Version2.0 2020-07-31T12:03:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 09-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@@H](C)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H]3CN(CCO3)C C39696620 RHF 6-31G(d) (6D,7F) CCC[C@@H](C)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H]3CN(CCO3)C C01[X(C21H39N4O3)] 195 C1 498 CCC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1OCCN(C1)C)C CCC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1OCCN(C1)C)C CCC[C@@H](C)C(=O)N1C[C@@H](C(=O)NC[C@@H]2CN(C)CCO2)C3(CC[NH2+]CC3)C1 InChIKey=SSRSXULJAXGSAH-KURKYZTESA-O InChI=1S/C21H38N4O3/c1-4-5-16(2)20(27)25-14-18(21(15-25)6-8-22-9-7-21)19(26)23-12-17-13-24(3)10-11-28-17/h16-18,22H,4-15H2,1-3H3,(H,23,26)/p+1/t16-,17-,18+/m1/s1 InChI=1/C21H38N4O3/c1-4-5-16(2)20(27)25-14-18(21(15-25)6-8-22-9-7-21)19(26)23-12-17-13-24(3)10-11-28-17/h16-18,22H,4-15H2,1-3H3,(H,23,26)/p+1/t16-,17-,18+/m1/s1/fC21H39N4O3/h22-23H/q+1 CCC[C@@H](C)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H]3CN(CCO3)C C01[X(C21H39N4O3)] 195 C01 498 CCC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1OCCN(C1)C)C CCC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)[C]([NH]C[C@H]1OCCN(C1)C)=O)C CCC[C@@H](C)C(=O)N1C[C@@H](C(=O)NC[C@@H]2CN(C)CCO2)C3(CC[NH2]CC3)C1 InChIKey=KDSJSZHRVPZSPB-KURKYZTESA-N InChI=1S/C21H39N4O3/c1-4-5-16(2)20(27)25-14-18(21(15-25)6-8-22-9-7-21)19(26)23-12-17-13-24(3)10-11-28-17/h16-18H,4-15,22H2,1-3H3,(H,23,26)/t16-,17-,18+/m1/s1 InChI=1/C21H39N4O3/c1-4-5-16(2)20(27)25-14-18(21(15-25)6-8-22-9-7-21)19(26)23-12-17-13-24(3)10-11-28-17/h16-18H,4-15,22H2,1-3H3,(H,23,26)/t16-,17-,18+/m1/s1/f/h23H 2811.7397344698 -1260.1483247 1-A 18219.3549 108 390 498 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.64354 -20.62143 -20.59988 -15.86354 -15.67895 -15.67657 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.6306 14.1993 30.8800 32.6979 40.8500 43.3114 50.5252 66.4711 86.9455 98.1303 105.4314 126.7479 137.7865 149.2494 174.1160 176.3294 189.2968 200.7889 216.7466 229.4013 246.2044 251.4688 260.3641 266.1706 270.9162 277.8900 298.0659 316.0698 322.2707 341.0854 364.7561 367.1455 371.9414 389.6015 411.0212 440.4882 460.8911 466.8725 490.0423 494.4923 524.7142 538.7710 561.2261 568.5847 607.5700 634.3263 679.5027 691.8912 767.9997 780.5747 800.0750 837.1987 850.3001 859.4826 873.0194 882.5365 888.4862 896.7162 913.7733 924.4165 940.1852 950.8721 952.3475 980.5661 990.4367 1002.4568 1013.4366 1039.7008 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3232.8502 3233.5400 3234.3920 3246.9718 3248.5104 3252.8254 3259.8754 3261.4302 3266.0710 3271.3533 3272.9891 3275.4944 3279.8694 3280.1757 3282.3190 3289.6597 3292.5358 3295.1459 3306.5458 3312.2066 3321.8241 3330.5192 3339.3212 3347.8320 3667.5519 3731.1955 3876.7654 4.5621 3.4811 3.3978 4.4951 4.0921 4.7153 4.3367 1.9440 2.5753 4.2585 2.7849 4.1710 3.8932 3.5997 3.2791 3.1298 3.2676 3.4594 2.9806 2.5627 1.2233 3.2346 1.1580 1.1789 2.7068 2.2257 2.6900 2.0262 4.7499 3.2387 2.8636 3.1114 2.6077 2.4894 2.5285 2.3753 2.7610 5.2058 3.2439 2.7410 2.6502 2.6098 2.7328 2.3334 3.5564 1.2410 2.3664 2.4586 3.5870 3.2839 1.1649 5.7378 3.4134 3.4922 1.7273 2.6624 3.4674 3.2052 2.5029 2.2194 1.4907 1.4952 2.2788 2.5396 1.9484 1.9595 2.4517 2.1218 1.8977 2.2762 2.0989 2.2190 1.6062 1.6420 2.3019 2.2122 2.1469 2.1661 2.2065 2.7705 2.0935 2.1023 2.1568 1.9973 1.8991 1.7366 1.9932 1.6111 1.9417 1.8255 3.6843 1.7086 1.6391 2.4339 1.8949 2.0105 1.2521 1.5655 1.2381 1.1996 1.8740 1.4560 1.3084 1.4581 1.8148 1.7716 1.4561 1.3103 1.1920 1.1853 1.2550 1.4531 1.4048 1.4268 1.4930 1.3598 1.4212 1.2974 1.4355 1.4481 1.4618 1.3777 1.5061 1.5255 1.2235 1.2869 1.4810 1.2957 1.4230 1.5252 1.3876 2.2143 1.6048 1.3005 1.0968 1.0819 1.0955 1.0589 1.0522 1.0833 1.0423 1.0882 1.0519 1.0733 1.0894 1.1128 1.0525 1.0951 1.0882 1.1096 1.0914 1.0956 2.1827 1.0766 8.8215 10.9883 1.0728 1.0707 1.0599 1.0700 1.0691 1.0836 1.0749 1.0399 1.0723 1.0698 1.0426 1.0707 1.0929 1.0799 1.0700 1.0813 1.0880 1.0831 1.0887 1.1000 1.0608 1.1011 1.1000 1.1043 1.0972 1.0611 1.0766 1.0825 1.1050 1.0991 1.1038 1.1064 1.0980 1.0922 1.1121 1.1099 1.0559 1.0961 1.0787 0.0002 0.0004 0.0019 0.0028 0.0040 0.0052 0.0065 0.0051 0.0115 0.0242 0.0182 0.0395 0.0435 0.0472 0.0586 0.0573 0.0690 0.0822 0.0825 0.0795 0.0437 0.1205 0.0462 0.0492 0.1171 0.1013 0.1408 0.1193 0.2907 0.2220 0.2245 0.2471 0.2126 0.2226 0.2517 0.2715 0.3456 0.6686 0.4590 0.3949 0.4299 0.4463 0.5072 0.4444 0.7735 0.2942 0.6438 0.6935 1.2465 1.1789 0.4393 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8.9906 9.5515 1.7566 1.8702 1.2366 4.5292 0.9860 3.9155 6.9874 0.3493 2.2247 0.3157 1.5651 6.9643 3.3470 1.1242 0.2028 5.8201 3.3609 2.6420 3.1774 0.6998 0.9835 7.4231 0.9077 1.1824 4.5101 4.6234 2.9443 13.2576 19.9497 7.6945 3.6548 8.7502 0.7154 1.6854 7.9641 2.1540 8.4663 2.6556 0.7177 12.2834 2.0282 8.3275 8.5310 5.1446 17.1028 77.8384 19.0421 11.6183 7.6922 9.4773 3.1555 9.5333 9.2381 2.8862 2.4972 3.7959 0.5307 4.5346 22.4855 2.9736 14.0724 1.0942 7.9484 5.2376 14.1804 1.9851 17.6920 2.8574 14.5553 6.4871 4.1968 28.3659 1.1067 0.6187 9.1219 9.2857 7.7220 3.9097 1.2326 7.4932 8.4247 4.4579 34.8502 11.6692 2.2700 8.8111 7.1379 6.0816 3.0800 10.7190 150.6870 59.4771 7.9075 86.5462 14.2028 15.0641 68.7080 12.9653 48.9020 23.0048 43.3465 47.5238 71.6859 32.0905 1.2627 38.1571 12.7351 9.9249 27.9376 17.6741 2.9578 30.1692 33.6863 2.1283 72.9894 40.7249 0.2518 4.1200 0.7780 7.7659 53.6087 47.6236 30.3489 6.0160 9.0461 20.4392 47.9559 1.6247 15.5502 10.0978 49.8021 280.3359 0.9693 2.8886 1.7548 3.0022 3.1577 2.0421 16.2603 8.4098 7.4307 9.5747 7.4843 12.4495 13.9293 5.9042 5.3251 7.7822 14.0148 5.1008 20.0711 7.9280 568.9619 98.3560 206.2840 372.6098 26.9826 34.0585 112.3695 40.0654 16.6931 18.3731 13.8429 42.9925 18.7340 68.2584 15.6451 21.8152 16.9866 13.6749 43.7899 49.8942 14.4492 43.4990 65.2912 20.7296 14.8921 24.3613 42.1854 47.6960 76.8560 8.4558 3.1007 7.2527 38.9988 47.9058 24.0396 26.6733 11.2170 2.4049 4.5006 4.1225 72.9522 76.4361 74.6302 0.5179 0.2023 0.6032 0.0409 0.3273 0.2811 0.1990 0.0343 0.1541 0.2977 0.1492 0.5740 0.2416 0.2783 0.4923 0.2405 0.6912 1.4119 0.8395 0.1555 0.1802 0.4600 0.3201 0.0742 0.4677 0.7835 0.1739 0.2816 1.0103 0.6626 1.3282 0.6162 0.2501 0.2294 0.1549 1.9141 0.8634 2.9062 1.0450 1.5473 0.7136 0.3403 2.7536 1.5250 2.0498 0.6321 2.2106 1.3142 2.0254 1.5400 0.4724 2.0124 13.7585 0.7567 3.1987 10.8507 6.1889 4.6292 1.1677 4.5136 1.3540 4.2566 2.9362 4.8910 5.1757 5.7052 4.0818 2.0693 3.1805 0.4374 1.8338 4.7558 4.8844 1.3668 5.2036 5.3035 6.3930 8.8811 8.6893 3.9823 4.0801 2.3844 5.1079 0.9453 6.2159 4.4605 1.1069 7.1846 3.4377 7.1312 5.0658 2.7589 8.5858 10.0184 2.7165 1.1692 3.9495 10.0692 9.1524 6.0378 9.3926 4.2172 7.1134 3.0782 2.2014 3.4819 2.8012 8.4462 9.0114 10.7082 9.4005 11.5849 6.0620 7.3657 4.5040 8.0579 0.5089 1.5396 1.7695 0.8728 1.3408 4.7794 1.9629 4.2037 3.0896 2.2709 0.8205 1.7413 3.4360 4.4637 0.4722 6.9856 2.6194 7.4388 11.4853 29.2077 6.2015 7.1138 12.7084 11.0407 23.3229 1.4767 10.1183 6.2786 7.7547 1.3673 26.7367 0.7230 5.8583 12.5706 4.1644 8.7072 5.4562 5.6109 6.1881 12.2321 15.6565 39.0361 150.0237 42.9886 36.2259 25.5319 32.3185 134.5787 62.8017 87.6974 94.3478 36.7704 74.7593 43.4812 73.2993 98.7215 16.8668 49.9524 167.9096 10.7981 39.7510 65.2192 71.1543 34.0695 44.0607 93.4676 69.8742 98.9882 89.3255 94.1562 64.1718 41.3810 36.0492 51.9088 55.4971 49.9041 73.0952 55.1154 30.5938 0.7470 0.7499 0.7476 0.7222 0.7345 0.7500 0.7389 0.6422 0.7463 0.6479 0.7362 0.7101 0.7467 0.1098 0.0277 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1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 14.00307 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 1.00783 1.00783 1.00783 1.00783 8697.6184 24303.2736 30118.5853 0.99996 0.00671 -0.00554 -0.00670 0.99998 0.00124 0.00555 -0.00120 0.99998 1 0.00996 0.00356 0.00288 0.20750 0.07426 0.05992 10.98 20.43 44.43 47.05 58.77 62.32 72.69 95.64 125.10 141.19 151.69 182.36 198.24 214.74 250.51 253.70 272.36 288.89 311.85 330.06 354.23 361.81 374.61 382.96 389.79 399.82 428.85 454.75 463.68 490.75 524.80 528.24 535.14 560.55 591.37 633.76 663.12 671.73 705.06 711.46 754.95 775.17 807.48 818.07 874.16 912.65 977.65 995.48 1104.98 1123.07 1151.13 1204.54 1223.39 1236.60 1256.08 1269.77 1278.33 1290.17 1314.72 1330.03 1352.72 1368.09 1370.22 1410.82 1425.02 1442.31 1458.11 1495.90 1519.75 1533.02 1539.37 1567.05 1573.83 1578.39 1589.49 1603.42 1636.69 1638.79 1649.76 1668.29 1681.61 1695.77 1705.09 1729.42 1743.93 1757.81 1762.60 1773.68 1776.81 1787.33 1841.42 1851.32 1854.07 1861.19 1877.41 1905.66 1920.80 1933.53 1943.57 1951.24 1972.35 1987.99 1989.65 1998.03 2022.04 2042.95 2049.31 2059.78 2084.52 2087.27 2093.48 2093.77 2102.48 2105.82 2109.79 2147.00 2163.95 2172.88 2179.32 2209.14 2220.13 2223.30 2224.18 2235.69 2241.36 2250.31 2251.59 2256.58 2257.20 2270.69 2277.03 2285.04 2296.04 2327.01 2344.91 2348.48 2357.47 2358.67 2359.79 2360.56 2364.95 2366.52 2368.89 2373.70 2375.60 2380.24 2381.50 2383.56 2386.91 2390.60 2411.96 2431.57 2469.54 2629.35 2769.72 2779.95 4491.69 4507.15 4529.57 4585.75 4590.62 4591.34 4594.87 4608.03 4612.78 4614.07 4621.40 4635.40 4651.35 4652.34 4653.57 4671.67 4673.88 4680.09 4690.23 4692.47 4699.15 4706.75 4709.10 4712.71 4719.00 4719.44 4722.52 4733.09 4737.22 4740.98 4757.38 4765.53 4779.36 4791.87 4804.54 4816.78 5276.79 5368.36 5577.80 0.653950 0.681779 0.682723 0.591436 -1259.494375 -1259.466546 -1259.465602 -1259.556889 3.061781D-04 MUNgauss RevisionA2.0 retrievium 31-Jul-2020 DUDE CCC[C@@H](C)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H]3CN(CCO3)C C39696620 RHF 6-31G(d) (6D,10F) C1 395.302216 |X|Y|Z| 113.904251 65.246844 31.428920 61.585192 19 6 7 8 14 4 1 |36.858105| |12.461428|36.858105| |7.504409|12.444989|36.858105| |4.850580|7.394355|12.386527|36.858105| |4.577928|6.897912|8.894898|17.555007|0.500000| |4.159398|6.028686|7.416879|12.379987|0.246637|36.858105| |3.788156|4.896228|7.625204|12.519052|0.246395|7.711539|36.858105| |3.620843|4.376914|6.682348|7.993418|0.163782|6.184268|15.845114|73.516695| |3.120737|3.874914|5.226197|7.671432|0.205773|5.698763|13.952548|15.235360|53.358707| |2.911546|3.633353|4.445477|6.379328|0.209325|5.115134|7.530157|9.416358|17.832036|36.858105| |2.371697|2.812171|3.315862|4.260698|0.129802|3.729942|5.132774|7.441439|10.927727|12.292462|36.858105| |2.259391|2.638576|3.016427|3.712954|0.116197|3.244539|4.204316|6.236408|8.030909|8.753772|17.568078|0.500000| |2.315381|2.673116|3.244819|3.968184|0.113206|3.401687|5.245208|8.232781|11.064099|7.802680|12.262618|0.241993|36.858105| |2.604275|3.058402|3.931346|4.989414|0.131719|4.202445|7.852623|12.646248|17.894797|7.878639|7.922796|0.158760|12.393319|36.858105| |2.357263|2.654280|3.188388|3.659024|0.106373|3.013884|4.595096|7.362281|8.547545|6.146048|7.581840|0.205258|12.314036|7.514164|36.858105| |2.198731|2.398359|2.872285|3.129161|0.087468|2.629646|3.920659|6.826558|6.503938|4.289324|4.881106|0.130493|7.415656|6.034439|12.499682|36.858105| |1.897872|2.061378|2.417011|2.649659|0.073620|2.330348|3.254034|5.760804|5.320625|3.612822|4.362116|0.116763|6.446181|5.112052|7.678948|12.645071|53.358707| |1.811513|1.939718|2.260882|2.425561|0.066692|2.150566|2.941760|5.339968|4.609745|3.090134|3.567273|0.095635|4.910196|4.292523|5.673153|9.171091|25.685445|0.500000| |1.791768|1.942551|2.237109|2.451814|0.069232|2.173226|2.922548|5.072606|4.778552|3.414195|4.230693|0.119028|5.759978|4.350267|7.003654|9.196711|25.678703|0.328364|0.500000| |1.871943|2.063695|2.434025|2.746992|0.075355|2.483108|3.446318|6.136744|5.751692|3.840204|4.829729|0.121120|7.483754|6.040620|6.510291|7.580370|17.191036|0.254321|0.255665|36.858105| |1.963493|2.215262|2.610043|3.073107|0.086191|2.787508|3.856202|6.479365|6.971434|4.979477|7.344555|0.173445|12.386842|7.417837|7.616549|6.478091|10.450782|0.157533|0.195510|12.514504|36.858105| |2.130740|2.518257|2.891208|3.700950|0.109486|3.557969|4.271105|6.464363|7.955459|7.596569|12.463631|0.246963|7.372195|6.024572|4.915319|3.725778|4.942670|0.085397|0.098916|4.292165|6.455094|36.858105| |2.072775|2.438925|2.827714|3.606973|0.101705|3.612561|4.283681|6.751190|7.603286|6.104043|7.971386|0.164104|6.539811|6.222431|4.316835|3.514006|4.800203|0.084509|0.093618|4.409025|6.366224|15.797382|73.516695| |1.976162|2.316151|2.562910|3.188048|0.096528|3.125530|3.441928|5.271466|5.928106|5.751809|7.871590|0.212781|5.139888|4.277310|3.991686|3.121247|4.180984|0.073673|0.086381|3.471539|4.803176|14.226996|15.092915|53.358707| |1.797590|2.087981|2.265170|2.761822|0.081906|2.833165|2.908649|4.581143|4.702890|4.195197|5.011143|0.134370|3.817785|3.416562|3.088520|2.561642|3.503760|0.063377|0.072286|2.923029|3.783925|7.760568|12.049752|17.852295|36.858105| |1.621477|1.850779|1.971917|2.328295|0.069374|2.355963|2.416205|3.859854|3.823894|3.356930|3.965548|0.114305|3.175500|2.792817|2.726768|2.305841|3.186192|0.058196|0.067151|2.583708|3.221402|5.199510|8.093753|10.689119|12.541867|36.858105| |1.550781|1.753505|1.880889|2.197174|0.065017|2.189526|2.319903|3.745947|3.698291|3.190300|3.918858|0.114859|3.247141|2.779319|2.807320|2.394514|3.380483|0.061573|0.072294|2.748566|3.432597|5.006117|7.837943|9.593329|8.885645|17.497893|0.500000| |1.486857|1.682762|1.770181|2.057806|0.060514|2.127045|2.107564|3.420813|3.230000|2.732052|3.068266|0.086493|2.579802|2.356687|2.253060|1.962792|2.723485|0.050631|0.057023|2.202304|2.636584|3.854089|6.469599|6.838130|7.529646|12.511499|0.247709|36.858105| |1.373504|1.536113|1.600424|1.826445|0.053828|1.865805|1.859179|3.037098|2.823150|2.369646|2.641434|0.076233|2.269323|2.061125|2.044362|1.802291|2.505286|0.046917|0.052977|1.986102|2.325227|3.130404|5.203565|5.349428|5.027823|7.847786|0.197049|13.151185|53.358707| |1.414591|1.582420|1.631678|1.854910|0.055413|1.878356|1.860580|3.012872|2.819432|2.406253|2.638750|0.077882|2.233505|2.020698|2.051885|1.792890|2.452992|0.045874|0.052022|1.908789|2.231689|3.019295|4.874213|5.205052|4.547168|6.766433|0.164592|7.989155|17.878242|36.858105| |1.529781|1.720845|1.787305|2.048333|0.062038|2.033628|2.066003|3.305321|3.194541|2.805498|3.153368|0.096478|2.592406|2.280503|2.393088|2.045186|2.778542|0.051339|0.059436|2.145420|2.559854|3.561667|5.486204|6.444006|5.223349|8.105313|0.201835|6.776227|10.700024|12.553363|36.858105| |1.683625|1.924746|2.023006|2.377173|0.072457|2.370566|2.410845|3.800659|3.801393|3.444792|3.942563|0.119585|3.075633|2.690030|2.740299|2.284733|3.082422|0.056279|0.065298|2.422794|2.988480|4.722191|6.994323|9.614333|8.116866|13.542497|0.259506|7.912005|9.258532|7.911308|13.531631|73.516695| |1.269411|1.409299|1.458719|1.646395|0.048062|1.698510|1.667554|2.753407|2.488839|2.044664|2.231101|0.063493|1.963575|1.819351|1.781449|1.597624|2.225041|0.042122|0.046791|1.761290|2.017068|2.600901|4.449241|4.224946|3.860714|5.095997|0.132151|7.917045|17.913388|7.904634|5.100050|8.102434|36.858105| |17.560247|8.781295|5.468862|4.022721|0.109295|3.646395|3.193898|5.399187|3.706396|2.611361|2.162950|0.057840|2.088201|2.304581|2.122679|1.978864|2.354306|0.045936|0.045740|1.707125|1.794239|1.969266|3.397266|2.523949|1.704320|1.551772|0.041121|1.433615|1.812733|1.377902|1.482341|2.879065|1.236330|0.500000| |17.537729|8.767250|6.791655|4.515561|0.121665|3.689055|3.711518|6.318208|4.254061|2.916503|2.397020|0.064052|2.368384|2.631691|2.474528|2.324849|2.694161|0.052587|0.051932|1.920744|1.999694|2.115356|3.627995|2.667155|1.765809|1.602486|0.042850|1.460924|1.845512|1.399493|1.523014|2.967946|1.249237|0.301736|0.500000| |17.545978|8.777063|6.815022|4.473596|0.111880|3.994505|3.660677|6.516562|4.044845|2.703345|2.237719|0.058711|2.222184|2.535831|2.244029|2.130805|2.524740|0.049558|0.048356|1.839589|1.907298|2.031790|3.564998|2.548712|1.715767|1.544880|0.041170|1.424432|1.788923|1.343772|1.444400|2.822693|1.220409|0.301806|0.301681|0.500000| |8.860343|17.498502|8.833270|6.863389|0.210235|5.499108|4.588811|6.982634|5.259374|3.840713|2.939085|0.077977|2.718140|3.014013|2.726043|2.412476|2.813465|0.053642|0.054655|2.056120|2.236061|2.606936|4.393328|3.313675|2.178394|1.942659|0.050912|1.755638|2.188362|1.673871|1.834381|3.648070|1.466977|0.212689|0.210910|0.172977|0.500000| |8.891477|17.549129|8.816286|6.674747|0.168537|6.649208|4.472739|7.218601|4.863090|3.381643|2.654407|0.068785|2.498382|2.864475|2.422876|2.194368|2.618246|0.050366|0.050468|1.954018|2.105261|2.450608|4.273420|3.090089|2.083729|1.840813|0.048114|1.691876|2.094398|1.580235|1.700871|3.385729|1.420047|0.214086|0.173254|0.211101|0.303867|0.500000| |6.806834|8.821880|17.575790|8.863946|0.174539|6.844578|6.972622|12.884302|6.399684|3.852560|3.011284|0.075500|3.036042|3.766754|2.947105|2.742792|3.191379|0.061668|0.059782|2.383423|2.505870|2.688961|4.796225|3.227833|2.127517|1.852687|0.049299|1.679475|2.066324|1.534213|1.664700|3.334535|1.393702|0.139753|0.166772|0.202085|0.173269|0.212114|0.500000| |7.014564|8.892935|17.502652|8.867924|0.212183|5.461763|7.163925|11.435638|7.172128|4.448950|3.377282|0.086595|3.397397|4.045550|3.499624|3.181271|3.536188|0.067579|0.066565|2.549839|2.698477|2.846119|4.880784|3.426861|2.195215|1.930997|0.051673|1.721164|2.133328|1.602171|1.768678|3.536995|1.423885|0.142157|0.208517|0.173471|0.210107|0.173798|0.304696|0.500000| |4.035552|5.442132|6.815705|8.789391|0.173698|17.578754|6.957958|11.640803|6.801502|4.241608|3.296199|0.079749|3.147375|3.975361|2.795780|2.518994|3.071636|0.058549|0.057998|2.419202|2.649916|3.186473|5.932624|3.793855|2.570479|2.156013|0.056189|1.971946|2.363929|1.732060|1.855869|3.803009|1.596690|0.097675|0.098556|0.113582|0.129788|0.170211|0.205770|0.141018|0.500000| |3.391259|4.584245|5.423980|8.720870|0.210114|17.539394|7.092003|9.973993|8.201336|5.699022|4.181299|0.098615|3.668603|4.498056|3.110592|2.667012|3.272866|0.061076|0.062547|2.619154|3.021441|4.194481|7.709458|4.956020|3.318045|2.670084|0.068100|2.396352|2.807080|2.060124|2.230666|4.715855|1.865423|0.084811|0.086021|0.090485|0.123097|0.136657|0.140539|0.122779|0.301732|0.500000| |4.414799|6.614935|6.672033|8.758469|0.214464|17.597798|5.558626|8.305096|6.101526|4.336480|3.268173|0.081618|2.938503|3.448298|2.670579|2.342816|2.844120|0.053857|0.054766|2.199405|2.455728|3.150930|5.587118|3.920604|2.661032|2.256345|0.057839|2.063053|2.483886|1.855246|1.994684|4.093888|1.671213|0.111245|0.105087|0.115095|0.171843|0.228755|0.166366|0.137324|0.300780|0.302468|0.500000| |3.111773|3.876514|4.619136|6.201148|0.225935|4.671814|6.506371|8.388283|12.315051|17.570194|8.739190|0.227130|6.336572|6.033132|6.069174|4.217185|4.674252|0.082348|0.091600|3.454281|4.263941|5.677377|8.196128|6.611640|3.656695|3.088322|0.081883|2.536243|3.066349|2.335225|2.747068|5.850792|1.948457|0.077593|0.088276|0.078386|0.118474|0.097135|0.106903|0.133784|0.107311|0.135270|0.115496|0.500000| |2.899845|3.703205|4.355721|6.525088|0.219577|5.880460|6.690637|8.547676|12.255628|17.597293|8.709495|0.190280|5.732025|6.032358|4.586456|3.466679|4.152724|0.074073|0.080956|3.296735|4.193978|7.570865|11.118522|8.381856|4.663410|3.599932|0.091694|2.951527|3.421400|2.556957|2.950299|6.586760|2.168890|0.073203|0.078750|0.074668|0.109548|0.099057|0.105087|0.114643|0.128776|0.198667|0.139963|0.302836|0.500000| |2.417891|2.832558|3.560387|4.521420|0.116811|4.161966|6.672647|11.505249|12.356559|6.406471|6.713336|0.136589|8.779059|17.603470|5.507961|4.782377|6.120744|0.108100|0.108050|5.782279|7.105102|6.238493|13.310958|5.906757|3.601412|2.873938|0.079195|2.453485|2.878921|2.039572|2.268026|4.781638|1.877201|0.060005|0.066789|0.066166|0.076799|0.075634|0.097394|0.098114|0.112403|0.128601|0.094385|0.135568|0.154564|0.500000| |2.646333|3.027554|3.953816|4.655405|0.119058|3.850280|7.325928|13.906518|12.505998|5.823399|5.669578|0.126856|8.608343|17.638852|7.087559|6.812023|7.456038|0.132514|0.123116|6.106044|6.235977|4.512070|8.308552|4.707187|2.867570|2.420922|0.067391|2.083945|2.520283|1.819036|2.033968|4.170879|1.653399|0.064440|0.075170|0.072547|0.081384|0.077869|0.108281|0.116550|0.104817|0.109194|0.088731|0.138773|0.129930|0.302512|0.500000| |2.682398|3.043943|3.715937|4.226087|0.125410|3.299121|5.248553|8.098882|9.569209|6.820355|6.899476|0.188134|8.733488|7.039173|17.586760|9.017804|7.629413|0.127213|0.143258|4.887042|5.514265|4.473162|6.971952|5.065419|2.912260|2.572582|0.072128|2.147419|2.660321|1.986040|2.309760|4.690936|1.711589|0.066346|0.079270|0.070006|0.087641|0.075464|0.092867|0.117197|0.083812|0.092341|0.081237|0.208027|0.136738|0.140758|0.190169|0.500000| |2.172394|2.426464|2.815485|3.196230|0.095066|2.699422|3.775916|6.032831|6.718415|5.363217|7.042690|0.226848|8.772226|5.493930|17.510276|8.914032|9.370268|0.143869|0.204169|5.680644|6.815980|4.756365|7.144225|5.591031|3.149791|2.866582|0.083271|2.336895|2.922370|2.173855|2.582357|5.203740|1.852892|0.055122|0.063375|0.057098|0.070247|0.061899|0.071965|0.085045|0.069183|0.077848|0.067896|0.153474|0.116580|0.123007|0.141158|0.303678|0.500000| |2.330369|2.531339|3.105939|3.333268|0.090302|2.778039|4.330420|7.932534|6.867461|4.172572|4.437145|0.113515|6.612497|6.551977|8.734682|17.648353|12.435724|0.225472|0.181221|6.907728|5.675028|3.493660|6.064576|3.942232|2.421439|2.155816|0.061490|1.860753|2.315106|1.685883|1.898300|3.775588|1.521277|0.057606|0.068435|0.063486|0.069431|0.064164|0.083972|0.096236|0.075171|0.077249|0.067931|0.112136|0.094734|0.143122|0.239566|0.214388|0.173226|0.500000| |2.142425|2.293767|2.691467|2.844699|0.080327|2.390974|3.409249|5.934510|5.407610|3.698281|4.070267|0.114047|5.427231|4.595310|8.768581|17.625157|12.364003|0.222269|0.225020|5.572915|4.888178|3.184766|5.290940|3.776457|2.311367|2.125661|0.061358|1.824615|2.311769|1.704125|1.942959|3.795856|1.511726|0.053853|0.063728|0.057468|0.064479|0.057949|0.071126|0.083886|0.063605|0.066579|0.060158|0.105298|0.084948|0.105205|0.141523|0.212470|0.217049|0.301595|0.500000| |1.951006|2.147772|2.573461|2.888125|0.077287|2.614577|3.726942|6.924912|6.027834|3.771142|4.425121|0.107594|6.725472|6.631128|5.750668|6.939706|12.416860|0.224001|0.181103|17.627459|8.749638|3.978330|7.563714|4.338636|2.734559|2.387967|0.069313|2.069269|2.530165|1.786066|1.982962|3.983645|1.665712|0.049079|0.055436|0.053785|0.058618|0.056562|0.071189|0.074692|0.071981|0.076042|0.063588|0.093341|0.090612|0.182672|0.204745|0.128963|0.132288|0.207649|0.142750|0.500000| |1.693818|1.851725|2.145470|2.395231|0.065804|2.212187|2.912037|5.211115|4.701290|3.229246|4.006831|0.103519|5.453986|4.597307|4.889930|5.574560|12.362978|0.222925|0.224528|17.627051|8.767777|3.791958|7.020957|4.350433|2.782418|2.510669|0.075325|2.168389|2.681888|1.873606|2.085430|4.131043|1.758129|0.043265|0.048124|0.046379|0.051266|0.049092|0.058675|0.061932|0.060212|0.064942|0.055083|0.081582|0.079515|0.128475|0.127862|0.107706|0.127660|0.142738|0.126487|0.301190|0.500000| |1.837422|2.060172|2.372674|2.760796|0.079061|2.520791|3.308135|5.488093|5.819007|4.487399|6.813147|0.183549|8.789353|5.447871|6.834724|5.699390|9.431992|0.144555|0.207026|8.902394|17.491452|6.191003|10.007586|6.884306|3.944702|3.495072|0.107121|2.800138|3.401344|2.401288|2.803776|5.773910|2.138205|0.047079|0.052117|0.049284|0.058436|0.054443|0.062760|0.068233|0.066032|0.075782|0.062902|0.111171|0.107331|0.144002|0.131163|0.139457|0.200369|0.131740|0.128718|0.173075|0.215209|0.500000| |1.904821|2.160442|2.533878|3.020237|0.083641|2.841392|3.764606|6.383988|6.628734|4.705149|6.624308|0.150319|8.796884|6.896213|5.520375|4.860778|7.619693|0.126958|0.143922|8.992994|17.645921|7.096389|14.495078|6.939047|4.175932|3.429811|0.101055|2.829735|3.324106|2.296749|2.591790|5.445743|2.125358|0.048516|0.053256|0.051687|0.060206|0.057853|0.068283|0.071251|0.075652|0.087372|0.069252|0.108513|0.116260|0.216892|0.156607|0.123092|0.139546|0.127067|0.107524|0.212840|0.212641|0.303704|0.500000| |1.999390|2.337980|2.551970|3.134261|0.097474|3.004864|3.298778|5.009379|5.629392|5.700432|7.493028|0.239375|4.813983|3.930302|4.018177|3.091284|4.059725|0.071590|0.085117|3.233772|4.342510|9.377954|10.843750|26.044805|9.141393|7.445419|0.186264|4.752047|5.352594|4.055128|5.392260|14.746363|3.065331|0.052348|0.055414|0.052127|0.069349|0.063142|0.064741|0.070303|0.073706|0.095022|0.078219|0.143758|0.166265|0.106218|0.090229|0.106144|0.119088|0.078630|0.077802|0.081983|0.082532|0.130456|0.120929|0.500000| |1.866613|2.189914|2.347891|2.888124|0.085918|3.056565|2.951417|4.614398|4.640882|4.136037|4.511740|0.119021|3.456201|3.243771|2.840563|2.373075|3.188428|0.058255|0.065074|2.628737|3.304620|6.479175|10.589388|12.405954|17.558683|8.879836|0.174034|6.988038|6.412527|4.405243|4.806169|12.756816|3.779762|0.049372|0.050442|0.049395|0.063613|0.061469|0.061122|0.062257|0.076251|0.101287|0.080833|0.100594|0.135065|0.095156|0.076134|0.076290|0.079248|0.063220|0.059832|0.069748|0.069078|0.093002|0.100419|0.205050|0.500000| |1.726454|1.991758|2.181247|2.642622|0.076479|2.736413|2.845949|4.579206|4.568913|3.858677|4.648745|0.119855|3.791716|3.454881|3.002812|2.550796|3.568926|0.064861|0.073089|3.067911|3.955356|7.326270|13.513237|12.543846|17.641752|8.848422|0.215621|6.732983|6.227559|3.918690|4.255582|10.283341|3.697656|0.045330|0.047057|0.046210|0.056939|0.055375|0.057732|0.058662|0.070396|0.089064|0.070572|0.092075|0.116368|0.104862|0.080842|0.077474|0.083790|0.067534|0.063382|0.080133|0.082333|0.112778|0.127536|0.181199|0.301768|0.500000| |1.532981|1.744792|1.820332|2.124112|0.062537|2.234373|2.139978|3.459343|3.235896|2.738955|2.967285|0.082554|2.477405|2.315708|2.164251|1.884136|2.580319|0.048128|0.053521|2.079899|2.474216|3.702304|6.280408|6.428763|7.025040|8.865254|0.174142|17.403192|12.258618|7.076164|5.862530|12.470713|7.008126|0.041202|0.041562|0.040750|0.050633|0.049143|0.047928|0.048711|0.057305|0.070392|0.060800|0.070645|0.084142|0.067104|0.056891|0.058081|0.061657|0.050064|0.048681|0.054973|0.056387|0.071564|0.073735|0.124481|0.215758|0.170385|0.500000| |1.432897|1.615087|1.710281|1.982121|0.057503|2.059332|2.055379|3.376352|3.138811|2.592114|2.930171|0.081016|2.533121|2.333812|2.190946|1.935439|2.723160|0.050852|0.056816|2.234199|2.653361|3.721368|6.532008|6.248218|6.777215|8.887305|0.217594|17.559740|12.506172|5.736253|5.040843|10.157293|7.287556|0.038282|0.039080|0.038381|0.046385|0.045184|0.045475|0.046165|0.053669|0.064481|0.055077|0.066131|0.077087|0.068529|0.057548|0.057520|0.062603|0.051212|0.049754|0.058486|0.061821|0.077826|0.080623|0.115719|0.170117|0.197411|0.300627|0.500000| |1.449324|1.627043|1.662113|1.890835|0.056636|1.936054|1.869027|3.016745|2.801599|2.393359|2.553111|0.074541|2.149639|1.978150|1.973860|1.723681|2.333775|0.043755|0.049083|1.814079|2.112988|2.910055|4.728101|4.954791|4.344361|5.853864|0.134931|7.074289|12.252467|17.414292|8.881173|12.465206|7.000571|0.039388|0.039621|0.038169|0.047949|0.045423|0.043338|0.045025|0.049406|0.059059|0.053661|0.064692|0.071806|0.055506|0.049490|0.053676|0.057505|0.045362|0.045516|0.047608|0.049140|0.062187|0.060502|0.106985|0.124665|0.103216|0.208489|0.143572|0.500000| |1.325659|1.469150|1.508226|1.693116|0.050417|1.705354|1.697502|2.768222|2.553764|2.152411|2.349434|0.069629|2.029788|1.838479|1.895281|1.675836|2.299465|0.043277|0.048974|1.771874|2.038800|2.621072|4.265855|4.365069|3.651982|5.037215|0.132690|5.735982|12.489353|17.567194|8.915045|10.162438|7.264238|0.035983|0.036540|0.035018|0.043131|0.040674|0.039489|0.041316|0.043933|0.051401|0.046912|0.058601|0.062761|0.051327|0.046456|0.051004|0.055993|0.043743|0.044611|0.046045|0.048588|0.061085|0.057833|0.094615|0.097936|0.090415|0.143568|0.128061|0.300748|0.500000| |1.564073|1.756423|1.804905|2.053504|0.062847|2.023214|2.041844|3.251804|3.133632|2.770235|3.031909|0.094060|2.490105|2.201519|2.349180|2.003114|2.681399|0.049661|0.057327|2.037023|2.406340|3.283740|5.027286|5.747906|4.378315|5.855378|0.147416|5.054050|7.697825|8.830513|17.615161|16.885756|4.184277|0.042295|0.043352|0.040770|0.052494|0.048081|0.046386|0.049746|0.051009|0.061032|0.055640|0.077150|0.080832|0.060065|0.054878|0.063927|0.070678|0.051647|0.053355|0.052513|0.054605|0.072696|0.066707|0.138079|0.116663|0.100083|0.131857|0.110514|0.217081|0.209841|0.500000| |1.468669|1.639690|1.715019|1.951561|0.058732|1.916662|1.996924|3.219593|3.106097|2.694962|3.111751|0.096439|2.616165|2.260476|2.438969|2.099449|2.892292|0.053402|0.062674|2.223597|2.643069|3.464735|5.349760|6.109973|4.751340|7.198272|0.216099|5.877278|9.566159|8.880859|17.520580|16.537185|4.729129|0.039417|0.040846|0.038636|0.048331|0.044763|0.044538|0.047522|0.048942|0.058028|0.051829|0.073369|0.076846|0.062267|0.056308|0.064494|0.074189|0.053628|0.055599|0.056419|0.060622|0.082189|0.073749|0.140403|0.115917|0.112527|0.134228|0.131656|0.173912|0.217704|0.299928|0.500000| |1.236427|1.370074|1.426257|1.608814|0.046571|1.664937|1.643805|2.734027|2.450849|1.987825|2.181666|0.061391|1.947563|1.812503|1.754489|1.586444|2.230429|0.042349|0.046801|1.782038|2.030149|2.565514|4.479781|4.085227|3.755984|4.739849|0.127473|7.212210|12.463152|5.698679|4.233647|7.110737|17.579654|0.033365|0.033782|0.033174|0.039365|0.038384|0.038074|0.038655|0.043796|0.050862|0.045244|0.052188|0.058317|0.052417|0.045848|0.046546|0.050425|0.042086|0.041553|0.046898|0.049803|0.059597|0.060043|0.080486|0.100760|0.104595|0.173017|0.222221|0.142356|0.146994|0.097665|0.113500|0.500000| |1.204753|1.328381|1.369586|1.531387|0.044733|1.568241|1.548668|2.565377|2.303233|1.884586|2.051501|0.058896|1.823981|1.685268|1.679087|1.515736|2.112380|0.040154|0.044624|1.654898|1.874763|2.337064|3.977514|3.744198|3.271081|4.231127|0.114190|5.705867|12.471387|7.207273|4.743838|7.111241|17.584378|0.032677|0.033035|0.032162|0.038454|0.037077|0.036350|0.037298|0.041034|0.047399|0.042976|0.050393|0.055015|0.047961|0.042862|0.044876|0.048766|0.040010|0.040124|0.043402|0.046028|0.055444|0.054309|0.076670|0.088371|0.086903|0.142509|0.147317|0.173014|0.221508|0.111980|0.126874|0.301918|0.500000| 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