Version2.1 2021-01-25T16:50:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+]1CCC(CC1)CN(CCc2ccccc2)C(=O)[C@H](c3cccnc3)N4CCOCC4 C20204556 RHF 6-31G(d) (6D,7F) C[NH+]1CCC(CC1)CN(CCc2ccccc2)C(=O)[C@H](c3cccnc3)N4CCOCC4 C01[X(C26H37N4O2)] 201 C1 554 C[NH+]1CCC(CC1)CN(C(=O)[C@H](c1cccnc1)N1CCOCC1)CCc1ccccc1 C[NH+]1CCC(CC1)CN(C(=O)[C@H](c1cccnc1)N1CCOCC1)CCc1ccccc1 C[NH+]1CCC(CC1)CN(CCc2ccccc2)C(=O)[C@@H](N3CCOCC3)c4cccnc4 InChIKey=UAWZSYPENMQHLR-VWLOTQADSA-O InChI=1S/C26H36N4O2/c1-28-13-9-23(10-14-28)21-30(15-11-22-6-3-2-4-7-22)26(31)25(24-8-5-12-27-20-24)29-16-18-32-19-17-29/h2-8,12,20,23,25H,9-11,13-19,21H2,1H3/p+1/t25-/m0/s1 InChI=1/C26H36N4O2/c1-28-13-9-23(10-14-28)21-30(15-11-22-6-3-2-4-7-22)26(31)25(24-8-5-12-27-20-24)29-16-18-32-19-17-29/h2-8,12,20,23,25H,9-11,13-19,21H2,1H3/p+1/t25-/m0/s1/fC26H37N4O2/h28H/q+1 C[NH+]1CCC(CC1)CN(CCc2ccccc2)C(=O)[C@H](c3cccnc3)N4CCOCC4 C01[X(C26H37N4O2)] 201 C01 554 C[NH+]1CCC(CC1)CN(C(=O)[C@H](c1cccnc1)N1CCOCC1)CCc1ccccc1 C[NH]1CCC(CC1)CN(C(=O)[C@H]([C]1[CH][CH][CH][N][CH]1)N1CCOCC1)CC[C]1[CH][CH][CH][CH][CH]1 C[NH]1CCC(CC1)CN(CC[C]2[CH][CH][CH][CH][CH]2)C(=O)[C@H]([C]3[CH][CH][CH][N][CH]3)N4CCOCC4 InChIKey=SUKAKVPYUDOHBL-VWLOTQADSA-N InChI=1S/C26H37N4O2/c1-28-13-9-23(10-14-28)21-30(15-11-22-6-3-2-4-7-22)26(31)25(24-8-5-12-27-20-24)29-16-18-32-19-17-29/h2-8,12,20,23,25,28H,9-11,13-19,21H2,1H3/t25-/m0/s1 InChI=1/C26H37N4O2/c1-28-13-9-23(10-14-28)21-30(15-11-22-6-3-2-4-7-22)26(31)25(24-8-5-12-27-20-24)29-16-18-32-19-17-29/h2-8,12,20,23,25,28H,9-11,13-19,21H2,1H3/t25-/m0/s1 3328.5620149298 -1373.4252974 1-A 17139.2959 118 436 554 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62359 -20.61220 -15.86643 -15.68503 -15.63821 -15.63551 -11.45453 -11.45270 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-0.39450 -0.38684 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01840 0.04519 0.05591 0.06137 0.07863 0.08253 0.08371 0.09700 0.10564 0.11197 0.12572 0.12744 0.12896 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11.02705 -0.3260 22.4956 2.8694 22.6802 |XX|YY|ZZ|XY|XZ|YZ| -180.4087 -50.7147 -190.8955 -7.0933 -5.9142 9.8223

|XX|YY|ZZ|XY|XZ|YZ| -39.7357 89.9583 -50.2225 -7.0933 -5.9142 9.8223

|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 111.2683 686.6651 -50.6264 -104.1717 20.2208 5.5888 33.1797 44.7974 72.5109 10.6755

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6.7179 6.7783 6.9374 7.0078 6.9987 7.0419 6.9849 7.0021 7.0808 7.2481 7.2677 7.1438 7.2080 7.1686 7.2177 7.3980 7.4105 7.2861 7.3274 7.3597 7.4452 7.4451 7.5351 8.6373 3.3404 2.1952 1.8853 0.2935 2.8162 0.0469 1.5340 0.6466 0.4998 1.3741 1.6009 1.2299 2.1636 2.4055 5.4457 4.7662 4.3238 0.0553 1.4722 0.1915 1.2200 2.2091 0.3097 1.2681 0.3087 2.2887 2.6849 12.6814 0.5391 5.8310 2.5608 11.3604 3.0786 0.0414 1.4048 3.0224 2.2722 0.5829 8.5879 0.4104 0.5185 4.9791 9.5449 12.3437 6.0437 7.1922 1.4909 0.1398 7.4153 2.6014 5.6334 23.7169 38.6467 3.9132 10.1105 9.2506 32.8509 2.6347 20.1695 5.9110 3.1199 11.6435 5.3072 2.1344 0.0935 0.6572 3.3545 59.1718 5.5100 28.7911 15.5963 35.0231 6.8996 0.1253 8.1445 6.6586 0.7797 0.0204 15.5877 11.3189 12.7367 23.7203 9.9481 7.8245 2.4144 0.5696 14.3529 0.5886 5.3961 5.4067 5.3018 2.0102 13.4722 5.7662 8.5089 7.9929 43.5454 4.0387 13.3604 1.2332 146.2186 46.1685 145.9673 16.7753 0.1039 19.9845 1.8994 7.8112 27.0918 7.4650 24.1718 29.2633 27.7861 12.8189 22.1691 12.6416 32.3838 30.7024 43.1217 31.5661 28.7916 36.3892 2.2446 9.9990 4.5759 2.3389 0.7241 5.5520 15.9939 2.1578 2.2942 12.6666 15.3759 18.3935 34.4725 70.9897 6.2877 34.2066 69.0970 41.9059 80.7814 5.2933 4.5638 9.1994 6.3577 2.4269 7.5860 3.3851 6.5052 40.1590 21.3373 5.5008 0.4659 22.4787 11.4585 24.9594 0.8947 11.2040 29.8592 11.0506 2.8550 31.6260 4.7082 260.2637 75.4506 62.0729 92.7728 3.1262 7.0893 22.9344 27.1298 76.5746 21.3294 23.0433 40.6893 0.6196 4.1352 9.4640 12.1804 19.2985 49.6655 5.9389 43.0991 38.8782 12.1275 22.2466 4.0572 9.3758 47.7197 3.5237 23.4444 6.9432 1.7763 2.5141 5.5100 11.5285 36.1295 22.9170 16.7995 2.1207 42.3479 0.6304 2.0844 2.0296 7.2502 0.8062 0.4338 0.9949 0.8072 1.9107 2.1550 1.3953 1.1955 4.8993 1.6113 1.0592 0.8182 0.7594 1.6600 0.7975 0.0725 1.3330 0.5474 2.6684 1.2250 0.6075 2.0628 1.3398 0.4979 0.4089 0.4213 0.7945 1.0268 0.4053 0.0452 0.2779 1.0222 0.8133 3.0503 2.3562 2.5226 2.7164 0.3992 1.2877 1.8008 0.6480 3.2747 0.8668 5.1208 2.7682 0.4232 1.5604 0.4737 0.6859 19.9921 2.4648 1.7456 3.5597 3.4591 10.2119 0.7179 4.9418 7.5833 6.6013 4.0873 2.6100 8.2774 4.3147 2.5700 1.6415 0.8571 1.1176 0.8451 0.5732 0.4224 2.7360 0.4723 25.6594 0.5007 2.6329 6.9704 14.8267 5.7249 3.0949 12.5649 11.5548 0.6601 24.2529 0.8870 2.8026 11.7364 4.1883 0.1107 3.6995 0.1749 1.5768 3.9433 2.7977 2.8325 4.9849 6.8449 6.6258 5.4134 0.6523 6.3598 4.3483 2.2252 5.9330 12.0547 9.1515 3.5459 3.6403 5.0828 7.7198 0.1661 6.4777 12.4193 10.3855 11.8410 7.5553 2.0695 6.8818 1.8009 17.3897 9.9887 0.5695 0.9661 1.3712 5.1666 1.5799 0.2936 2.2318 3.4778 0.4960 11.0957 6.4224 6.3083 1.9190 10.9452 8.1358 2.1193 7.4108 2.1775 2.0293 0.5335 2.8314 4.3516 11.8049 8.2702 27.1851 7.1888 16.2156 3.1728 6.3238 0.6603 3.0385 5.4879 6.6293 8.4412 3.1767 9.1518 8.3740 28.7145 37.9818 8.5640 46.4486 52.8201 43.8768 6.5986 153.1007 16.5030 37.8549 106.1804 13.4578 16.8398 123.4297 27.5345 46.1890 46.7352 138.3474 22.2690 106.2603 65.0535 102.7685 56.8379 94.8372 65.8921 42.2014 53.2430 61.1787 28.8082 34.5479 41.5373 68.0442 47.5720 99.8906 100.7541 51.2180 268.8994 142.3200 76.7102 26.6457 0.7469 0.7500 0.7473 0.7500 0.7488 0.7490 0.7409 0.6288 0.7500 0.7500 0.7474 0.7500 0.7325 0.7035 0.1911 0.4598 0.6038 0.2018 0.7421 0.3741 0.6269 0.4085 0.5621 0.5870 0.6758 0.3608 0.5803 0.7395 0.1497 0.6977 0.2663 0.3839 0.6602 0.5468 0.7255 0.0830 0.2829 0.0925 0.3361 0.7056 0.7499 0.6979 0.5450 0.4112 0.6488 0.4680 0.6562 0.7492 0.7425 0.7271 0.5112 0.5818 0.4282 0.0937 0.5799 0.1908 0.1590 0.7161 0.0779 0.6233 0.4590 0.1142 0.3207 0.6724 0.7267 0.1306 0.0886 0.0300 0.5226 0.1725 0.7261 0.6991 0.4645 0.6178 0.3044 0.5208 0.1231 0.1384 0.7459 0.1928 0.1003 0.6502 0.2473 0.6635 0.1047 0.7481 0.4878 0.7381 0.3499 0.1826 0.7021 0.7488 0.2616 0.7452 0.7403 0.6728 0.7405 0.7278 0.4637 0.0779 0.7496 0.5620 0.6068 0.4668 0.7093 0.6285 0.2967 0.2543 0.2909 0.6680 0.5418 0.7424 0.7386 0.7157 0.6102 0.7474 0.7002 0.7500 0.6880 0.3818 0.3758 0.6329 0.7498 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298.150 1.00000 1 2 3 4 5 6 7 8 9 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 7 1 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 8 6 1 6 6 6 6 7 6 7 6 6 8 6 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 1 1 1 1 1 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783

15080.0265 19363.4942 26421.4361 0.99993 -0.01203 0.00204 0.01201 0.99987 0.01075 -0.00217 -0.01073 0.99994 1 0.00574 0.00447 0.00328 0.11968 0.09320 0.06831 22.70 28.52 29.33 40.86 48.22 59.76 72.41 91.48 93.94 97.93 119.36 144.33 156.96 162.15 217.56 260.08 297.69 333.94 334.61 342.03 374.94 379.05 394.80 404.46 435.88 474.96 501.02 507.39 532.68 541.05 547.27 631.59 644.56 656.57 657.65 666.23 683.62 710.01 726.04 745.31 761.97 782.63 800.45 831.50 914.32 947.28 959.45 980.35 1001.39 1034.65 1068.45 1124.67 1136.87 1172.92 1179.90 1204.30 1215.41 1250.95 1267.44 1274.65 1299.87 1342.07 1350.12 1374.24 1381.27 1382.99 1409.54 1428.75 1463.23 1482.44 1485.18 1491.12 1493.53 1528.28 1542.50 1553.97 1568.02 1586.24 1599.44 1609.20 1610.20 1613.80 1620.49 1625.75 1627.23 1629.66 1633.48 1641.89 1650.25 1653.68 1662.09 1703.41 1723.20 1733.82 1737.00 1752.86 1773.18 1780.89 1800.91 1820.91 1830.13 1839.53 1848.98 1868.96 1873.80 1885.17 1897.86 1898.84 1916.60 1935.80 1941.60 1945.91 1954.79 2000.38 2026.02 2033.19 2045.64 2064.33 2069.09 2084.14 2085.51 2097.82 2111.82 2117.27 2139.81 2143.18 2166.08 2175.50 2179.70 2194.94 2200.42 2212.95 2225.43 2229.69 2244.51 2248.31 2261.98 2271.89 2278.29 2284.87 2296.41 2300.87 2316.16 2332.73 2338.11 2348.07 2355.16 2356.31 2357.73 2366.83 2367.77 2369.83 2371.24 2378.30 2381.91 2385.69 2397.98 2404.14 2405.03 2566.23 2568.39 2602.35 2606.69 2781.15 4427.55 4477.57 4552.30 4604.92 4606.36 4609.97 4620.84 4623.00 4629.49 4662.30 4683.01 4691.12 4696.81 4703.97 4712.71 4720.27 4730.35 4741.24 4742.85 4749.68 4755.41 4761.21 4787.69 4791.68 4797.22 4802.81 4807.33 4824.89 4838.59 4842.34 4843.56 4858.88 4859.17 4879.19 4888.60 4913.10 5305.14 0.656439 0.684259 0.685203 0.593385 -1372.768858 -1372.741038 -1372.740094 -1372.831912 3.079591D-04 MUNgauss RevisionA2.0 retrievium 25-Jan-2021 DUDE C[NH+]1CCC(CC1)CN(CCc2ccccc2)C(=O)[C@H](c3cccnc3)N4CCOCC4 C20204556 RHF 6-31G(d) (6D,10F) C1 437.291652 |X|Y|Z| 79.335171 92.079388 48.644593

70.830600 30 6 7 8 25 4 1

|36.858105| |12.776956|53.358707| |9.375675|25.693628|0.500000| |7.671697|17.226445|0.259020|36.858105| |4.974847|10.392520|0.198660|12.505333|36.858105| |4.374376|8.787211|0.163759|7.513311|12.421361|36.858105| |4.975503|10.397366|0.199127|6.514471|7.617264|12.433802|36.858105| |7.666264|17.214018|0.259024|7.656741|6.521615|7.532521|12.509796|36.858105| |3.269047|5.929402|0.119024|4.896014|7.543495|12.383707|7.437247|4.871425|36.858105| |2.842330|4.890881|0.097395|3.776625|4.958810|7.584954|6.261343|4.267809|13.132083|53.358707| |2.618395|4.410692|0.090864|3.219044|4.004375|5.474777|5.511441|3.859155|7.644030|17.661485|36.858105| |2.229890|3.653927|0.076436|2.718036|3.350818|4.118962|3.968158|3.016589|5.743248|10.337705|12.420771|36.858105| |2.044515|3.273668|0.069362|2.365900|2.795790|3.297155|3.382598|2.688576|4.117688|6.759793|7.569766|12.586426|36.858105| |2.028476|3.232671|0.069973|2.312295|2.707497|3.062127|3.195085|2.591615|3.687644|5.512817|5.580503|7.533834|13.712039|36.858105| |1.846307|2.874850|0.062232|2.030687|2.305866|2.557079|2.714896|2.290882|2.935420|4.337567|4.137242|5.004890|7.890525|13.741477|36.858105| |1.713724|2.633159|0.056213|1.855978|2.076512|2.324306|2.475129|2.121861|2.630628|3.997409|3.771855|4.423864|6.820735|7.936170|13.759675|36.858105| |1.722476|2.653671|0.055865|1.882126|2.114045|2.420516|2.557871|2.172961|2.772049|4.401246|4.239224|5.014799|7.894345|6.893652|7.955685|13.740979|36.858105| |1.867326|2.926881|0.061257|2.099428|2.410217|2.834512|2.946333|2.423872|3.377128|5.641280|5.831872|7.557478|13.690985|7.969731|6.887798|7.931585|13.759511|36.858105| |2.528799|4.168650|0.081299|3.263687|4.034811|5.616664|4.691403|3.586293|7.612071|18.929862|7.901359|6.005920|4.220270|3.396428|2.784244|2.661376|3.004554|3.818639|36.858105| |2.251392|3.610321|0.070963|2.748374|3.251154|4.267229|3.896584|3.107801|5.320709|11.613456|7.191432|5.936833|4.407133|3.409598|2.845818|2.809194|3.292452|4.267114|15.892742|73.516695| |2.511786|4.074435|0.077812|3.357923|4.100203|5.308339|4.102461|3.364626|6.422548|10.308611|4.960446|4.230801|3.209372|2.733608|2.307074|2.204399|2.430456|2.944227|12.352749|14.230645|36.858105| |2.852706|4.723127|0.088592|4.071875|5.118585|6.709264|4.676734|3.846976|7.465629|9.872396|4.663456|3.889540|3.001400|2.634654|2.228158|2.101737|2.272648|2.707913|8.769965|10.477705|17.477253|0.500000| |2.196371|3.507449|0.068487|2.917722|3.575186|4.196891|3.310565|2.772328|5.326784|7.856270|4.256087|4.096776|3.111738|2.675361|2.257031|2.146186|2.351041|2.834748|7.737383|10.964934|12.502254|0.249076|36.858105| |1.915518|3.003066|0.059309|2.426066|2.884258|3.330268|2.801759|2.378831|4.144786|6.461649|3.908335|4.028843|3.140323|2.656239|2.265140|2.190958|2.438387|2.947001|6.305793|10.788739|7.482322|0.155233|13.674675|36.858105| |1.738587|2.694481|0.053729|2.180639|2.566254|2.832489|2.414734|2.087359|3.456846|5.079586|3.245559|3.504589|2.843293|2.473126|2.135995|2.059760|2.258085|2.667419|4.442206|7.679192|5.014756|0.117336|7.984894|13.814485|36.858105| |1.762155|2.730429|0.054601|2.253160|2.667978|2.832940|2.370098|2.067199|3.423288|4.697795|2.973243|3.186794|2.608025|2.341445|2.024773|1.921588|2.059665|2.395265|3.866275|6.354394|4.495368|0.113678|7.016382|8.002633|13.713701|36.858105| |1.956580|3.062810|0.060935|2.598475|3.139177|3.265422|2.628578|2.288980|3.942378|5.102257|3.096209|3.204054|2.584081|2.347336|2.014789|1.888821|2.004378|2.330397|4.093915|6.354807|5.045724|0.135855|7.959003|6.867717|7.999475|14.459871|53.358707| |2.207536|3.518835|0.069071|3.026440|3.755459|4.069325|3.129237|2.672921|5.029381|6.460508|3.637233|3.582039|2.796039|2.498090|2.119064|1.985801|2.124387|2.506074|5.374905|7.776755|7.518761|0.205603|13.765736|8.032418|7.076771|8.437078|19.619078|36.858105| |2.336782|3.655960|0.069024|2.941715|3.346383|4.151813|3.489762|3.042503|4.471924|7.118896|3.946142|3.408199|2.754355|2.364010|2.054140|2.005903|2.226883|2.637397|7.749950|12.188373|13.116224|0.253133|7.711500|6.178194|4.362850|3.816699|5.537270|5.384518|53.358707| |2.535853|3.931959|0.072956|3.059580|3.340195|4.257654|3.808949|3.412823|4.207887|6.739569|3.892455|3.196129|2.666013|2.304682|2.026953|1.994097|2.213325|2.589020|6.599341|10.930577|7.844944|0.194582|5.034288|4.301233|3.306677|2.973806|4.303631|3.968704|17.799981|36.858105| |2.226426|3.323041|0.062002|2.546572|2.679309|3.213040|2.998104|2.819126|3.150144|4.880867|3.049745|2.620176|2.275834|1.993205|1.793328|1.790032|1.985413|2.266448|4.466312|8.060784|5.066383|0.128608|3.883015|3.579421|2.892586|2.599793|3.668989|3.209247|10.624027|12.531181|36.858105| |2.126669|3.127528|0.058229|2.450994|2.546762|2.927616|2.668315|2.562633|2.849632|4.207344|2.621172|2.314751|2.017859|1.795981|1.622505|1.609611|1.762624|1.990991|3.737135|6.513403|4.537512|0.119932|3.718803|3.401544|2.835013|2.607083|3.712326|3.207255|9.169826|7.925583|13.643934|73.516695| |2.004361|2.979477|0.056080|2.383758|2.540060|2.882336|2.546592|2.392820|2.912455|4.274604|2.627913|2.381220|2.048483|1.817846|1.632062|1.612261|1.765699|2.007410|3.891270|6.723486|5.072563|0.129432|4.433083|4.086430|3.385283|3.089064|4.373910|3.785122|10.617090|6.812610|8.244394|24.213694|36.858105| |2.212054|3.379640|0.063533|2.779592|3.072741|3.546965|2.970523|2.708030|3.671758|5.331609|3.093793|2.778423|2.310462|2.038007|1.796358|1.750471|1.912976|2.212332|5.039678|8.082731|7.868826|0.197450|6.523324|5.326557|4.149170|3.821573|5.656567|5.322172|17.768593|7.984854|6.809089|14.070865|12.533713|36.858105| |17.646860|12.304394|0.224060|7.087789|4.659420|3.863250|4.144719|5.584387|3.003443|3.519049|2.389121|2.083006|1.916725|1.920165|1.754443|1.621761|1.618843|1.746157|2.312595|3.669123|2.321667|0.073080|2.076034|1.816969|1.669582|1.710100|2.592062|2.121683|2.929683|2.288579|2.027274|3.489084|1.873300|2.066858|0.500000| |17.647468|12.307027|0.224236|5.587605|4.143976|3.864658|4.662084|7.081466|2.999117|3.653130|2.545362|2.169869|2.026305|2.024038|1.863631|1.736241|1.736904|1.864350|2.386592|3.840183|2.322845|0.071796|2.036674|1.802386|1.638500|1.647683|2.459771|2.024056|2.966129|2.382992|2.116460|3.558134|1.876051|2.045051|0.299224|0.500000| |17.648546|12.333148|0.181467|6.974715|4.599931|4.200459|4.598039|6.974084|3.139726|3.782401|2.518518|2.139945|1.951041|1.909958|1.740616|1.632454|1.657010|1.800813|2.535528|4.020342|2.568533|0.081408|2.221540|1.931470|1.744836|1.763483|2.666618|2.222575|3.318886|2.687304|2.381094|4.076541|2.133074|2.334829|0.299220|0.299252|0.500000| |7.195974|12.372248|0.224496|17.623203|8.769053|5.468817|4.892319|5.602136|4.060960|4.355873|2.800674|2.446941|2.162614|2.145012|1.903302|1.735466|1.743634|1.923610|2.812245|4.287615|2.913219|0.095979|2.625801|2.216308|2.032077|2.127211|3.337794|2.782356|3.511608|2.639537|2.253327|3.914022|2.161594|2.490002|0.220869|0.146063|0.175721|0.500000| |7.104249|12.436579|0.182176|17.607446|8.777561|6.751451|5.745507|7.008743|4.496490|4.944538|3.038480|2.559164|2.223578|2.140556|1.891908|1.753319|1.796897|2.005400|3.278659|4.917868|3.499088|0.119856|2.978393|2.458659|2.192891|2.256167|3.546348|3.067325|4.292643|3.338862|2.786743|4.831141|2.610547|3.037649|0.176125|0.144286|0.213402|0.301211|0.500000| |4.598979|9.298368|0.208244|8.870882|17.503587|8.792311|6.797202|5.676351|6.933329|6.294910|3.988247|3.447011|2.919262|2.911181|2.465393|2.176925|2.178813|2.468267|3.669529|5.386001|3.583069|0.117733|3.259390|2.708072|2.457274|2.567690|4.059132|3.446035|3.995734|2.901848|2.376313|4.004697|2.259830|2.690292|0.123958|0.110464|0.112853|0.215026|0.173094|0.500000| |4.146714|7.598969|0.145210|8.998079|17.565440|8.767950|5.514853|4.892836|6.857913|6.274163|3.642308|3.173110|2.624135|2.524736|2.156161|1.952087|1.995473|2.276448|3.960547|5.644006|4.299390|0.153596|3.895745|3.064685|2.755283|2.941342|4.879940|4.330316|4.713545|3.322439|2.678045|4.633190|2.659865|3.285386|0.112002|0.096749|0.110810|0.212819|0.214644|0.304097|0.500000| |4.220298|7.840423|0.137256|6.881674|8.913473|17.523595|8.948708|6.922438|8.893756|9.408129|4.829192|3.689653|2.979945|2.720050|2.312637|2.147495|2.267083|2.645838|5.941621|7.930349|6.194350|0.237409|4.508949|3.488265|2.905919|2.880724|4.536172|4.268185|6.768131|5.280064|3.804938|6.158350|3.362252|4.227908|0.102562|0.102665|0.119413|0.140213|0.202171|0.173815|0.214461|0.500000| |4.613275|9.341551|0.209894|5.692373|6.805936|8.787948|17.505520|8.882714|6.824816|7.756239|5.614947|4.179903|3.664319|3.596567|3.028928|2.689997|2.716697|3.103172|4.171097|6.339827|3.579192|0.109902|3.038691|2.631398|2.312339|2.281589|3.414895|2.914143|4.129701|3.212752|2.604567|4.159859|2.263209|2.614349|0.110811|0.124348|0.113079|0.127910|0.132337|0.198698|0.139043|0.174071|0.500000| |4.144588|7.598986|0.145500|4.887616|5.520628|8.794841|17.597104|8.992493|6.738698|9.417755|6.370387|4.255982|3.643047|3.322744|2.830494|2.633831|2.783756|3.246321|5.260052|7.976611|4.308572|0.130093|3.369498|2.903584|2.459914|2.358054|3.492120|3.059833|5.110409|4.265673|3.311455|5.056476|2.673451|3.081669|0.096727|0.111993|0.110667|0.107719|0.128783|0.139123|0.123155|0.215826|0.303617|0.500000| |7.089468|12.428432|0.182145|7.015984|5.766086|6.781269|8.772853|17.606350|4.484299|5.541274|3.565237|2.807112|2.487766|2.358574|2.098700|1.973964|2.046743|2.284905|3.612434|5.580316|3.511351|0.112642|2.826669|2.411527|2.099401|2.070462|3.123287|2.702456|4.468900|3.821274|3.160546|5.111098|2.624600|2.947521|0.144118|0.175629|0.213015|0.143947|0.212026|0.132324|0.129278|0.204094|0.173124|0.214011|0.500000| |7.201015|12.371873|0.224383|5.603429|4.891749|5.476588|8.771583|17.623705|4.033710|5.064415|3.572278|2.834317|2.613509|2.551639|2.299383|2.142462|2.177799|2.387911|3.170622|5.056507|2.919577|0.089651|2.451557|2.155746|1.908224|1.878578|2.788628|2.350571|3.668796|3.038261|2.588221|4.162320|2.173089|2.404682|0.146071|0.220960|0.176055|0.126688|0.143973|0.127401|0.107735|0.140917|0.214896|0.212838|0.301167|0.500000| |3.169121|5.736043|0.121750|4.570219|6.916105|8.856324|6.781271|4.531298|17.574923|12.614883|7.650139|6.303559|4.572772|4.281773|3.303450|2.857793|2.937635|3.561837|5.779309|8.005310|4.830746|0.147053|4.392892|3.648934|3.183986|3.193083|4.911194|4.306611|4.912227|3.426739|2.692260|4.366449|2.508615|3.059993|0.082145|0.081933|0.082317|0.109493|0.111498|0.209112|0.169699|0.174419|0.203319|0.165677|0.110895|0.108213|0.500000| |3.004201|5.258692|0.104654|4.609194|7.058305|8.863323|5.473762|4.075963|17.633697|12.369103|5.793776|5.007445|3.643845|3.288818|2.660293|2.400059|2.526120|3.043972|7.066288|8.818908|7.151813|0.243737|6.543570|4.710265|3.954861|4.067619|6.760852|6.733790|6.384924|4.116015|3.113099|5.159792|3.063577|3.999369|0.078426|0.075656|0.081225|0.110021|0.120568|0.176863|0.211048|0.213181|0.140668|0.138785|0.108067|0.094782|0.306996|0.500000| |2.489262|4.085368|0.083004|2.922561|3.462528|4.654652|4.942650|3.658394|5.714624|12.480208|17.671435|8.846124|6.929959|4.988557|3.961719|3.834170|4.534454|6.300040|7.450115|14.272717|4.669218|0.118422|3.905149|3.708511|3.055050|2.739391|3.812313|3.262927|5.425904|4.103290|3.260178|4.839410|2.680479|3.072628|0.062629|0.068047|0.067325|0.070814|0.078264|0.093983|0.087950|0.121118|0.135002|0.170227|0.096254|0.096473|0.151220|0.128137|0.500000| |2.878267|4.951725|0.104727|3.485121|4.325003|5.849253|6.588347|4.382649|7.413165|12.489849|17.585422|8.846341|6.943936|5.901277|4.377609|3.838593|4.085816|5.235252|5.814583|9.271971|4.156634|0.114840|3.599208|3.265032|2.802523|2.643724|3.799844|3.231267|4.630365|3.452364|2.762400|4.278453|2.382126|2.767760|0.072526|0.078509|0.075314|0.083902|0.088897|0.123865|0.104673|0.134481|0.206839|0.206904|0.107221|0.114408|0.231916|0.149499|0.303454|0.500000| |2.264870|3.741226|0.079216|2.839649|3.597737|4.246198|3.923798|2.991236|6.185798|9.444319|8.832943|17.530793|8.892574|7.194389|4.737969|3.972966|4.199766|5.634745|5.341965|8.719115|4.089390|0.107970|4.141676|3.969431|3.575027|3.384999|4.719506|3.818288|4.381562|2.965642|2.437936|3.914562|2.288622|2.701077|0.059458|0.060679|0.059894|0.071766|0.073152|0.105770|0.095798|0.102820|0.117230|0.110909|0.076551|0.077195|0.207629|0.155531|0.173716|0.211657|0.500000| |2.062582|3.327077|0.068553|2.512153|3.056715|3.722504|3.481935|2.732506|5.099029|9.469495|8.899891|17.592409|8.884898|5.704045|4.226335|3.972451|4.699439|7.054293|6.540025|12.506318|4.576758|0.110998|4.622750|4.847144|4.137871|3.583531|4.733382|3.864866|5.040863|3.353481|2.763341|4.333941|2.550316|2.982924|0.053681|0.055515|0.055700|0.063099|0.066941|0.085363|0.082518|0.096611|0.098146|0.104301|0.072371|0.071049|0.143973|0.131876|0.213322|0.174345|0.303151|0.500000| |2.138851|3.446990|0.075697|2.484898|2.957973|3.268510|3.361183|2.707094|3.976082|5.593623|5.373735|6.979565|8.907558|17.684331|8.931739|5.649206|4.960258|5.653558|3.350134|5.756742|2.753836|0.075141|2.717606|2.643619|2.481863|2.403064|3.332327|2.598830|3.190074|2.269474|1.949563|3.154397|1.802855|2.040737|0.056653|0.058920|0.055411|0.064426|0.062948|0.090738|0.076443|0.078884|0.107717|0.093885|0.067579|0.073359|0.134999|0.098725|0.125973|0.165225|0.217891|0.145207|0.500000| |1.803617|2.786061|0.060879|1.961430|2.205571|2.388080|2.539444|2.182502|2.688312|3.843085|3.512240|4.084833|5.627985|8.918207|17.713764|8.915528|5.651022|4.959454|2.470889|4.424330|2.097392|0.056943|2.061110|2.053958|1.958169|1.883198|2.565231|1.966985|2.551722|1.852497|1.649457|2.677586|1.514150|1.661654|0.047982|0.050751|0.046953|0.051615|0.050489|0.066220|0.057309|0.059840|0.079387|0.072224|0.055298|0.061196|0.084567|0.068282|0.092542|0.105234|0.112594|0.097479|0.215923|0.500000| |1.598866|2.424539|0.051753|1.702758|1.878083|2.073862|2.213927|1.938924|2.300580|3.440989|3.129107|3.540117|4.925106|5.643034|8.910569|17.721015|8.904531|5.642110|2.322398|4.348297|1.964512|0.052281|1.916165|1.957866|1.856389|1.741237|2.327684|1.786311|2.464774|1.808738|1.645214|2.645596|1.486492|1.598498|0.042190|0.045217|0.042347|0.044529|0.044810|0.054620|0.049175|0.053605|0.066532|0.065070|0.050307|0.054790|0.068871|0.058832|0.088867|0.088944|0.090448|0.090447|0.124215|0.214717|0.500000| |1.611355|2.452837|0.051264|1.738804|1.927791|2.198294|2.321134|2.009201|2.473477|3.922412|3.624395|4.093866|5.629867|4.962764|5.652269|8.910822|17.717540|8.929095|2.758938|5.463106|2.268839|0.058679|2.192314|2.296851|2.132843|1.933567|2.544330|1.974343|2.891072|2.124664|1.940179|3.059560|1.717778|1.834887|0.042066|0.045239|0.043342|0.044842|0.046512|0.054681|0.050791|0.058048|0.067456|0.070460|0.053156|0.056162|0.071470|0.063238|0.110444|0.096181|0.096703|0.111401|0.107649|0.124161|0.214647|0.500000| |1.837163|2.868586|0.059216|2.072860|2.371729|2.826558|2.898462|2.395942|3.364863|5.847633|5.803658|7.023140|8.908325|5.656741|4.957976|5.644896|8.928622|17.694901|4.200698|8.911678|3.181665|0.079279|3.042107|3.234261|2.870307|2.510475|3.286973|2.616003|3.943249|2.836976|2.490951|3.839573|2.180403|2.390968|0.047551|0.050742|0.049730|0.052499|0.055705|0.066250|0.062715|0.074917|0.082408|0.090115|0.063784|0.065123|0.095000|0.085076|0.188227|0.135547|0.142664|0.209513|0.124154|0.107605|0.124151|0.215834|0.500000| |1.863697|2.904846|0.057312|2.297659|2.685955|3.163216|2.754250|2.342028|3.860922|6.397153|4.025066|4.112910|3.260355|2.694509|2.316221|2.282850|2.596170|3.164784|6.583567|13.008249|6.927255|0.139830|8.896801|17.746384|8.889694|5.657970|6.739608|5.682991|8.750261|4.590886|3.887728|6.324878|4.196250|5.149735|0.048771|0.049149|0.052315|0.058036|0.064845|0.070152|0.077417|0.092438|0.071724|0.081252|0.066202|0.059588|0.094881|0.115246|0.110844|0.091722|0.107147|0.141712|0.072879|0.057767|0.056590|0.068679|0.099697|0.500000| |1.594513|2.446541|0.048984|1.951853|2.259682|2.482369|2.174074|1.897403|2.972859|4.419449|2.949018|3.245706|2.728060|2.376342|2.083825|2.035430|2.242653|2.619487|3.801381|6.896654|4.068167|0.096481|5.650797|8.896246|17.739969|8.895590|7.764105|5.059990|5.080324|2.948486|2.662485|4.626813|3.068075|3.558416|0.042590|0.042052|0.044414|0.050809|0.054434|0.060656|0.066509|0.070370|0.058299|0.061929|0.052936|0.048742|0.077556|0.091473|0.078560|0.071177|0.090633|0.107275|0.065453|0.053049|0.051239|0.059457|0.078820|0.212370|0.500000| |1.627364|2.495200|0.050182|2.046734|2.386649|2.483227|2.117029|1.870793|2.935595|3.988647|2.605383|2.825962|2.384930|2.178903|1.909684|1.814364|1.927142|2.204523|3.192924|5.350477|3.586223|0.092885|5.026354|5.666797|8.882399|17.715051|12.730078|5.920591|4.292944|2.551677|2.283390|4.098148|2.696043|3.201785|0.044176|0.042416|0.045132|0.054360|0.056713|0.064613|0.072784|0.069551|0.057182|0.058287|0.051878|0.047620|0.077881|0.094746|0.067078|0.065420|0.083777|0.087117|0.062230|0.049752|0.046019|0.050461|0.063635|0.123930|0.213802|0.500000| |2.443229|3.931162|0.076436|3.518151|4.449719|4.617784|3.390210|2.925237|5.424032|6.364319|3.524665|3.350620|2.649305|2.411817|2.052419|1.909484|2.019498|2.358292|4.976686|7.023048|6.955278|0.227636|8.906115|5.671018|5.054013|5.928695|12.751309|17.667305|6.882263|3.938616|3.157457|5.673908|3.667605|5.151673|0.065488|0.061260|0.068485|0.089703|0.099714|0.110075|0.151442|0.136179|0.086645|0.089546|0.082424|0.070207|0.126499|0.212343|0.087197|0.089681|0.100069|0.096560|0.070524|0.053371|0.047889|0.052048|0.067558|0.124219|0.109297|0.130161|0.500000| |2.905035|4.523204|0.081776|3.566119|3.801794|4.868824|4.279933|3.959910|4.419973|6.572043|3.736895|3.025176|2.536292|2.238270|1.969759|1.916334|2.092318|2.422005|5.783008|8.910885|6.998321|0.207004|4.588573|3.767310|3.001538|2.802830|4.174326|3.867809|12.253406|17.353332|8.897344|12.589083|5.901623|7.077993|0.071977|0.074656|0.087133|0.083739|0.111900|0.088850|0.104474|0.181158|0.096825|0.130104|0.128724|0.095241|0.098644|0.119390|0.106402|0.095512|0.079560|0.085658|0.062035|0.050459|0.048439|0.055457|0.072132|0.106736|0.073980|0.067361|0.112177|0.500000| |2.551006|3.998029|0.075005|3.014671|3.324367|4.395122|4.138252|3.585710|4.437905|7.710420|4.577970|3.600142|3.001650|2.544699|2.228696|2.207580|2.485240|2.946515|7.639836|13.682626|7.143013|0.171932|4.690155|4.160225|3.198413|2.838429|4.043577|3.668349|12.431852|17.631732|8.951214|10.207646|5.070858|5.727365|0.063432|0.067589|0.074032|0.071889|0.089141|0.081615|0.089260|0.145225|0.097098|0.136140|0.109322|0.090038|0.101139|0.114788|0.141223|0.110510|0.089890|0.104477|0.068689|0.055979|0.055225|0.066199|0.090914|0.127471|0.080285|0.068034|0.099872|0.299221|0.500000| |2.289541|3.363626|0.062394|2.520989|2.585749|3.082797|2.985240|2.890107|2.930619|4.482498|2.878821|2.450196|2.170079|1.919548|1.743573|1.746215|1.927635|2.172843|3.889447|7.018032|4.171369|0.110438|3.263066|3.016234|2.503129|2.283815|3.231328|2.783934|7.673517|8.856109|17.605642|16.908963|5.901730|5.058208|0.057416|0.060993|0.068663|0.061913|0.076996|0.063847|0.070653|0.100777|0.071807|0.092398|0.091458|0.074757|0.070506|0.078915|0.086343|0.073990|0.063238|0.070544|0.052075|0.044713|0.044825|0.052544|0.065838|0.090163|0.064640|0.056470|0.077279|0.217382|0.212647|0.500000| |2.013794|3.003805|0.056883|2.284234|2.429347|2.896914|2.732835|2.533511|2.938263|4.665329|3.004761|2.638791|2.312545|2.004706|1.812351|1.829679|2.053887|2.346212|4.343554|8.393262|4.696450|0.113832|3.787505|3.693894|2.982454|2.610523|3.585139|3.074718|9.536632|8.895529|17.521213|16.542920|7.336859|5.929739|0.051280|0.053654|0.059066|0.056709|0.068133|0.060947|0.067425|0.092146|0.067345|0.084297|0.077036|0.065523|0.070904|0.080676|0.090723|0.074557|0.067408|0.078739|0.053906|0.046067|0.046737|0.056275|0.072809|0.116274|0.077716|0.063902|0.081785|0.174156|0.218560|0.300378|0.500000| |1.916663|2.811416|0.052946|2.265388|2.379925|2.619159|2.316054|2.213550|2.617498|3.731880|2.324011|2.133613|1.854975|1.667923|1.506655|1.484711|1.611168|1.812514|3.268598|5.594470|4.179474|0.111423|3.859330|3.570280|3.104738|2.923945|4.166056|3.498772|7.673368|5.064507|5.904595|16.900582|17.615559|8.865887|0.050224|0.049684|0.056869|0.057843|0.069214|0.059019|0.069948|0.083979|0.057635|0.066476|0.067351|0.055998|0.063503|0.077159|0.065197|0.059347|0.057656|0.062989|0.046195|0.039101|0.038232|0.043578|0.054149|0.099019|0.078764|0.072191|0.095759|0.132278|0.110887|0.132273|0.148292|0.500000| 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