123 46.9916 15.8766 12.0238 28.3886 7.1059 29.2001 1.2524 27.1865 5.6956 1.4257 13.4727 8.4615 8.9978 4.3362 23.9383 4.3884 4.4159 5.3125 71.4497 73.8447 0.8148 1.9981 2.8151 1.9250 1.0791 1.4759 8.2878 2.9077 0.6547 0.8026 1.5350 0.0433 0.9532 0.2694 0.9448 0.4606 0.7543 0.7577 0.8145 0.4584 2.1734 0.3386 0.5903 0.3645 0.9903 0.6216 0.3516 1.0416 0.4291 1.2453 1.1719 1.7352 0.2338 1.6307 1.9541 2.1290 5.2730 3.9661 5.5616 1.3594 0.2396 1.9962 0.5771 1.0127 5.4040 5.4481 1.7758 1.2533 1.8649 1.9885 0.1852 0.1043 1.1698 2.0383 4.7659 4.4892 2.6604 2.2029 11.8846 0.3944 1.2497 0.2157 0.6651 0.9626 1.5536 4.1518 5.0048 7.3110 24.5880 2.5022 2.5449 0.5203 2.4990 5.5819 12.8640 1.7955 9.5355 3.3488 0.8679 7.0276 1.0114 15.3928 0.7947 1.9996 6.4064 2.0704 0.5788 0.3346 5.4819 6.6099 13.4473 12.0824 9.9440 5.7293 2.3177 2.4821 0.7541 10.2234 0.3366 0.2265 3.3102 1.1423 15.8533 4.1886 0.8335 11.9377 5.0156 6.7609 1.5310 2.0256 7.2283 4.1870 5.5550 2.4718 6.0652 15.9863 7.0810 12.7980 7.2536 30.1166 32.8529 11.4014 42.7480 7.9794 279.6726 3.5804 2.2829 6.2206 0.2649 1.0281 4.3171 5.6740 7.2526 8.5708 7.2396 7.2109 8.6731 14.9299 3.2382 2.2200 7.4439 21.4959 18.0302 6.3451 19.7006 10.2085 23.0993 28.5494 9.7664 17.5188 3.7018 11.7804 26.6170 41.3874 22.1872 6.7888 11.9491 4.5147 4.2833 7.3917 1.0684 5.3055 4.6035 207.6490 18.8021 46.4374 82.1948 30.5681 131.9550 190.5912 98.0009 51.1427 104.3461 60.7455 80.4301 103.3217 108.6988 62.8849 10.9082 144.1164 79.2242 45.3452 62.8764 66.1952 111.2322 91.6166 53.0551 66.1931 105.4983 32.4811 18.3331 103.6288 83.7931 35.4584 44.2373 86.3898 32.0801 86.8207 75.7331 9.6124 38.3029 0.7460 0.7256 0.7175 0.7152 0.7493 0.6681 0.7493 0.6816 0.7424 0.7450 0.6625 0.6666 0.7499 0.5256 0.6975 0.6717 0.4618 0.7382 0.5564 0.5194 0.6665 0.3093 0.6926 0.4829 0.7304 0.3935 0.6743 0.4609 0.6996 0.0593 0.5744 0.0207 0.4708 0.6388 0.7388 0.1792 0.5732 0.5927 0.3126 0.6422 0.6986 0.5214 0.6386 0.1923 0.0754 0.0862 0.4200 0.7399 0.6735 0.4821 0.7454 0.7174 0.5687 0.2495 0.7347 0.6709 0.5003 0.4630 0.0981 0.3908 0.6686 0.6875 0.7164 0.7404 0.3867 0.3688 0.3574 0.1325 0.0909 0.5739 0.1708 0.3797 0.6583 0.0712 0.0979 0.5997 0.1949 0.5265 0.7395 0.6980 0.7488 0.2230 0.0932 0.4249 0.3007 0.5739 0.5862 0.4775 0.6162 0.3756 0.5253 0.7305 0.3120 0.6016 0.5333 0.6349 0.7009 0.4823 0.5986 0.5667 0.4421 0.7375 0.2743 0.7158 0.7472 0.3515 0.6786 0.1103 0.4941 0.4853 0.1211 0.7499 0.7306 0.7488 0.7169 0.3596 0.6562 0.6859 0.6066 0.3662 0.1437 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10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 6 6 6 8 7 1 6 7 1 6 6 7 7 7 7 6 6 6 6 6 6 6 8 6 6 6 1 6 6 6 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 1.00783 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 1.00783 1.00783 14465.3536 20413.9214 29193.0778 0.99990 0.01057 0.00911 -0.01043 0.99983 -0.01531 -0.00927 0.01521 0.99984 1 0.00599 0.00424 0.00297 0.12476 0.08841 0.06182 22.85 24.00 32.57 37.80 56.45 58.23 75.04 79.59 88.73 110.25 122.31 125.43 160.96 161.55 167.54 215.85 231.52 256.24 287.64 291.55 305.71 313.41 328.90 340.82 359.85 368.71 391.69 406.31 423.57 445.27 462.86 481.81 499.54 548.99 562.70 584.16 605.50 624.09 636.67 664.21 670.89 709.70 711.96 741.88 814.92 831.83 834.94 856.26 866.33 876.65 902.33 911.83 939.94 980.90 1002.16 1024.59 1064.12 1085.83 1098.98 1112.75 1143.90 1167.13 1183.62 1204.78 1208.74 1244.20 1271.81 1283.44 1309.97 1344.96 1351.39 1375.46 1380.59 1387.76 1399.84 1420.96 1430.62 1460.00 1481.30 1485.19 1501.73 1510.77 1512.06 1542.15 1555.26 1561.75 1583.84 1594.35 1598.35 1605.88 1635.75 1643.99 1650.23 1671.72 1677.92 1682.86 1690.64 1694.62 1698.15 1741.68 1756.76 1792.26 1794.98 1817.95 1832.18 1848.56 1859.26 1867.85 1878.99 1882.12 1901.32 1903.24 1921.34 1926.85 1959.24 1965.92 1986.33 1996.44 2008.84 2020.88 2031.09 2063.22 2072.04 2079.96 2093.28 2105.21 2119.71 2120.82 2160.25 2162.98 2178.01 2206.60 2213.33 2225.14 2236.36 2253.27 2261.80 2262.32 2275.02 2286.73 2287.10 2292.76 2307.42 2322.24 2343.38 2346.80 2348.80 2350.77 2354.39 2355.06 2362.64 2364.49 2370.53 2373.30 2375.09 2377.01 2386.06 2389.91 2409.85 2421.10 2446.53 2516.32 2553.36 2574.84 2605.53 2614.10 2638.95 2736.96 4602.50 4619.43 4632.05 4664.16 4671.35 4675.15 4678.07 4690.27 4700.61 4704.29 4713.30 4718.96 4728.15 4731.87 4735.16 4751.31 4755.28 4759.58 4788.01 4793.36 4809.98 4826.32 4831.11 4838.57 4844.05 4845.66 4845.96 4851.81 4856.88 4890.13 4911.17 5225.87 5553.56 0.627483 0.658388 0.659332 0.561461 -1592.095091 -1592.064185 -1592.063241 -1592.161113 3.282643D-04 MUNgauss RevisionA2.1 retrievium 09-Jun-2021 DUDE Cc1cc(c2c(c1)cc(c(=O)[nH]2)C[NH+](Cc3nnnn3Cc4ccc(cc4)OC)C[C@@H]5CCCO5)C C06300570 RHF 6-31G(d) (6D,10F) C1 489.261414 |X|Y|Z| 80.206529 99.191938 41.815409 69.290572 31 6 7 8 24 6 1 |36.858105| |12.614806|36.858105| |7.536688|13.531972|36.858105| |4.991813|7.768153|13.860551|36.858105| |4.420952|6.804746|8.023502|13.549097|36.858105| |4.994199|7.895545|6.938818|7.837716|13.691282|36.858105| |7.554614|13.918531|8.014607|6.786359|7.872459|13.556021|36.858105| |3.800265|5.093598|4.554610|5.113211|7.862556|13.248057|7.646844|36.858105| |3.060774|3.926912|3.805199|4.521194|6.785101|7.812257|5.115762|14.156632|36.858105| |2.901539|3.751404|3.955807|5.139813|7.801553|6.691479|4.480258|7.822601|12.996403|36.858105| |2.457751|3.046188|3.239227|4.079950|5.387379|4.693596|3.486778|5.369128|8.087470|15.712040|73.516695| |3.346910|4.555234|5.215342|7.851033|13.773637|7.992023|5.187187|7.000138|7.980964|14.039685|15.086433|53.358707| |3.044736|3.993351|4.792131|7.277587|9.225843|5.794979|4.254508|5.123769|5.814005|9.576813|14.051979|26.001587|0.500000| |2.536469|3.063678|2.938164|3.334605|4.422603|4.969773|3.818198|7.624339|12.684211|7.514855|11.954028|6.919691|0.117120|36.858105| |2.333107|2.748686|2.630011|2.926711|3.707061|4.113054|3.344905|5.715330|7.564904|5.582018|9.552675|5.645847|0.099682|12.579524|53.358707| |2.516926|2.963696|2.774116|3.031296|3.836974|4.446367|3.676151|6.255935|7.266148|5.168421|8.305724|5.555852|0.096876|9.276154|25.590324|0.500000| |2.172209|2.557812|2.533282|2.879714|3.569035|3.678921|2.994864|4.619039|6.126595|5.615794|10.718196|5.710987|0.105187|7.610313|17.365612|0.258010|36.858105| |2.102076|2.428263|2.390011|2.652762|3.165445|3.284046|2.794281|3.902241|4.587891|4.259425|7.744249|4.803030|0.090182|5.087075|10.621847|0.216532|12.733276|36.858105| |2.129493|2.418580|2.322147|2.504757|2.950269|3.178890|2.800611|3.775980|4.135343|3.641779|6.322609|4.262688|0.079250|4.564721|9.423779|0.225781|7.708837|14.731095|53.358707| |1.989538|2.220502|2.150395|2.294622|2.614924|2.759262|2.498957|3.110197|3.307899|3.054472|5.351326|3.730547|0.070980|3.486332|6.372696|0.145428|5.359026|9.070198|19.394902|53.358707| |1.899654|2.130073|2.109408|2.283725|2.576806|2.629466|2.357108|2.901098|3.154220|3.058731|5.511076|3.757995|0.073010|3.266829|5.744418|0.123660|5.302347|8.927585|12.187516|20.739565|53.358707| |1.954533|2.233686|2.239407|2.484891|2.865910|2.874291|2.493736|3.229867|3.691024|3.669504|6.834496|4.346654|0.084548|3.868799|6.961696|0.141683|7.543227|14.349376|12.178324|12.430325|19.508403|53.358707| |1.846798|2.112561|2.172844|2.448947|2.769824|2.666073|2.306907|2.900718|3.347544|3.570209|6.971242|4.314581|0.087210|3.408327|5.587698|0.109483|5.932560|7.450449|7.252486|7.459871|10.651170|17.639362|36.858105| |2.016823|2.342434|2.471628|2.851164|3.193739|2.950599|2.522301|3.091458|3.541679|4.011688|7.757323|5.062969|0.105206|3.360357|5.158580|0.102982|5.171780|5.778647|6.029100|6.062193|7.772226|10.450906|12.609042|36.858105| |2.057619|2.424982|2.620683|3.127189|3.520097|3.110081|2.597497|3.221382|3.803646|4.693153|9.702668|5.936271|0.129603|3.516975|5.057504|0.097921|4.962610|4.780704|5.055873|4.817007|5.679100|7.397216|7.540385|13.698637|36.858105| |2.187060|2.599178|2.912690|3.567354|3.850281|3.227318|2.708445|3.168681|3.611103|4.622264|9.061420|6.489594|0.152258|3.172349|4.345848|0.085980|3.918392|3.753338|4.237983|4.070865|4.617253|5.543440|5.014881|7.901680|13.807134|36.858105| |2.289861|2.696877|3.051109|3.651706|3.748899|3.164755|2.742368|2.999970|3.244053|3.922907|7.109849|5.810331|0.132288|2.816515|3.904341|0.079835|3.390488|3.430899|4.050957|4.016030|4.534734|5.132689|4.425258|6.818090|7.933963|13.699597|36.858105| |2.233768|2.584162|2.823221|3.232498|3.360263|2.994697|2.652680|2.890529|3.072400|3.494050|6.220917|4.981282|0.106621|2.729648|3.943272|0.082365|3.448704|3.742713|4.495469|4.651209|5.404611|5.881507|5.012956|7.881887|6.879218|7.927406|13.694919|36.858105| |2.095378|2.412014|2.554390|2.894614|3.135429|2.900961|2.547791|2.931858|3.191857|3.529951|6.431394|4.722913|0.098020|2.943678|4.457091|0.092744|4.105683|4.765010|5.512351|5.871267|7.382383|8.276879|7.563531|13.726073|7.983404|6.901333|7.941412|13.762373|36.858105| |2.364966|2.770700|3.251612|3.896864|3.727623|3.065275|2.717546|2.797180|2.939900|3.544304|6.270925|5.557699|0.130657|2.522659|3.400824|0.069791|2.830284|2.814633|3.425641|3.384012|3.709301|4.080191|3.374772|4.607792|5.303262|8.215927|14.184313|7.874562|5.208708|73.516695| |2.334395|2.655533|3.092358|3.497977|3.230660|2.752252|2.541956|2.486816|2.535947|2.916704|5.063176|4.534362|0.102049|2.203582|2.999198|0.062423|2.443225|2.490395|3.122819|3.148388|3.419200|3.621544|2.919326|3.778745|3.987235|5.260954|7.997958|6.703257|4.511152|24.084991|36.858105| |2.044247|2.330621|2.213510|2.401048|2.909037|3.217570|2.771678|4.200818|4.976671|3.973759|7.053158|4.304292|0.078534|7.606101|17.271985|0.264529|7.664157|6.063851|8.218050|5.860880|5.166000|5.900041|3.516452|3.115199|3.015910|2.613077|2.377347|2.421051|2.733606|3.740152|1.890420|36.858105| |2.114253|2.368968|2.188286|2.309976|2.766474|3.183197|2.850115|4.157995|4.456159|3.444506|5.837199|3.907535|0.070786|6.175045|10.386533|0.212110|4.996042|4.438014|6.615162|5.043042|4.329887|4.641705|2.823261|2.588082|2.508183|2.253460|2.102986|2.146117|2.364088|3.381081|1.738799|12.388064|36.858105| |2.134511|2.392367|2.204656|2.325028|2.789000|3.223376|2.887165|4.236690|4.519135|3.465026|5.844202|3.930941|0.071035|6.353441|8.800594|0.171012|4.379645|3.743997|5.329434|4.227608|3.745868|4.050865|2.554955|2.391304|2.371546|2.162761|2.009147|2.018128|2.186063|3.269779|1.678751|8.814346|17.598466|0.500000| |1.862276|2.034538|1.885765|1.963628|2.278865|2.568923|2.378069|3.151603|3.291041|2.713965|4.686748|3.189531|0.059072|4.152401|6.821126|0.141595|3.891384|3.755206|5.797411|4.734808|4.034912|4.148836|2.539647|2.289758|2.186431|1.968911|1.858858|1.918389|2.118846|3.003014|1.565168|7.471829|12.417181|0.243146|36.858105| |1.914499|2.072523|1.906471|1.963478|2.257131|2.558860|2.412973|3.072268|3.108107|2.585550|4.405135|3.105895|0.057569|3.677634|6.239389|0.140998|3.731368|3.919371|6.607046|5.532362|4.470781|4.375432|2.603286|2.343921|2.182724|1.970505|1.895500|1.995486|2.217174|3.052873|1.608513|5.874412|7.972064|0.161411|12.433998|36.858105| |2.247550|2.445343|2.195839|2.238193|2.604879|3.067785|2.925757|3.759965|3.617382|2.887345|4.747347|3.495335|0.063586|4.135576|6.809807|0.168683|3.860179|3.992591|6.783973|5.532358|4.444343|4.382044|2.607249|2.426707|2.273621|2.083641|2.023138|2.125821|2.328760|3.274913|1.727415|5.628976|8.123251|0.171361|8.027304|12.511263|36.858105| |2.409673|2.705947|2.437393|2.534848|3.056089|3.669630|3.341118|4.874520|4.807262|3.578798|5.795261|4.164897|0.074204|5.931578|9.894332|0.255385|4.821305|4.561592|7.273822|5.497412|4.558110|4.754050|2.838065|2.664977|2.548416|2.322688|2.212787|2.284368|2.498832|3.564807|1.847791|7.988974|13.540546|0.260542|8.081990|8.127449|13.331104|73.516695| |3.778511|4.964239|7.560057|12.607788|7.498242|4.987325|4.411754|3.839296|3.701006|4.484095|6.891174|8.944332|0.209891|2.888415|3.514681|0.072696|2.635047|2.438450|3.081884|2.873008|2.924688|3.198311|2.397885|2.850427|3.228025|3.897120|4.015213|3.352536|2.898563|8.239161|4.066861|2.154856|2.038858|0.056877|1.761219|1.753820|1.951416|3.883073|36.858105| |17.553385|8.845862|6.714772|4.591805|3.970469|4.288560|5.886108|3.358423|2.785180|2.684053|4.102480|4.209636|0.079635|2.335827|2.988979|0.065945|2.079256|2.046993|2.831012|2.687274|2.578107|2.626369|1.830110|2.009836|2.032023|2.173307|2.321030|2.288455|2.123732|4.298955|2.442316|1.930062|1.980375|0.054926|1.764242|1.833151|2.134994|4.007175|3.648882|0.500000| |17.588885|8.845548|5.555034|4.138749|3.944815|4.716662|7.225380|3.802157|3.018279|2.768343|4.185881|4.193385|0.077088|2.553490|3.218066|0.071543|2.162807|2.101826|2.942306|2.739073|2.581183|2.636121|1.806719|1.942880|1.961754|2.049443|2.128901|2.104198|2.008654|3.843299|2.128075|2.096331|2.211967|0.062120|1.955857|2.022404|2.407069|4.541874|3.206737|0.301894|0.500000| |17.554504|8.848038|6.710426|4.592020|3.972896|4.292028|5.892776|3.362680|2.786607|2.684654|4.100257|4.212363|0.079619|2.341652|2.905019|0.063009|1.994646|1.914881|2.620920|2.452866|2.357525|2.434863|1.707363|1.859910|1.915607|2.044098|2.123725|2.048383|1.918463|3.940423|2.188039|1.891186|1.953630|0.055293|1.731336|1.761046|2.038342|3.887036|3.648224|0.302196|0.301921|0.500000| |7.066940|8.909185|17.699531|9.036294|5.687523|4.984684|5.695818|3.622466|3.145074|3.303473|5.001408|5.727805|0.113020|2.525694|3.127013|0.066898|2.239500|2.137937|2.833532|2.664540|2.631218|2.769164|1.995149|2.268229|2.399357|2.691950|2.863856|2.649528|2.368418|5.580811|3.080997|1.970212|1.948752|0.054480|1.706635|1.729309|1.967611|3.820847|7.065964|0.192633|0.141223|0.192329|0.500000| |6.952774|8.961844|5.661744|4.906213|5.626501|8.892655|17.705987|7.037063|4.705972|3.908729|5.575399|5.731637|0.097975|3.745121|4.544282|0.103833|2.901489|2.736845|3.832543|3.407137|3.153292|3.289977|2.199127|2.349290|2.378702|2.428978|2.451627|2.417623|2.367527|4.269474|2.269153|2.836760|3.025886|0.085398|2.532964|2.591269|3.226929|6.483224|3.531842|0.151406|0.220050|0.151641|0.124578|0.500000| |3.725826|4.683179|3.964884|4.153190|5.622504|8.806592|7.042664|17.680212|9.068837|5.571581|7.618508|6.825965|0.110350|7.028326|7.672934|0.180758|4.271406|3.730022|5.161396|4.226017|3.832652|4.158922|2.685520|2.779496|2.821962|2.738627|2.625531|2.587847|2.658661|4.360785|2.227436|4.412244|4.743199|0.135652|3.528296|3.454619|4.452456|10.601340|3.218472|0.091029|0.108464|0.091242|0.090221|0.213886|0.500000| |2.296539|2.744157|2.701565|3.103705|3.997435|4.195397|3.291016|5.709884|8.902329|7.257706|13.625871|6.573121|0.116428|17.655159|12.352075|0.181536|7.188420|4.653273|5.457754|4.313590|4.170636|5.026846|3.399413|3.329640|3.601156|3.215017|2.773378|2.639318|2.845154|4.420013|2.149760|6.734458|5.196476|0.152229|3.751393|3.252976|3.474556|8.264745|2.789603|0.059067|0.063601|0.059801|0.065495|0.088412|0.143588|0.500000| |2.540632|3.010817|2.808939|3.084887|3.976751|4.684362|3.791657|7.163509|8.948442|5.643473|8.921483|5.819553|0.099872|17.695651|12.440991|0.219613|5.626989|4.235468|5.532558|4.313681|3.961599|4.503783|2.908695|2.846781|2.936959|2.702713|2.455468|2.398314|2.559934|3.984418|1.994903|7.466264|7.365185|0.239999|4.645490|3.945219|4.539147|12.226385|2.647790|0.064321|0.072326|0.065438|0.067389|0.107451|0.212869|0.300597|0.500000| |2.307927|2.776628|2.814590|3.306769|4.198302|4.130169|3.236832|5.066637|7.163941|7.513613|15.092311|7.174873|0.131904|7.527153|12.307411|0.205932|17.699006|8.927999|8.114930|6.253849|6.473791|9.134274|6.048700|5.991712|6.257731|4.858916|4.020373|3.940272|4.595208|5.856419|2.756465|5.643878|4.145885|0.106076|3.275677|3.162142|3.362341|7.370067|3.045972|0.061313|0.062894|0.058866|0.068552|0.084593|0.121922|0.204113|0.148239|0.500000| |1.956621|2.272200|2.266762|2.566193|3.102907|3.145742|2.613016|3.843005|4.997822|4.811774|9.872940|4.989177|0.094727|6.464232|12.363728|0.182832|17.605542|8.874893|8.208323|6.252252|6.392145|8.892852|5.691737|4.705351|4.655621|3.638196|3.090365|3.099478|3.667162|4.637140|2.255327|7.438321|4.683150|0.116698|3.798453|3.502008|3.449620|7.462478|2.401537|0.052053|0.054095|0.050517|0.056377|0.070547|0.100096|0.194624|0.140373|0.304174|0.500000| |1.764890|2.019479|2.079850|2.356430|2.681025|2.572966|2.211393|2.836532|3.356315|3.619593|7.398326|4.259163|0.086590|3.531158|5.719628|0.107000|6.247915|6.773986|6.514773|6.291503|8.075726|12.495983|17.609643|8.851435|7.243467|4.755681|3.964305|4.172965|5.587785|5.545976|2.671200|3.672663|2.871792|0.072879|2.576022|2.566354|2.531804|4.971009|2.321175|0.048205|0.048005|0.045676|0.053054|0.058627|0.072888|0.101513|0.083142|0.174963|0.186084|0.500000| |1.708932|1.924868|1.975536|2.192036|2.425720|2.346679|2.076387|2.517015|2.826538|2.975129|5.716779|3.690131|0.075070|2.882292|4.657510|0.092750|4.562882|5.751352|6.300056|7.040645|10.484013|12.743820|17.646804|8.808080|5.773503|4.252638|3.954418|4.621752|6.832779|5.508190|2.766120|3.067842|2.534656|0.063805|2.346270|2.433688|2.403633|4.529388|2.162220|0.047366|0.046537|0.044029|0.050967|0.055357|0.065698|0.079763|0.070194|0.125623|0.124761|0.302958|0.500000| |1.955815|2.298667|2.464854|2.936758|3.353361|2.992667|2.484311|3.180445|3.881963|4.844722|10.971693|5.790281|0.126032|3.732237|5.294080|0.098574|5.309177|4.719863|4.904408|4.545772|5.254870|6.977398|6.954714|8.875528|17.708236|8.998654|5.658569|4.954749|5.654348|7.636358|3.337750|3.188696|2.595608|0.068698|2.252172|2.202139|2.265447|4.568957|3.019642|0.053124|0.052079|0.050969|0.062598|0.063646|0.077636|0.110745|0.085657|0.187014|0.147655|0.220677|0.147977|0.500000| |2.163402|2.577057|2.938588|3.666753|3.895821|3.177685|2.659764|3.084820|3.528904|4.682225|9.432438|6.761487|0.170248|3.083092|4.066858|0.079489|3.551791|3.274270|3.754270|3.560289|3.943444|4.671702|4.083884|5.624226|8.903675|17.741641|8.948705|5.652220|4.968809|13.471217|4.871663|2.472774|2.150413|0.058181|1.876195|1.853940|1.959252|3.903379|4.200958|0.059277|0.055975|0.056865|0.075898|0.065827|0.073644|0.088557|0.073458|0.121569|0.093685|0.112903|0.098254|0.216342|0.500000| |2.244218|2.549778|2.777028|3.084288|3.109502|2.812901|2.568828|2.669657|2.755241|3.047559|5.315314|4.416638|0.093542|2.452416|3.532896|0.074828|2.987154|3.277382|4.103314|4.332686|4.919060|5.067941|4.103198|5.639028|4.959491|5.630062|8.854333|17.768496|8.967141|12.484180|7.411527|2.207802|1.997189|0.052223|1.805340|1.896962|2.028486|3.813488|3.189353|0.064919|0.058611|0.057031|0.073595|0.065358|0.067361|0.065346|0.060953|0.092213|0.074871|0.096245|0.109618|0.107625|0.124020|0.500000| |2.014657|2.278845|2.367808|2.611875|2.811318|2.679941|2.408128|2.726906|2.908894|3.087827|5.544556|4.108132|0.083720|2.737685|4.238016|0.089781|3.813017|4.702580|5.740238|6.582135|8.613544|8.489860|7.007934|8.908412|5.658972|4.965719|5.657532|8.973830|17.703827|7.469284|3.913100|2.665114|2.332269|0.059296|2.127033|2.268779|2.367910|4.414665|2.573175|0.057074|0.054161|0.051088|0.061320|0.063163|0.070258|0.072754|0.067265|0.112505|0.094902|0.140833|0.197588|0.123989|0.107777|0.218248|0.500000| |2.086380|2.333458|2.644995|2.935681|2.779161|2.432315|2.259491|2.248092|2.308329|2.615711|4.618879|3.932670|0.087300|2.051780|2.834918|0.058861|2.329616|2.413683|3.032159|3.111027|3.425732|3.585424|2.937787|3.766074|3.847125|4.844930|7.117802|6.726755|4.602758|16.429890|17.582527|1.810000|1.660280|0.044332|1.509850|1.556764|1.654677|3.118752|3.312445|0.060623|0.053523|0.054467|0.073133|0.056952|0.056652|0.055853|0.051751|0.071989|0.060326|0.074213|0.079206|0.089502|0.122069|0.218978|0.113342|0.500000| |2.571998|2.923130|3.389974|3.744810|3.422761|2.954840|2.772016|2.629669|2.624019|2.952835|4.993978|4.625610|0.101000|2.257515|3.088194|0.065273|2.484202|2.565274|3.269862|3.309150|3.548228|3.697670|2.891188|3.691773|3.745425|4.691704|6.936312|6.682577|4.543719|16.408744|17.571751|1.938045|1.798698|0.048065|1.617295|1.677893|1.820878|3.445704|4.165286|0.075924|0.064854|0.065994|0.093788|0.068548|0.065646|0.060243|0.057019|0.077353|0.062800|0.072525|0.075953|0.087218|0.118031|0.225913|0.112737|0.298655|0.500000| |2.312197|2.604201|3.086436|3.458792|3.088539|2.613846|2.444620|2.336066|2.365127|2.719343|4.713482|4.281972|0.097407|2.056198|2.757136|0.057154|2.211393|2.220583|2.802260|2.803115|3.006785|3.181359|2.541625|3.178411|3.418727|4.427179|5.885047|4.895345|3.618503|16.975024|17.660790|1.753511|1.626400|0.043970|1.467303|1.499374|1.609682|3.060774|4.207096|0.067293|0.058051|0.061066|0.087715|0.060478|0.058280|0.056008|0.052167|0.068933|0.057213|0.065857|0.067064|0.082442|0.121616|0.145224|0.089052|0.299996|0.300013|0.500000| |1.918751|2.164268|2.067423|2.231592|2.650900|2.884916|2.528592|3.605603|4.151889|3.502213|6.310228|3.905341|0.072487|5.605919|12.464970|0.221766|7.495813|7.010341|10.019607|6.989675|6.007722|6.741459|3.834595|3.241861|3.031818|2.583228|2.368701|2.460869|2.841771|3.690195|1.877170|17.673316|8.806929|0.174810|7.282697|6.379018|5.521066|11.941044|2.027169|0.050921|0.054571|0.049244|0.051585|0.071716|0.104041|0.143329|0.147779|0.147513|0.208061|0.110549|0.094092|0.088299|0.066956|0.062447|0.078389|0.050420|0.053462|0.048084|0.500000| |1.915159|2.179084|2.095862|2.289342|2.752730|2.972787|2.555667|3.798183|4.614078|3.862501|7.146859|4.151302|0.076855|7.158922|12.315692|0.183455|6.721097|5.052302|6.420967|4.922218|4.545597|5.268201|3.322169|2.950500|2.935645|2.544337|2.277923|2.281176|2.553597|3.605863|1.812777|17.605237|8.709657|0.221129|6.232153|4.686957|4.388460|10.272767|2.086244|0.050130|0.054219|0.049776|0.052130|0.071903|0.108070|0.205875|0.195509|0.145931|0.209689|0.099782|0.080865|0.088556|0.067950|0.057579|0.068414|0.048285|0.051094|0.047010|0.300197|0.500000| |1.710988|1.869152|1.757389|1.843467|2.125127|2.342670|2.154357|2.829519|3.029810|2.578171|4.562883|3.020200|0.056619|3.838055|6.348957|0.125294|3.846877|3.712221|5.559692|4.629843|4.031159|4.174110|2.580432|2.282051|2.178075|1.941787|1.819206|1.875849|2.087458|2.928248|1.522491|7.212724|8.672140|0.190576|17.577740|8.645798|5.713232|10.391592|1.677437|0.045248|0.049471|0.044446|0.044445|0.062778|0.085333|0.100607|0.114961|0.089038|0.109100|0.073853|0.066664|0.062973|0.051446|0.048846|0.058222|0.041024|0.043401|0.039642|0.213524|0.183669|0.500000| |1.820648|1.966371|1.811563|1.868115|2.147581|2.429521|2.287264|2.938175|3.002117|2.491206|4.278195|2.972014|0.055182|3.686988|5.607304|0.116306|3.265390|3.120512|4.716578|3.988195|3.464694|3.548075|2.227808|2.043381|1.972567|1.802281|1.708936|1.752018|1.907992|2.792888|1.463212|5.570552|8.845623|0.226808|17.582806|8.797602|6.809033|11.771065|1.674810|0.047710|0.053471|0.047318|0.045727|0.068333|0.092351|0.093646|0.117859|0.079010|0.088969|0.062793|0.057571|0.056398|0.048114|0.046085|0.053083|0.039160|0.041989|0.038357|0.144993|0.140192|0.302488|0.500000| |1.862480|2.027188|1.887704|1.960288|2.250181|2.509163|2.340781|2.985681|3.082491|2.615988|4.513575|3.132679|0.058440|3.626118|6.486483|0.146240|4.092259|4.570157|8.158190|6.842647|5.315155|5.081864|2.927501|2.567175|2.342501|2.083058|2.003224|2.135412|2.418065|3.188474|1.677541|6.023516|6.733530|0.137074|8.763805|17.578624|8.850774|12.067684|1.765972|0.049951|0.054116|0.047502|0.047661|0.068708|0.090647|0.090060|0.103344|0.094056|0.106607|0.079567|0.076391|0.065442|0.053877|0.056191|0.069495|0.045352|0.048556|0.043140|0.205697|0.131467|0.215873|0.173617|0.500000| |1.793918|1.910982|1.756534|1.791270|2.026025|2.281199|2.192063|2.666182|2.661380|2.261320|3.863136|2.765463|0.051705|3.059271|4.951050|0.109988|3.088791|3.262936|5.372303|4.787650|3.949011|3.797660|2.311789|2.095313|1.953695|1.780981|1.726559|1.819704|2.005252|2.804269|1.490993|4.450269|5.706673|0.129215|8.697206|17.605543|8.737932|10.350691|1.609648|0.047926|0.052854|0.046058|0.044648|0.065623|0.082838|0.076670|0.091101|0.074583|0.081716|0.063205|0.060995|0.054590|0.046713|0.048489|0.057334|0.040236|0.043205|0.038768|0.132898|0.105198|0.194182|0.218464|0.301754|0.500000| |2.354071|2.557719|2.290371|2.322167|2.686731|3.163951|3.047995|3.783359|3.576201|2.897814|4.726700|3.565913|0.064917|3.884637|6.484925|0.168000|3.870448|4.234415|7.603116|6.356684|4.919898|4.697453|2.745182|2.571181|2.365929|2.173071|2.141318|2.286898|2.514379|3.451345|1.832751|4.903490|6.018620|0.133185|5.750359|8.683805|17.651310|16.615628|2.017495|0.062834|0.070005|0.058588|0.057004|0.093191|0.122292|0.090558|0.113179|0.094816|0.093724|0.072429|0.070552|0.064414|0.056141|0.061050|0.071946|0.048801|0.054161|0.047134|0.138998|0.107313|0.127111|0.137569|0.220600|0.192427|0.500000| |2.270470|2.424496|2.147359|2.153861|2.475068|2.939649|2.889017|3.524821|3.289595|2.647179|4.326906|3.265130|0.059540|3.660560|5.582878|0.132820|3.238512|3.278608|5.315939|4.538319|3.770671|3.720443|2.282084|2.159057|2.048274|1.906869|1.861553|1.941076|2.090752|3.055215|1.622898|4.520959|6.515354|0.156906|6.719437|8.761588|17.582212|16.532703|1.871648|0.059574|0.068584|0.057427|0.053685|0.090544|0.118241|0.086707|0.114622|0.080782|0.081765|0.061782|0.058892|0.056690|0.050264|0.051861|0.058872|0.043106|0.047562|0.042332|0.119910|0.104225|0.136268|0.185803|0.174243|0.218345|0.300032|0.500000| |3.336604|4.257306|5.886177|8.813727|6.640985|4.555131|3.945899|3.680147|3.666007|4.569623|7.219854|8.922805|0.223524|2.900934|3.458075|0.070233|2.589075|2.347113|2.941069|2.723113|2.777427|3.066094|2.317608|2.719346|3.147273|3.759643|3.674404|3.039824|2.689441|7.384982|3.567528|2.135964|2.012424|0.056706|1.735858|1.705852|1.881375|3.769994|17.528353|0.087781|0.080503|0.091754|0.153524|0.089959|0.085794|0.079591|0.073931|0.083243|0.066588|0.063417|0.057967|0.084118|0.117355|0.079157|0.066235|0.083081|0.098031|0.103183|0.055455|0.058254|0.046153|0.046001|0.047580|0.043492|0.053403|0.050202|0.500000| |3.333314|4.252928|5.879265|8.800229|6.632515|4.551499|3.942264|3.676270|3.665967|4.573336|7.243712|8.912800|0.224524|2.892155|3.605711|0.074436|2.786251|2.607494|3.251227|3.058587|3.163644|3.482868|2.660814|3.273515|3.772106|4.830806|5.149761|4.064710|3.372990|11.196906|5.188153|2.194091|2.042780|0.056335|1.769886|1.772036|1.957469|3.881274|17.530821|0.091652|0.080443|0.087692|0.153353|0.089882|0.085642|0.077949|0.072370|0.090775|0.070312|0.070876|0.066402|0.095230|0.144898|0.105983|0.081309|0.112103|0.144780|0.146792|0.057929|0.058866|0.047078|0.046379|0.050072|0.045075|0.056588|0.051634|0.300941|0.500000| 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