Version2.0 2020-05-17T07:33:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@@H](CC[NH2+]C2CCN(CC2)c3cccc(c3)NC(=O)c4cccnc4)c5ccco5 C11790645 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@@H](CC[NH2+]C2CCN(CC2)c3cccc(c3)NC(=O)c4cccnc4)c5ccco5 C01[X(C30H33N4O2)] 201 C1 606 O=C(c1cccnc1)Nc1cccc(c1)N1CCC(CC1)[NH2+]CC[C@@H](c1ccco1)c1ccccc1 O=C(c1cccnc1)Nc1cccc(c1)N1CCC(CC1)[NH2+]CC[C@@H](c1ccco1)c1ccccc1 O=C(Nc1cccc(c1)N2CCC(CC2)[NH2+]CC[C@@H](c3occc3)c4ccccc4)c5cccnc5 InChIKey=CCLNOQVEZJHIJC-MUUNZHRXSA-O InChI=1S/C30H32N4O2/c35-30(24-9-5-16-31-22-24)33-26-10-4-11-27(21-26)34-18-14-25(15-19-34)32-17-13-28(29-12-6-20-36-29)23-7-2-1-3-8-23/h1-12,16,20-22,25,28,32H,13-15,17-19H2,(H,33,35)/p+1/t28-/m1/s1 InChI=1/C30H32N4O2/c35-30(24-9-5-16-31-22-24)33-26-10-4-11-27(21-26)34-18-14-25(15-19-34)32-17-13-28(29-12-6-20-36-29)23-7-2-1-3-8-23/h1-12,16,20-22,25,28,32H,13-15,17-19H2,(H,33,35)/p+1/t28-/m1/s1/fC30H33N4O2/h32-33H/q+1 c1ccc(cc1)[C@@H](CC[NH2+]C2CCN(CC2)c3cccc(c3)NC(=O)c4cccnc4)c5ccco5 C01[X(C30H33N4O2)] 201 C01 606 O=C(c1cccnc1)Nc1cccc(c1)N1CCC(CC1)[NH2+]CC[C@@H](c1ccco1)c1ccccc1 O=C(c1cccnc1)Nc1cccc(c1)N1CCC(CC1)[NH2]CC[C@@H](c1ccco1)c1ccccc1 O=C(Nc1cccc(c1)N2CCC(CC2)[NH2]CC[C@@H](c3occc3)c4ccccc4)c5cccnc5 InChIKey=GHDHSRDOFUZEFT-MUUNZHRXSA-N InChI=1S/C30H33N4O2/c35-30(24-9-5-16-31-22-24)33-26-10-4-11-27(21-26)34-18-14-25(15-19-34)32-17-13-28(29-12-6-20-36-29)23-7-2-1-3-8-23/h1-12,16,20-22,25,28H,13-15,17-19,32H2,(H,33,35)/t28-/m1/s1 InChI=1/C30H33N4O2/c35-30(24-9-5-16-31-22-24)33-26-10-4-11-27(21-26)34-18-14-25(15-19-34)32-17-13-28(29-12-6-20-36-29)23-7-2-1-3-8-23/h1-12,16,20-22,25,28H,13-15,17-19,32H2,(H,33,35)/t28-/m1/s1/f/h33H 3358.9038596317 -1522.5830373 1-A 40284.0893 128 478 606 |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| -20.72579 -20.60000 -15.84984 -15.67453 -15.66415 -15.62717 -11.44342 -11.43716 -11.42881 -11.38448 -11.37442 -11.37327 -11.37176 -11.37126 -11.37113 -11.36967 -11.36555 -11.36281 -11.35035 -11.34415 -11.33591 -11.32986 -11.31907 -11.31894 -11.31648 -11.31521 -11.31271 -11.31136 -11.31071 -11.31032 -11.30952 -11.30891 -11.30763 -11.30444 -11.29815 -11.29538 -1.56507 -1.48467 -1.47056 -1.36318 -1.33501 -1.32901 -1.25755 -1.24095 -1.21766 -1.19938 -1.17861 -1.16272 -1.16135 -1.14034 -1.11535 -1.10034 -1.09586 -1.09540 -1.08300 -1.05234 -1.01839 -1.00140 -0.97656 -0.96733 -0.95043 -0.92952 -0.92037 -0.91611 -0.91235 -0.90306 -0.89457 -0.89359 -0.85489 -0.85169 -0.83503 -0.82312 -0.81864 -0.81463 -0.79877 -0.78083 -0.77413 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1.4472 2.2205 1.4400 2.5665 2.3065 2.3076 2.0283 2.5125 2.3427 1.7407 2.1285 2.3883 2.5208 3.1342 1.8427 2.6549 1.6761 1.3807 1.4769 2.1779 1.5399 1.1548 1.7590 1.6628 1.8134 1.9480 1.4078 2.1990 2.6623 1.5433 1.3289 1.7080 1.5176 1.2293 1.3712 1.4452 1.5705 1.3640 1.2345 1.3042 1.3113 1.2872 1.3322 1.3046 1.3514 1.8805 1.7062 1.4134 2.2270 1.5233 2.2827 1.3672 1.1125 2.0866 1.1054 1.1148 1.0933 1.0936 2.2487 1.2693 1.9320 2.1347 4.8671 2.1020 5.0431 5.1567 4.1159 5.1509 5.2384 5.5703 5.9483 1.0748 9.3473 1.0746 1.0737 1.0605 1.0648 1.0625 1.0864 1.1036 1.0967 1.1002 1.0893 1.0757 1.0911 1.0926 1.0898 1.0910 1.0922 1.0895 1.0883 1.1056 1.0922 1.0908 1.0959 1.0951 1.0989 1.0943 1.0969 1.0963 1.0969 1.0939 1.1071 1.0556 1.0954 1.0778 0.0001 0.0003 0.0007 0.0013 0.0012 0.0022 0.0044 0.0068 0.0082 0.0114 0.0134 0.0173 0.0229 0.0325 0.0304 0.0182 0.0689 0.0715 0.0965 0.1145 0.1010 0.1446 0.0724 0.1361 0.2250 0.2278 0.2338 0.2499 0.3120 0.3345 0.2769 0.3095 0.3349 0.4097 0.3561 0.5391 0.3256 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7.0008 7.0202 7.2029 7.2607 7.2807 7.2701 7.2722 7.3927 7.3438 7.3369 7.4039 7.4054 7.4730 7.4554 7.5474 7.6357 7.7026 7.7682 7.9285 8.3439 8.9618 9.6455 0.1367 1.1746 0.9617 1.1307 0.4586 0.0358 1.7077 2.7444 0.6558 3.5523 1.4986 1.7705 0.8573 6.3671 1.7022 1.5575 4.1839 4.8923 2.2768 6.3692 3.6060 0.5155 0.2485 0.8672 1.6393 0.7932 6.5487 0.2383 8.8901 10.9848 2.6561 0.7512 1.5798 5.1125 0.1362 7.8689 4.2906 0.2294 1.8082 0.0650 6.0028 3.5819 17.3262 67.6127 10.1387 13.0130 10.9921 6.3894 0.1680 8.5484 2.5383 3.4218 0.1779 18.3423 10.5448 11.0712 23.5955 31.2140 3.4532 51.0881 12.4822 48.9859 46.7724 4.9985 20.9162 14.9583 6.2734 2.1962 5.6937 7.2782 0.4067 1.0212 5.3636 31.4214 15.3723 1.4475 24.4751 22.9699 8.5978 12.0117 4.6744 2.7552 74.9271 1.4963 7.6962 1.3636 2.2336 8.0874 15.2596 0.1410 5.5946 9.6731 63.6834 1.7541 6.9726 2.7021 0.7657 0.3048 12.7659 0.1190 4.4629 11.4975 21.6901 7.8552 4.2503 2.4125 1.4763 38.1859 44.4960 4.8165 18.3163 18.0533 12.0080 55.9091 11.1382 26.3120 1.2780 8.5856 2.1374 43.0899 4.6222 8.2109 15.4313 26.5464 32.3807 7.9264 234.6836 104.1457 3.9319 25.5773 92.9389 7.8212 3.6059 20.1629 4.4724 7.0734 3.5536 0.8555 7.0264 1.7767 4.8195 30.4554 178.7182 124.6869 6.0464 38.3539 113.7173 0.4376 11.4955 7.1818 4.0529 11.7033 4.5013 38.6399 45.7363 246.9165 18.1531 20.1614 406.6278 21.6071 2.6857 41.4982 314.4376 4.1416 58.8228 3.3469 53.4592 294.7984 13.7645 64.5295 22.3333 20.9776 19.8436 7.6237 14.9180 20.0490 6.8004 13.0858 23.6005 16.1875 10.4229 12.8319 39.6332 10.2378 11.9007 0.5155 3.9642 11.2311 12.0370 16.7959 24.1695 14.6680 13.8683 4.4801 2.9825 0.0825 5.5998 0.5529 34.1182 47.9975 27.2327 1.4924 0.5374 4.2756 3.9122 1.2284 5.2667 2.0664 0.8002 6.2522 1.1539 4.2085 2.6318 1.6277 3.2666 2.0497 0.6431 2.4353 2.2784 5.3519 0.4676 0.5328 2.7226 0.3652 0.5651 1.2284 0.6507 1.1398 1.0320 2.2978 1.1241 0.4154 0.4696 0.6215 0.7273 0.0735 0.6298 0.9560 2.0418 0.6019 2.0054 2.1388 0.8454 0.4988 0.9739 1.4184 2.3803 1.2975 1.8316 5.2570 6.7372 2.3833 1.3827 4.0130 0.6223 0.5468 10.5077 0.1469 3.2166 9.4239 3.4977 0.5621 1.0735 1.3938 6.4180 2.1807 1.1167 8.6839 2.3756 1.3042 3.3836 1.9785 1.6877 5.4972 9.8336 1.3846 1.9996 4.1222 4.1853 1.1850 0.7142 1.5806 6.9483 3.7010 2.4014 59.5892 28.5355 7.5870 1.4012 3.4065 0.4229 6.5005 15.2569 4.4011 0.5919 20.0716 6.8236 25.3184 1.7085 9.9149 6.6774 11.2597 3.0367 3.9551 3.9431 7.0276 3.9865 4.9867 2.9236 5.5976 8.9853 18.8889 3.1401 2.3414 8.8683 6.6178 7.7186 5.9253 5.4575 6.4099 4.9915 14.8639 5.5954 1.2779 8.0146 1.3567 7.2946 25.0458 27.0237 13.5745 2.0707 10.8115 19.6949 7.6055 30.6482 1.1427 8.9759 2.0583 7.2568 1.5190 2.5431 4.9636 6.4933 13.0952 7.1435 1.3674 5.3540 1.5461 12.1578 1.5298 19.9526 1.3476 6.0393 5.4512 0.2935 14.6970 6.7037 0.8349 78.6915 41.7866 6.0105 8.5905 44.7406 124.3338 33.6010 6.2013 30.3275 9.3521 79.7552 7.3786 79.0249 60.2051 65.8721 66.1134 31.6494 55.0227 39.5212 39.5350 22.9557 78.0674 50.1969 90.5491 43.2991 66.3541 35.1816 51.7838 57.5694 24.5047 101.9775 101.4000 152.2468 23.0052 280.9522 154.7186 111.8371 60.6934 85.4061 65.6963 105.1005 30.6247 19.2626 50.6218 0.7497 0.7442 0.7499 0.7500 0.7480 0.7500 0.7454 0.7374 0.7463 0.7328 0.7464 0.7495 0.7446 0.7115 0.5518 0.6173 0.0843 0.6988 0.7408 0.7491 0.7414 0.7077 0.6916 0.6515 0.7344 0.7476 0.6540 0.0943 0.3558 0.6018 0.7141 0.4955 0.7419 0.4812 0.7172 0.4574 0.3429 0.5100 0.2159 0.2673 0.2984 0.7420 0.5108 0.6376 0.7495 0.4326 0.7360 0.7381 0.6991 0.7445 0.7203 0.7236 0.2994 0.5031 0.6464 0.1294 0.4916 0.7424 0.0536 0.5946 0.7366 0.7493 0.5880 0.2167 0.5909 0.0783 0.3556 0.5672 0.7056 0.4987 0.7408 0.7373 0.7496 0.1197 0.7284 0.5383 0.4249 0.1771 0.3042 0.3037 0.4574 0.7056 0.1540 0.7266 0.1332 0.1900 0.2486 0.7500 0.4332 0.6552 0.2415 0.1294 0.7498 0.7498 0.1486 0.2895 0.2384 0.6776 0.5191 0.2499 0.5358 0.1731 0.3013 0.6392 0.6376 0.7228 0.2362 0.6352 0.6201 0.4136 0.3172 0.7430 0.7492 0.2014 0.1821 0.7401 0.5506 0.5793 0.3221 0.4421 0.7053 0.7485 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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 1 6 6 7 1 1 6 6 6 7 6 6 6 6 6 6 6 6 7 6 8 6 6 6 6 7 6 6 6 6 6 8 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 1.00783 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8394.0689 69500.2638 72060.5142 1.00000 0.00065 0.00178 -0.00066 0.99999 0.00531 -0.00178 -0.00531 0.99998 1 0.01032 0.00125 0.00120 0.21500 0.02597 0.02504 7.39 13.39 19.90 31.26 36.64 44.41 56.73 66.27 78.79 89.02 96.60 106.28 124.90 162.87 166.06 169.45 223.74 249.54 275.53 316.41 325.21 344.53 357.23 365.23 410.35 425.71 449.05 459.55 480.20 487.20 522.31 569.67 625.08 636.03 654.60 663.54 686.22 727.22 734.90 747.19 768.87 778.54 813.96 818.29 895.15 931.65 944.18 955.35 972.87 979.94 1010.84 1023.94 1052.94 1112.54 1115.97 1123.23 1126.65 1140.93 1174.49 1189.91 1207.24 1235.66 1243.55 1269.46 1293.23 1296.15 1307.67 1328.39 1344.94 1377.87 1380.82 1382.90 1394.57 1409.67 1422.66 1455.69 1467.89 1469.59 1481.15 1496.24 1504.08 1515.77 1523.17 1538.82 1563.93 1567.83 1573.70 1588.52 1591.39 1593.73 1609.65 1611.47 1619.55 1622.78 1628.30 1636.00 1639.04 1642.98 1646.21 1655.87 1680.20 1708.29 1713.87 1732.51 1733.34 1745.71 1759.79 1761.30 1772.12 1794.02 1822.66 1834.01 1843.29 1856.55 1869.62 1877.07 1883.31 1911.05 1916.89 1928.63 1936.17 1938.72 1976.42 2008.63 2019.15 2030.11 2038.18 2044.17 2072.02 2082.29 2097.51 2120.86 2122.52 2138.67 2146.79 2156.06 2167.83 2182.85 2186.76 2212.74 2230.79 2239.16 2252.34 2267.26 2276.00 2279.20 2293.08 2334.59 2335.78 2352.49 2364.10 2372.57 2375.22 2379.51 2390.97 2397.45 2404.75 2455.94 2496.04 2563.80 2569.19 2581.72 2600.86 2602.10 2606.18 2608.36 2623.57 2823.34 4521.79 4530.02 4610.63 4625.22 4630.70 4647.63 4670.75 4698.05 4700.54 4716.61 4729.98 4748.04 4751.25 4818.84 4835.49 4839.48 4841.90 4845.41 4847.06 4860.49 4861.31 4872.05 4874.33 4887.98 4892.46 4916.86 4946.79 4967.21 4995.13 5016.18 5269.82 5361.46 5607.45 0.630057 0.659781 0.660725 0.560382 -1521.952980 -1521.923257 -1521.922313 -1522.022655 3.365487D-04 MUNgauss RevisionA2.0 retrievium 17-May-2020 DUDE c1ccc(cc1)[C@@H](CC[NH2+]C2CCN(CC2)c3cccc(c3)NC(=O)c4cccnc4)c5ccco5 C11790645 RHF 6-31G(d) (6D,10F) C1 481.260352 |X|Y|Z| 56.148804 42.153850 188.027645 76.348379 35 6 7 8 30 4 1 |36.858105| |13.768216|36.858105| |7.939719|13.739452|36.858105| |6.830703|7.897439|13.722058|36.858105| |7.926214|6.879667|7.959693|13.690876|36.858105| |13.739596|7.956683|6.896178|7.908508|13.763341|36.858105| |4.414196|5.007964|7.562231|12.473742|7.472557|4.987173|36.858105| |4.017628|4.843056|7.467988|8.991191|5.612010|4.212001|17.556491|0.500000| |3.779692|4.120703|5.531588|7.577101|5.913137|4.275037|12.336631|0.246805|36.858105| |2.917757|3.165905|4.016392|4.902415|4.100461|3.208457|7.458657|0.191580|12.492348|36.858105| |2.572386|2.729178|3.275103|3.814098|3.413586|2.809067|4.918712|0.127461|7.675167|12.660072|53.358707| |2.647954|2.836736|3.382006|3.816766|3.386675|2.840698|4.681948|0.123638|7.315725|9.256007|25.681740|0.500000| |2.581166|2.667288|3.138872|3.734726|3.504676|2.882436|4.632547|0.114563|7.106837|9.232636|25.674055|0.329740|0.500000| |2.145815|2.272991|2.659887|2.984143|2.709360|2.304456|3.714597|0.101005|4.899164|7.385294|17.107734|0.256081|0.255448|36.858105| |1.963995|2.057586|2.339458|2.566632|2.389207|2.091801|3.010790|0.081520|3.866033|4.927131|10.489251|0.207556|0.195576|12.476281|36.858105| |1.705132|1.782430|2.000189|2.163055|2.027153|1.801878|2.502327|0.068786|3.023330|3.752813|6.768315|0.131807|0.129642|7.606568|12.454703|36.858105| |1.641659|1.701061|1.906531|2.087591|1.978813|1.752261|2.428770|0.066160|2.872275|3.584029|6.129154|0.112280|0.122656|6.651616|7.823456|13.129594|53.358707| |1.725754|1.798764|2.045015|2.263212|2.120581|1.850083|2.710604|0.074264|3.168375|4.161962|6.736316|0.116374|0.130567|7.622049|6.575665|7.899769|17.870399|36.858105| |1.997245|2.084192|2.415838|2.747746|2.554279|2.171927|3.417250|0.091656|4.199667|6.047748|10.347832|0.157507|0.198514|12.483513|7.551519|6.550611|10.611181|12.442923|36.858105| |1.460982|1.508304|1.669123|1.806264|1.725198|1.549646|2.061330|0.056484|2.363253|2.835177|4.576091|0.086420|0.092295|4.457689|5.096978|7.858665|18.040691|7.858076|5.088104|36.858105| |1.375093|1.428969|1.578119|1.686454|1.598521|1.444357|1.917661|0.053331|2.156644|2.569535|4.005791|0.076888|0.078837|3.822682|4.189986|6.171893|10.480975|6.172426|4.186063|13.728361|36.858105| |1.251679|1.294910|1.416218|1.504590|1.436889|1.310893|1.686789|0.046882|1.867857|2.169610|3.310271|0.064226|0.065940|2.998039|3.258001|4.370549|6.962501|4.370155|3.255593|7.977096|13.766664|36.858105| |1.204461|1.236056|1.342912|1.431028|1.381691|1.266319|1.589653|0.043785|1.757876|2.010286|3.068274|0.059565|0.062349|2.703424|2.963445|3.805667|6.143032|3.804887|2.960888|6.841292|7.879249|13.758549|36.858105| |1.261192|1.286585|1.397945|1.502413|1.461416|1.335799|1.669053|0.045490|1.864976|2.130648|3.304029|0.063697|0.068424|2.903029|3.238371|4.117743|6.990601|4.116980|3.234805|7.885864|6.825548|7.955391|13.688750|36.858105| |1.389226|1.419337|1.554826|1.685692|1.634687|1.479621|1.894705|0.051383|2.156386|2.511428|4.007026|0.076193|0.083460|3.646430|4.169987|5.558564|10.735825|5.557355|4.163325|13.781736|7.946265|6.933793|7.929543|13.671047|36.858105| |1.205515|1.220463|1.315828|1.414629|1.390644|1.279678|1.553632|0.042079|1.725752|1.933395|2.971411|0.057573|0.062448|2.519223|2.790684|3.333581|5.408370|3.328122|2.784890|5.195907|4.543701|5.134974|7.718516|13.568342|7.995005|53.358707| |1.110777|1.122801|1.203354|1.286403|1.267692|1.174711|1.401443|0.038064|1.537500|1.702028|2.570703|0.050129|0.053810|2.139337|2.330203|2.715034|4.245604|2.729455|2.338126|3.890488|3.666566|4.315021|6.272640|7.632595|5.156466|18.955439|36.858105| |1.063139|1.078375|1.155418|1.229038|1.205941|1.119276|1.338995|0.036590|1.458368|1.615683|2.416351|0.047228|0.050068|2.014544|2.170927|2.541379|3.926944|2.575153|2.191579|3.616906|3.625649|4.516502|6.622514|6.556423|4.465943|11.460101|15.907456|73.516695| |1.075399|1.080123|1.150378|1.230138|1.222550|1.139370|1.327900|0.035885|1.451710|1.584205|2.380600|0.046600|0.050300|1.936879|2.101581|2.366522|3.624944|2.367269|2.100786|3.130511|2.902603|3.240488|4.223245|5.033594|3.993858|10.702954|12.720247|14.408007|36.858105| |1.005520|1.008714|1.070382|1.140978|1.135819|1.063069|1.226049|0.033197|1.326656|1.438229|2.131570|0.041777|0.044887|1.716727|1.833459|2.037231|3.088975|2.072066|1.858907|2.616849|2.491476|2.788520|3.492869|3.864230|3.173675|7.105649|7.686402|12.040156|13.693728|36.858105| |0.972776|0.971572|1.025818|1.092585|1.093827|1.028897|1.165682|0.031476|1.257079|1.348953|1.990445|0.039143|0.042096|1.580353|1.682715|1.834753|2.744900|1.856301|1.699206|2.261416|2.140891|2.337797|2.814045|3.105304|2.684854|5.422648|5.086734|8.106281|7.986673|13.818240|36.858105| |1.000950|0.996052|1.049318|1.119532|1.126039|1.061100|1.189841|0.031987|1.289127|1.375486|2.041248|0.040255|0.043479|1.608239|1.725815|1.861183|2.763446|1.853417|1.718417|2.240264|2.081819|2.225495|2.644559|2.994288|2.671433|5.228723|4.529913|6.881514|7.034944|8.023690|13.731138|36.858105| |1.064822|1.059648|1.118795|1.197029|1.203988|1.131336|1.275047|0.034186|1.394162|1.491501|2.239784|0.044192|0.047958|1.770718|1.926655|2.082829|3.095968|2.037830|1.888133|2.511253|2.284647|2.416535|2.895101|3.403801|3.066318|6.145343|5.049081|7.185417|7.975487|6.873940|7.987260|14.434816|53.358707| |1.106316|1.106221|1.174777|1.258779|1.258312|1.175301|1.351884|0.036328|1.486794|1.609650|2.437831|0.047918|0.052032|1.960538|2.152409|2.380180|3.594281|2.321515|2.105372|3.004544|2.706381|2.901934|3.617408|4.441326|3.829687|8.897272|7.469070|9.434918|13.726613|8.012558|7.051760|8.429957|19.655755|36.858105| |3.709003|3.937456|5.190080|7.498562|6.198538|4.331489|12.672785|0.253971|7.565142|6.352209|5.923543|0.108633|0.118066|3.502228|2.811661|2.403863|3.290277|2.764240|3.483903|2.067977|1.919842|1.695918|1.605536|1.689625|1.913734|2.147296|1.425590|2.421706|1.352054|1.252918|1.191058|1.211877|1.760805|1.370772|36.858105| |3.210634|3.426201|4.305575|5.397747|4.651457|3.595588|7.313968|0.193443|5.094396|4.859667|4.841595|0.089308|0.095379|3.074687|2.495182|2.206161|3.060180|2.600545|3.156386|1.959352|1.845592|1.643546|1.552419|1.618677|1.813105|2.056534|1.375258|2.351875|1.302154|1.214736|1.153834|1.166731|1.683845|1.310023|14.215084|36.858105| |2.804049|2.864187|3.388858|4.176451|3.993738|3.204327|5.123275|0.129995|4.140584|4.100761|4.382418|0.079785|0.089318|2.866912|2.362944|2.123804|3.020183|2.574996|3.086441|1.953437|1.828028|1.639737|1.564126|1.640935|1.832242|2.100611|1.407708|2.401620|1.338714|1.252771|1.192262|1.204770|1.734045|1.345767|8.557718|13.214548|36.858105| |2.905293|2.885260|3.385170|4.360473|4.427808|3.455680|5.306749|0.124542|4.597891|4.450375|4.844818|0.086902|0.102710|3.082451|2.547401|2.251911|3.220093|2.722439|3.351664|2.059707|1.892126|1.691134|1.626642|1.729945|1.950055|2.226562|1.482555|2.507214|1.416560|1.318698|1.257693|1.279072|1.851246|1.435292|8.737604|8.595486|14.257155|36.858105| |3.413559|3.413853|4.173513|5.881939|5.875762|4.179527|7.804045|0.161284|6.655230|5.826819|5.953977|0.106412|0.127101|3.521267|2.865617|2.445664|3.416495|2.857966|3.651255|2.142156|1.954544|1.729732|1.656595|1.766760|2.011911|2.263589|1.497348|2.524303|1.428283|1.320670|1.258624|1.286172|1.873919|1.455939|14.082091|8.634889|8.621445|14.085012|73.516695| |17.726306|8.915059|5.644971|4.930704|5.641084|8.906081|3.534143|0.091330|3.135263|2.514433|3.087301|0.064996|0.063426|1.927694|1.789713|1.570048|2.058654|1.578333|1.802637|1.357737|1.281733|1.173975|1.133504|1.185293|1.297783|1.548870|1.053219|1.793880|1.023400|0.959716|0.931411|0.959229|1.385980|1.053951|3.082246|2.746668|2.458390|2.538083|5.150146|0.500000| |8.915197|17.722641|8.922867|5.632682|4.955917|5.650995|4.093602|0.115249|3.492856|2.809673|3.357301|0.071722|0.066428|2.098571|1.920241|1.681341|2.174401|1.680978|1.919905|1.427149|1.362009|1.239404|1.181454|1.223438|1.342234|1.579601|1.071602|1.835592|1.030625|0.964629|0.929483|0.951535|1.374976|1.053741|3.321025|2.995074|2.531578|2.514403|5.150608|0.214660|0.500000| |5.653227|8.938896|17.692705|8.901634|5.648043|4.962186|7.037406|0.230825|5.287376|4.080484|4.486181|0.095238|0.085298|2.721484|2.377403|2.043340|2.631099|2.082577|2.443241|1.693060|1.614683|1.445539|1.360682|1.406863|1.563150|1.791445|1.203852|2.062915|1.145040|1.065405|1.017740|1.037549|1.504384|1.164370|4.856952|4.212699|3.250895|3.157963|6.762296|0.124294|0.216267|0.500000| |5.649263|4.956321|5.649832|8.887629|17.725836|8.949400|6.905663|0.140384|5.915579|4.237560|4.842294|0.095373|0.104681|2.815963|2.471059|2.094091|2.821459|2.230721|2.716689|1.801103|1.653526|1.484852|1.434729|1.528379|1.716752|1.985711|1.326132|2.233506|1.281663|1.189049|1.145751|1.181596|1.722251|1.321991|6.652074|4.848669|4.423860|5.300627|13.108317|0.124287|0.107589|0.123976|0.500000| |8.912365|5.653728|4.964368|5.636786|8.936817|17.721347|4.071061|0.096644|3.660805|2.861652|3.501603|0.071841|0.074498|2.142311|1.969776|1.710156|2.279179|1.756768|2.045325|1.490641|1.385596|1.264333|1.229318|1.301217|1.436219|1.708398|1.155372|1.953096|1.127065|1.053674|1.024055|1.059071|1.535557|1.166474|3.757883|3.200598|2.981200|3.270211|6.798102|0.214731|0.124170|0.107686|0.216552|0.500000| |3.928712|4.422747|5.908291|7.124636|5.469481|4.232520|8.872387|0.214699|17.538440|8.850780|9.516406|0.218460|0.174033|4.609024|3.845494|2.982986|3.735421|2.940147|3.750481|2.275250|2.092711|1.818011|1.707736|1.803116|2.073865|2.271570|1.490759|2.518315|1.408530|1.286835|1.220826|1.253955|1.847535|1.445824|5.539509|4.125745|3.400762|3.666129|8.695621|0.090767|0.105491|0.161131|0.141849|0.099605|0.500000| |3.814223|3.908098|4.901811|6.913740|6.424378|4.564810|8.836029|0.174326|17.560999|8.866447|9.616347|0.183427|0.214091|4.577931|3.775442|2.948041|3.870910|3.083780|4.087611|2.345864|2.109119|1.837473|1.751418|1.880600|2.179474|2.393356|1.564070|2.619012|1.488174|1.357736|1.291965|1.332653|1.967944|1.535897|6.837003|4.641924|4.059140|4.827739|12.894239|0.088449|0.091164|0.123194|0.196827|0.111739|0.302494|0.500000| |2.738219|2.910061|3.618635|4.489378|3.919490|3.061575|6.756766|0.169189|8.785013|17.686115|12.390370|0.181349|0.223697|6.747891|4.504601|3.614128|4.974527|4.452374|6.740253|2.903633|2.614798|2.211839|2.058460|2.191414|2.587567|2.710148|1.751359|2.952688|1.629326|1.481871|1.388004|1.411258|2.077746|1.648811|7.103164|5.558440|4.901229|5.452804|12.452318|0.066007|0.071749|0.100539|0.117038|0.077122|0.173075|0.210674|0.500000| |2.771727|3.093642|3.950115|4.516662|3.653757|2.946386|6.689530|0.201833|8.754380|17.615908|12.416796|0.219157|0.181147|6.953564|4.680908|3.711530|4.727991|4.072483|5.522894|2.787181|2.595329|2.186189|1.995505|2.079308|2.426838|2.545726|1.655110|2.818272|1.530660|1.394331|1.303794|1.321948|1.942809|1.543429|5.605906|4.669272|3.816339|3.890178|8.490630|0.066800|0.077888|0.117470|0.101210|0.072606|0.211566|0.172922|0.301010|0.500000| |2.113735|2.278811|2.686461|2.945012|2.609209|2.231828|3.691996|0.104941|4.662039|7.029354|12.468916|0.219456|0.181544|17.586782|8.841287|6.757462|7.771281|6.758546|8.830478|4.124083|3.776658|2.964562|2.610021|2.717311|3.312336|3.189065|2.017975|3.427467|1.818311|1.625545|1.494638|1.510233|2.244530|1.822072|3.432548|3.083875|2.809150|2.921418|5.872160|0.052764|0.059019|0.078174|0.073892|0.057147|0.125021|0.114827|0.172668|0.218268|0.500000| |2.004340|2.117774|2.399196|2.582035|2.381885|2.106408|2.975591|0.081531|3.827543|4.648887|9.480145|0.221072|0.170056|8.806872|17.523263|8.835184|7.682198|4.921548|5.495250|4.182871|3.659006|2.941273|2.674532|2.860445|3.520218|3.406596|2.131116|3.559111|1.938367|1.704494|1.574539|1.617466|2.447875|1.990611|2.693188|2.383094|2.220384|2.370266|4.781839|0.050834|0.055287|0.068252|0.067283|0.054806|0.111046|0.102073|0.112716|0.126758|0.216010|0.500000| |1.977699|2.039086|2.294503|2.547174|2.428271|2.131893|2.936229|0.077567|3.793263|4.592371|9.696840|0.189595|0.212677|8.853303|17.532603|8.906195|9.633035|5.758529|6.784764|4.832354|3.816752|3.069954|2.900864|3.279961|4.268826|3.952121|2.404518|3.915382|2.200223|1.905131|1.758762|1.824661|2.802124|2.294259|2.767552|2.431763|2.339852|2.575755|5.162200|0.050187|0.052552|0.063673|0.070715|0.056339|0.103782|0.107899|0.119383|0.115058|0.173794|0.300587|0.500000| |1.667232|1.760995|1.980907|2.113611|1.955138|1.743222|2.450294|0.068713|2.905412|3.617259|6.189090|0.122969|0.113505|6.809946|8.835416|17.436710|12.207058|7.036768|5.719867|6.752757|6.386794|4.462177|3.681444|3.747489|4.713746|4.112453|2.527318|4.304707|2.192550|1.914559|1.723186|1.731539|2.604442|2.173822|2.340892|2.175457|2.070958|2.156143|4.144764|0.042675|0.046470|0.056931|0.055507|0.045710|0.080409|0.076857|0.095837|0.103880|0.197703|0.215920|0.174077|0.500000| |1.613931|1.676722|1.856734|1.991859|1.887423|1.699593|2.253310|0.061707|2.694806|3.198181|5.631600|0.113836|0.111620|5.542619|8.892656|17.626214|12.519497|5.710347|4.910530|7.397517|5.865396|4.419703|3.977422|4.367737|5.792919|4.849892|2.879354|4.748723|2.509257|2.133391|1.919263|1.960010|3.018179|2.551725|2.156969|1.982641|1.917690|2.037024|3.918737|0.041580|0.044136|0.052453|0.054051|0.045097|0.074865|0.073992|0.085247|0.087279|0.139190|0.212615|0.218257|0.302450|0.500000| |1.687323|1.777339|2.026529|2.211806|2.043088|1.788970|2.656265|0.074494|3.040173|4.001125|6.161259|0.109534|0.114128|6.818824|5.733909|7.038028|12.211429|17.435129|8.836334|6.755920|6.391321|4.463660|3.681948|3.748017|4.714522|4.107530|2.540085|4.360360|2.193519|1.945284|1.742202|1.725120|2.554442|2.126748|2.691361|2.576749|2.512243|2.586580|4.806271|0.042897|0.046453|0.058082|0.058962|0.046919|0.079243|0.080110|0.116861|0.114775|0.197647|0.128676|0.132447|0.208033|0.143674|0.500000| |1.643925|1.699920|1.918835|2.129829|2.020760|1.770084|2.526988|0.068799|2.874806|3.649655|5.598472|0.097545|0.112599|5.551401|4.925185|5.711328|12.524372|17.626051|8.897330|7.401682|5.869842|4.421183|3.977579|4.367921|5.793251|4.835718|2.909726|4.871545|2.511212|2.203844|1.962409|1.944752|2.895583|2.432466|2.646642|2.533275|2.577031|2.727679|4.945607|0.041917|0.044115|0.053938|0.059518|0.047031|0.073360|0.078873|0.112015|0.098045|0.139186|0.108247|0.129138|0.143675|0.128129|0.302556|0.500000| |2.014569|2.067461|2.371860|2.736321|2.614318|2.223011|3.336274|0.086746|4.130050|5.526225|9.591584|0.147849|0.217030|8.860943|6.783340|5.734223|9.588889|8.893740|17.527607|4.818665|3.810264|3.065532|2.896167|3.273266|4.256634|3.939868|2.412207|3.953513|2.198089|1.934380|1.777907|1.814749|2.733992|2.233518|3.451173|3.078704|3.094323|3.491113|6.757628|0.050601|0.052567|0.065435|0.078777|0.058800|0.101317|0.118122|0.174499|0.131435|0.173737|0.138910|0.199114|0.132101|0.128644|0.174006|0.218193|0.500000| |2.061192|2.163003|2.538458|2.913970|2.675124|2.246571|3.740547|0.101224|4.412571|6.593681|9.250181|0.141457|0.172494|8.781870|5.491034|4.914818|7.683420|8.865694|17.573833|4.187752|3.665736|2.945953|2.677658|2.862892|3.522485|3.403418|2.145170|3.614895|1.940091|1.742033|1.599575|1.608767|2.378685|1.930513|3.976271|3.677492|3.603857|3.847442|7.317220|0.051391|0.055155|0.071626|0.079201|0.058425|0.105732|0.116341|0.230264|0.170868|0.215150|0.123051|0.138778|0.128618|0.108117|0.216836|0.213597|0.300786|0.500000| |1.410060|1.477422|1.640778|1.744177|1.634851|1.473392|1.997593|0.056197|2.240432|2.702025|4.170145|0.080342|0.080021|4.051045|4.303722|6.282190|9.524153|6.284801|4.301323|8.869305|17.717492|8.917625|5.624789|4.927431|5.640382|4.922215|3.045703|5.417313|2.495137|2.188972|1.911623|1.862974|2.757297|2.349836|1.987810|1.918098|1.877728|1.923147|3.545712|0.036423|0.039211|0.047022|0.046679|0.039027|0.060619|0.059953|0.075772|0.077482|0.116595|0.106348|0.104137|0.206073|0.155903|0.206341|0.156076|0.104013|0.106592|0.500000| |1.197777|1.242985|1.356395|1.430684|1.361971|1.247485|1.597947|0.044726|1.750808|2.019906|3.031406|0.059251|0.059899|2.703102|2.886290|3.737091|5.637854|3.736873|2.884814|5.664453|8.941372|17.722814|8.977962|5.664290|4.983928|5.657575|3.747700|7.271841|2.897413|2.571820|2.175127|2.053398|2.986154|2.584630|1.604334|1.566210|1.556999|1.590806|2.884223|0.031274|0.033194|0.038617|0.038901|0.033384|0.047528|0.047549|0.056999|0.057150|0.075837|0.074045|0.074884|0.110047|0.104268|0.110082|0.104301|0.074801|0.074169|0.215646|0.500000| |1.128413|1.156044|1.249249|1.325303|1.283315|1.183075|1.461000|0.040292|1.600535|1.808009|2.724036|0.053201|0.055416|2.348479|2.546979|3.151769|4.902640|3.152391|2.545832|4.944892|5.632082|8.923483|17.838098|8.903685|5.645031|9.511076|6.852158|15.213581|4.472744|3.808302|2.996879|2.741044|3.997394|3.654799|1.477210|1.435430|1.449160|1.501216|2.705277|0.029609|0.030785|0.035145|0.036946|0.031983|0.043295|0.044327|0.051380|0.049947|0.063427|0.064956|0.069571|0.085736|0.091657|0.085778|0.091724|0.069494|0.065052|0.124125|0.216636|0.500000| |1.441789|1.463080|1.600444|1.748999|1.711726|1.546984|1.960118|0.052549|2.250603|2.599828|4.200620|0.079433|0.089954|3.731079|4.304205|5.307403|10.018602|5.306131|4.296157|8.992310|5.664688|4.982926|5.631322|8.862457|17.707948|9.999127|4.818791|7.118469|4.021601|3.165053|2.736539|2.794735|4.465303|4.074293|1.983614|1.861329|1.892283|2.043319|3.761593|0.037388|0.038253|0.044361|0.050309|0.041886|0.059848|0.064160|0.074679|0.068427|0.091112|0.099586|0.129915|0.119684|0.154182|0.119691|0.154157|0.129465|0.099585|0.124350|0.108039|0.123820|0.500000| |1.246487|1.256128|1.353174|1.462416|1.446394|1.329872|1.603251|0.043115|1.790464|1.996744|3.089442|0.059699|0.065850|2.590933|2.883590|3.357326|5.465719|3.350262|2.876088|4.943000|4.088553|4.303497|5.749203|9.374164|7.701180|26.107190|9.451608|10.906134|7.622108|5.002621|4.024056|4.083609|6.879826|7.490191|1.629883|1.551369|1.590652|1.701931|3.082432|0.032669|0.033070|0.037416|0.042357|0.036343|0.047969|0.051140|0.057235|0.053077|0.065873|0.071344|0.085435|0.082586|0.099769|0.082458|0.099381|0.085105|0.071218|0.092580|0.098353|0.143134|0.235499|0.500000| |0.980002|0.985772|1.047119|1.113793|1.104952|1.033715|1.199145|0.032595|1.291325|1.403998|2.067705|0.040480|0.043269|1.671621|1.770674|1.978076|3.004249|2.038327|1.814635|2.565286|2.500184|2.853620|3.572837|3.768615|3.050674|6.566830|7.177807|13.393932|8.923329|17.750254|8.879170|5.664028|6.744747|5.679330|1.227883|1.196845|1.234170|1.291373|2.290995|0.025978|0.026226|0.029029|0.032068|0.028407|0.034773|0.036534|0.040245|0.038009|0.044301|0.045777|0.050586|0.052200|0.057109|0.053719|0.060469|0.051967|0.047552|0.061240|0.074261|0.111916|0.082458|0.122534|0.500000| |0.926972|0.925399|0.974828|1.035844|1.037624|0.978731|1.102048|0.029803|1.181200|1.262884|1.849199|0.036401|0.039005|1.460906|1.543204|1.672900|2.489173|1.703873|1.567844|2.034057|1.948268|2.125362|2.510325|2.701699|2.364007|4.520565|4.124200|6.957281|5.650834|8.889812|17.744943|8.896753|7.755518|5.047690|1.127901|1.097046|1.134922|1.192770|2.114497|0.024701|0.024631|0.026872|0.030150|0.027085|0.031871|0.033670|0.036113|0.033988|0.038575|0.040282|0.044587|0.043967|0.048319|0.044740|0.050022|0.045384|0.041307|0.048839|0.055664|0.074646|0.066484|0.092137|0.211736|0.500000| |0.971707|0.964066|1.011601|1.077789|1.088093|1.029711|1.139195|0.030590|1.229728|1.302399|1.923389|0.038033|0.041022|1.500709|1.603549|1.708822|2.513776|1.699870|1.595016|2.006550|1.870134|1.979393|2.302903|2.573187|2.347421|4.321690|3.607749|5.661334|5.036017|5.675862|8.892001|17.715355|12.732556|5.922001|1.160019|1.117109|1.154474|1.225948|2.189883|0.025937|0.025602|0.027730|0.031707|0.028634|0.033267|0.035383|0.037075|0.034740|0.039198|0.041976|0.047137|0.044284|0.049837|0.044075|0.049351|0.046825|0.041677|0.046994|0.051130|0.065957|0.068430|0.093781|0.123967|0.213855|0.500000| |1.166156|1.166637|1.241466|1.332927|1.331546|1.240632|1.434237|0.038456|1.592777|1.728838|2.654426|0.052270|0.056920|2.143537|2.397548|2.660033|4.003616|2.520834|2.287971|3.334789|2.921498|3.068282|3.799429|4.876632|4.358037|9.688012|6.796122|8.606752|8.856735|5.657456|5.044742|5.934510|12.802950|17.699114|1.446653|1.372922|1.404667|1.505123|2.735489|0.030800|0.030819|0.034162|0.038882|0.034158|0.043111|0.045819|0.048986|0.045872|0.054849|0.061363|0.071861|0.066432|0.080500|0.063442|0.072572|0.067858|0.057494|0.069957|0.074674|0.102827|0.133293|0.250585|0.124074|0.109155|0.130415|0.500000| |3.100797|3.414151|4.290372|4.947688|4.111776|3.324084|6.337764|0.192470|4.459749|4.320528|4.395153|0.082773|0.084826|2.857905|2.342244|2.096505|2.882711|2.440279|2.887730|1.863465|1.779665|1.590934|1.494466|1.543372|1.715967|1.955753|1.314091|2.260245|1.241401|1.161698|1.102632|1.111361|1.599006|1.244051|8.833012|17.792635|8.443498|5.854519|10.451736|0.074312|0.084818|0.122169|0.113173|0.081652|0.105786|0.109654|0.130711|0.122665|0.081676|0.062856|0.062628|0.058235|0.052460|0.068440|0.065768|0.076780|0.092812|0.051781|0.042437|0.038517|0.048496|0.040740|0.031900|0.029188|0.029567|0.036129|0.500000| |2.489061|2.535065|2.919700|3.438553|3.324512|2.788127|4.024626|0.106226|3.374627|3.410299|3.791869|0.069676|0.077138|2.561531|2.146062|1.968492|2.821894|2.402400|2.790259|1.854962|1.751072|1.585225|1.515256|1.581434|1.748153|2.030515|1.369961|2.347265|1.304076|1.227701|1.169259|1.176590|1.684070|1.304535|5.837813|8.437347|17.805679|8.842089|10.442907|0.061750|0.063395|0.078744|0.100418|0.073174|0.079682|0.091968|0.110983|0.090377|0.070230|0.056021|0.058929|0.053583|0.049624|0.065591|0.067740|0.077445|0.090033|0.049901|0.042010|0.039196|0.049897|0.042562|0.033717|0.031027|0.031349|0.037606|0.193195|0.500000| 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