Version2.2 2021-02-18T05:45:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Jan-2021 #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)NCc3cn4c(cccc4[nH+]3)C C39670643 RHF 6-31G(d) (6D,7F) CCC[C@H](C)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc3cn4c(cccc4[nH+]3)C C01[X(C24H37N5O2)] 198 C1 539 CCC[C@@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cn2c([nH+]1)cccc2C)C CCC[C@@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cn2c([nH+]1)cccc2C)C CCC[C@H](C)C(=O)N1C[C@@H](C(=O)NCc2cn3c(C)cccc3[nH+]2)C4(CC[NH2+]CC4)C1 InChIKey=WYAJOMLTZRNYKW-PXNSSMCTSA-P InChI=1S/C24H35N5O2/c1-4-6-17(2)23(31)28-15-20(24(16-28)9-11-25-12-10-24)22(30)26-13-19-14-29-18(3)7-5-8-21(29)27-19/h5,7-8,14,17,20,25H,4,6,9-13,15-16H2,1-3H3,(H,26,30)/p+2/t17-,20-/m0/s1 InChI=1/C24H35N5O2/c1-4-6-17(2)23(31)28-15-20(24(16-28)9-11-25-12-10-24)22(30)26-13-19-14-29-18(3)7-5-8-21(29)27-19/h5,7-8,14,17,20,25H,4,6,9-13,15-16H2,1-3H3,(H,26,30)/p+2/t17-,20-/m0/s1/fC24H37N5O2/h25-27H/q+2 CCC[C@H](C)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc3cn4c(cccc4[nH+]3)C C01[X(C24H37N5O2)] 198 C01 539 CCC[C@@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cn2c([nH+]1)cccc2C)C CCC[C@@H](C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)NCC1=CN2[C]([CH][CH][CH]=C2C)N1)C CCC[C@H](C)C(=O)N1C[C@@H](C(=O)NCC2=CN3[C]([CH][CH]C=C3C)N2)C4(CC[NH2]CC4)C1 InChIKey=JSTSVKHJIWLSAQ-PXNSSMCTSA-N InChI=1S/C24H37N5O2/c1-4-6-17(2)23(31)28-15-20(24(16-28)9-11-25-12-10-24)22(30)26-13-19-14-29-18(3)7-5-8-21(29)27-19/h5,7-8,14,17,20,27H,4,6,9-13,15-16,25H2,1-3H3,(H,26,30)/t17-,20-/m0/s1 InChI=1/C24H37N5O2/c1-4-6-17(2)23(31)28-15-20(24(16-28)9-11-25-12-10-24)22(30)26-13-19-14-29-18(3)7-5-8-21(29)27-19/h5,7-8,14,17,20,27H,4,6,9-13,15-16,25H2,1-3H3,(H,26,30)/t17-,20-/m0/s1/f/h26H 3170.5962985392 -1351.9549852 1-A 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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|A|A|A| 10.5520 14.5217 25.1780 31.8584 39.3126 44.1436 65.9650 71.7050 92.3770 102.8883 108.5746 123.0656 138.0276 142.5487 169.5057 179.5164 182.8404 191.3121 210.3229 213.8156 237.4115 245.0574 259.8267 266.0826 271.3635 281.9228 285.3433 298.7078 321.4881 334.7213 340.8514 360.6980 363.5243 374.1053 396.8912 438.2301 455.8044 483.1459 493.4447 516.7591 521.8541 534.6839 544.4971 572.1242 575.0928 601.2388 626.6830 648.1340 682.3031 690.3697 730.8629 747.3117 771.5779 779.7338 800.5877 822.5804 827.8842 843.4471 849.7002 859.4395 871.6086 886.8629 890.6126 893.9913 907.5113 921.2553 928.0505 941.4518 948.9628 955.5148 958.5766 999.5407 1004.5547 1008.3032 1047.3496 1058.9600 1068.4259 1076.2323 1091.6935 1094.2558 1097.0393 1102.1843 1120.0420 1123.4039 1138.4548 1140.7667 1146.6741 1147.6959 1153.5749 1160.4407 1177.5055 1180.1601 1185.2486 1213.8946 1228.7512 1234.4116 1238.4345 1259.0698 1287.9604 1295.7945 1302.3284 1319.9507 1332.7499 1342.3619 1347.9369 1359.3775 1371.5287 1372.9215 1378.8805 1385.7088 1400.4308 1415.6936 1421.6921 1429.1711 1452.0011 1453.4420 1453.8587 1458.1181 1460.9241 1462.6067 1486.5583 1505.0085 1512.7113 1528.3846 1533.9503 1537.3856 1544.5565 1546.1880 1548.0985 1560.4178 1564.6414 1565.5185 1568.7703 1573.0370 1573.6296 1579.7629 1587.0597 1598.8599 1620.4098 1621.7380 1629.6348 1632.3397 1634.6632 1638.6656 1640.5998 1643.3822 1644.2716 1644.8178 1647.5537 1655.8221 1658.4762 1680.7067 1696.0269 1700.4447 1709.1203 1760.1305 1824.1620 1828.3637 1862.0812 1920.4000 1948.2175 3164.5807 3187.6516 3195.2211 3199.6910 3208.2111 3213.0216 3216.6426 3225.9517 3229.4272 3242.3332 3245.3512 3249.8876 3255.2577 3259.6286 3270.1020 3274.1248 3278.8894 3280.9660 3281.2093 3287.0073 3290.9351 3295.8766 3313.6737 3320.0143 3323.8283 3327.0914 3335.6131 3340.5529 3351.3551 3404.9021 3420.8163 3425.5723 3504.5815 3660.7274 3721.9419 3811.2519 3873.9320 4.4091 4.2856 4.2096 4.3083 4.8551 4.7633 1.7533 3.9074 3.1906 3.4559 3.2506 5.5240 4.1252 5.3362 3.9851 3.1501 3.3139 3.2340 1.7153 1.7238 2.8072 1.1346 3.4580 1.1948 2.4677 3.0420 2.3343 3.2448 3.7860 3.0933 3.5045 2.8105 3.1406 2.3765 3.0997 2.5459 3.3830 3.0261 2.5177 2.3027 3.2571 1.5889 3.4416 4.1304 2.5532 3.9178 3.6729 3.9741 5.3228 2.5721 2.3476 1.4337 3.3440 3.1516 1.1493 5.9230 2.6288 3.5408 3.1322 2.8401 1.5866 3.3020 1.8039 2.2864 2.6727 2.2494 2.7277 1.5132 3.1595 1.7270 2.0765 2.0548 1.3029 2.5411 2.2128 2.0949 2.1200 2.0373 2.0779 2.4550 1.3639 2.2813 2.3291 2.4307 2.1116 2.4580 1.3692 2.6355 2.1327 2.7473 1.5388 2.0158 2.1191 1.6922 2.0791 2.0515 1.4438 1.7560 1.4997 1.3513 1.8560 1.9822 1.3927 1.4347 1.3082 3.0168 1.6131 1.8078 1.5251 1.5733 1.8104 1.6730 1.7338 1.8331 1.2135 1.4320 1.3802 1.3170 1.3998 1.5765 1.3128 1.4418 1.4398 2.3285 2.7969 1.5673 1.4491 1.4439 1.4733 1.3826 1.4042 1.4013 1.2921 1.4245 1.3053 1.8025 1.3769 1.8900 1.0425 1.0914 1.0977 1.0755 1.1619 1.0616 1.0833 1.0448 1.0882 1.0542 1.0611 1.0907 1.0872 1.0987 1.1081 1.9328 3.7579 5.8047 5.6594 1.0762 6.1912 7.9457 11.2551 1.0726 1.0704 1.0749 1.0426 1.0728 1.0783 1.0398 1.0449 1.0695 1.0874 1.0811 1.0960 1.0660 1.0655 1.1001 1.1047 1.1036 1.1027 1.0614 1.0698 1.0979 1.0891 1.1010 1.1045 1.1036 1.0915 1.1007 1.1123 1.1107 1.0918 1.0956 1.0985 1.1020 1.0561 1.0963 1.0843 1.0798 0.0003 0.0005 0.0016 0.0026 0.0044 0.0055 0.0045 0.0118 0.0160 0.0216 0.0226 0.0493 0.0463 0.0639 0.0675 0.0598 0.0653 0.0697 0.0447 0.0464 0.0932 0.0401 0.1375 0.0498 0.1071 0.1425 0.1120 0.1706 0.2305 0.2042 0.2399 0.2154 0.2445 0.1960 0.2877 0.2881 0.4141 0.4162 0.3612 0.3623 0.5226 0.2676 0.6012 0.7966 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7.1186 7.2153 7.3135 7.3503 7.4574 7.5535 7.5950 7.9747 8.3386 8.9477 9.2794 9.5474 1.3911 0.6220 1.3097 2.9952 2.0753 1.2657 1.1905 8.6993 4.4362 4.9567 1.3826 10.0381 0.9671 0.8959 2.0537 3.0523 0.2560 2.1143 0.0135 1.6100 11.2275 0.6272 5.2682 0.8607 1.7051 0.8198 0.6094 6.4280 6.8990 14.7160 11.5790 2.9926 19.2833 6.3633 3.0553 2.2388 5.4351 8.5336 23.0836 17.4389 17.1163 58.3175 0.9353 1.5187 3.8325 4.6445 1.2180 2.0950 4.7327 8.5772 4.4475 100.5019 9.0311 10.1720 2.5215 10.3454 9.6176 5.4870 1.6028 35.3694 5.6434 8.3850 88.5290 9.6846 17.0254 2.5196 3.6170 11.5654 10.4441 1.0519 3.4622 1.2388 0.1783 8.9982 3.9223 12.5181 4.8737 1.4466 3.8654 14.2143 2.2419 10.3145 7.5858 4.9599 11.8053 7.7351 0.5650 4.6943 2.2215 0.2779 3.8439 4.0944 2.1796 7.6612 14.2814 1.7944 0.5689 21.9040 9.6091 38.3304 6.1645 22.3191 89.7177 35.8327 30.2350 42.9292 45.4414 31.1227 39.9006 56.4794 17.6596 51.1520 10.7703 48.3123 75.1560 15.3205 20.7525 5.8958 0.2292 134.7084 17.5673 2.1743 2.4802 3.1067 35.4664 28.4364 85.4095 76.7933 30.7294 3.8636 27.3957 110.0712 1.4212 3.7787 4.2807 132.3870 62.2246 6.7398 19.4158 6.4596 1.6580 2.9057 19.1184 4.2882 8.1506 11.4189 12.6604 2.8923 4.5251 6.8537 16.2534 22.9076 4.7928 166.5896 314.5005 64.5189 6.3532 100.9199 251.9254 109.8683 297.6648 56.5458 32.4232 13.3364 33.1352 21.4767 29.1059 3.7914 12.3177 18.2209 14.0991 42.1584 7.4246 6.5189 13.6661 87.1629 32.8284 5.3048 36.6565 4.6912 0.2508 41.5884 5.3157 25.4443 15.3170 2.9136 1.8570 2.2995 3.0484 1.9425 0.7501 0.5677 1.6790 12.5079 90.5408 83.7042 449.3417 62.5286 0.8757 3.4868 1.8208 0.7243 1.4038 2.1471 0.0784 0.8370 0.1244 0.1879 0.5066 1.2780 0.5457 1.4342 1.1681 0.7424 1.1430 0.1473 0.4546 0.1890 1.3492 0.0701 1.2439 0.1473 0.7035 0.0974 0.5640 0.2746 0.5668 0.6688 0.2167 1.3063 0.6090 0.7480 0.8334 1.8655 2.4016 1.5219 2.6762 0.1131 4.1594 0.7012 2.8233 2.5829 1.8403 2.1455 5.3953 3.7070 7.2232 1.7955 6.5295 0.6940 1.1721 5.1004 0.6620 4.8885 3.7853 3.7041 7.7947 1.8751 3.1234 2.0976 1.8596 4.7407 4.7825 1.1806 6.4303 1.5227 3.2409 2.3296 6.4411 5.5962 0.9930 4.5404 2.4301 2.6194 1.3674 3.8056 7.9940 5.0916 0.8563 9.2850 6.0953 11.4526 8.1305 3.6497 1.9514 17.4986 9.6481 11.1472 0.1268 1.0393 10.5581 4.1876 3.7625 7.0603 5.0089 18.5897 2.8484 7.0579 2.6650 4.4775 4.1162 8.7159 10.8256 34.1692 1.6436 21.3291 4.0051 2.9760 14.0621 2.9243 4.1029 26.9993 7.5001 39.7235 21.7123 6.8324 11.9024 3.3001 7.8396 0.2732 1.8812 6.5657 37.1192 2.5614 1.3116 4.5834 1.5504 1.9610 2.9938 2.9152 1.9930 1.0693 12.3340 4.8692 0.7973 4.3545 18.0375 13.8498 11.8656 30.8570 7.7664 4.1975 10.9226 32.7358 1.7653 5.7669 6.5291 0.5857 6.3845 3.6001 8.1759 2.8019 17.3766 48.8522 124.1683 5.5526 28.0569 1.6068 9.5487 68.0945 39.6632 31.3507 134.4172 68.6988 49.0551 141.2817 71.7014 73.6516 82.7246 98.4384 22.3830 83.5249 54.0615 28.6305 43.0547 65.4088 98.9234 76.4923 69.3603 71.9099 72.5428 61.9899 51.8998 49.1159 60.1346 74.7197 52.4166 51.6178 65.2838 58.7388 192.7558 44.0442 75.7098 50.0175 78.0287 42.4538 0.7490 0.7499 0.7419 0.7313 0.7441 0.7439 0.4460 0.7175 0.7187 0.7145 0.7137 0.7498 0.7433 0.6844 0.2257 0.7444 0.7444 0.4707 0.6775 0.4102 0.2005 0.7451 0.1302 0.2507 0.5533 0.6920 0.4583 0.4034 0.4906 0.5320 0.3460 0.0113 0.3481 0.1876 0.0745 0.3376 0.6379 0.5289 0.7474 0.7480 0.5780 0.3769 0.7021 0.3240 0.2156 0.1974 0.1844 0.1910 0.6902 0.4889 0.0943 0.7392 0.4836 0.1739 0.4013 0.1197 0.3315 0.1499 0.1094 0.1394 0.7470 0.0977 0.2544 0.3511 0.2595 0.7345 0.5571 0.2748 0.2988 0.3883 0.1514 0.5267 0.7426 0.5691 0.7392 0.7389 0.2825 0.7291 0.2477 0.6549 0.7483 0.2895 0.7413 0.2542 0.3058 0.7439 0.7005 0.2797 0.5926 0.4438 0.7003 0.5783 0.1176 0.3358 0.3531 0.5749 0.6817 0.2873 0.5781 0.7350 0.6266 0.2438 0.2523 0.6867 0.7173 0.2364 0.1440 0.4956 0.7462 0.2006 0.7383 0.7329 0.6037 0.0687 0.7406 0.3455 0.1596 0.7450 0.7456 0.7461 0.6910 0.7424 0.6589 0.4766 0.3721 0.7186 0.6566 0.6980 0.4103 0.5311 0.6411 0.7310 0.6528 0.3257 0.3818 0.7381 0.7444 0.3599 0.7497 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66 67 68 6 6 6 6 1 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 6 7 6 6 6 6 6 7 1 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 12.00000 12.00000 12.00000 12.00000 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 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 9852.4485 25452.1836 32235.1613 0.99997 -0.00708 0.00084 0.00708 0.99997 0.00273 -0.00086 -0.00272 1.00000 1 0.00879 0.00340 0.00269 0.18318 0.07091 0.05599 15.18 20.89 36.23 45.84 56.56 63.51 94.91 103.17 132.91 148.03 156.21 177.06 198.59 205.10 243.88 258.28 263.07 275.26 302.61 307.63 341.58 352.58 373.83 382.83 390.43 405.62 410.55 429.77 462.55 481.59 490.41 518.96 523.03 538.25 571.04 630.52 655.80 695.14 709.96 743.50 750.83 769.29 783.41 823.16 827.43 865.05 901.66 932.52 981.68 993.29 1051.55 1075.21 1110.13 1121.86 1151.87 1183.51 1191.14 1213.53 1222.53 1236.54 1254.05 1276.00 1281.39 1286.25 1305.71 1325.48 1335.26 1354.54 1365.35 1374.77 1379.18 1438.12 1445.33 1450.72 1506.90 1523.61 1537.23 1548.46 1570.70 1574.39 1578.39 1585.80 1611.49 1616.33 1637.98 1641.31 1649.81 1651.28 1659.74 1669.62 1694.17 1697.99 1705.31 1746.52 1767.90 1776.04 1781.83 1811.52 1853.09 1864.36 1873.76 1899.11 1917.53 1931.36 1939.38 1955.84 1973.32 1975.33 1983.90 1993.73 2014.91 2036.87 2045.50 2056.26 2089.11 2091.18 2091.78 2097.91 2101.94 2104.36 2138.83 2165.37 2176.45 2199.00 2207.01 2211.95 2222.27 2224.62 2227.37 2245.09 2251.17 2252.43 2257.11 2263.25 2264.10 2272.93 2283.42 2300.40 2331.41 2333.32 2344.68 2348.57 2351.92 2357.67 2360.46 2364.46 2365.74 2366.53 2370.46 2382.36 2386.18 2418.16 2440.20 2446.56 2459.04 2532.44 2624.56 2630.61 2679.12 2763.03 2803.05 4553.13 4586.32 4597.21 4603.64 4615.90 4622.82 4628.03 4641.43 4646.43 4664.99 4669.34 4675.86 4683.59 4689.88 4704.95 4710.74 4717.59 4720.58 4720.93 4729.27 4734.92 4742.03 4767.64 4776.76 4782.25 4786.94 4799.20 4806.31 4821.85 4898.89 4921.79 4928.63 5042.31 5266.97 5355.04 5483.54 5573.72 0.649198 0.677866 0.678810 0.586451 -1351.305788 -1351.277119 -1351.276175 -1351.368534 3.097736D-04 MUNgauss RevisionA2.1 retrievium 18-Feb-2021 DUDE CCC[C@H](C)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc3cn4c(cccc4[nH+]3)C C39670643 RHF 6-31G(d) (6D,10F) C1 427.294726 |X|Y|Z| 69.794675 114.620784 32.079480 63.548357 22 6 7 17 5 |36.858105| |12.462766|36.858105| |7.501084|12.443339|36.858105| |4.838337|7.366939|12.330398|36.858105| |4.558130|6.863660|8.854256|17.536822|0.500000| |4.155970|6.013069|7.418022|12.431190|0.247223|36.858105| |3.806090|4.914667|7.694906|12.528468|0.246701|7.642898|36.858105| |3.410317|4.171091|6.103535|7.978786|0.164095|6.720101|15.887642|73.516695| |3.354673|4.104565|5.742134|7.654596|0.204908|5.193847|13.877440|15.266324|53.358707| |3.353978|4.067065|5.174144|6.361658|0.207263|4.410742|7.516028|9.431311|17.886633|36.858105| |2.755571|3.128869|3.783336|4.258626|0.128874|3.293812|5.136921|7.474263|10.974778|12.263664|36.858105| |2.517380|2.840886|3.280955|3.690060|0.114872|2.972425|4.177099|6.217482|7.985879|8.729398|17.558435|0.500000| |2.457011|2.784680|3.419012|3.963250|0.113033|3.227757|5.232160|8.240264|11.052354|7.834048|12.258133|0.241334|36.858105| |2.776236|3.199811|4.200596|4.984039|0.131532|3.930099|7.843396|12.720829|17.893417|7.868007|7.936384|0.158294|12.387431|36.858105| |2.221583|2.552810|3.031131|3.663500|0.107246|3.163704|4.577114|7.319646|8.533513|6.260817|7.600033|0.204004|12.295167|7.503714|36.858105| |1.974266|2.239972|2.635527|3.138558|0.088426|2.864050|3.912494|6.787195|6.501092|4.344145|4.884186|0.130018|7.404490|6.028662|12.498822|36.858105| |1.809917|2.002299|2.331781|2.652769|0.074011|2.413509|3.249064|5.749451|5.315387|3.632693|4.351060|0.116416|6.428799|5.105242|7.672896|12.646486|53.358707| |1.691428|1.861660|2.151779|2.432529|0.067174|2.263708|2.943132|5.338697|4.613163|3.108576|3.562188|0.095392|4.905666|4.296417|5.671296|9.176116|25.659659|0.500000| |1.724191|1.896746|2.173881|2.449454|0.069401|2.227752|2.912001|5.055266|4.760887|3.421752|4.200546|0.118205|5.717196|4.331850|6.968096|9.187977|25.668248|0.328684|0.500000| |1.919780|2.096836|2.480190|2.745476|0.075406|2.432871|3.441363|6.142599|5.745174|3.842294|4.816494|0.121131|7.477247|6.029852|6.520475|7.588341|17.221363|0.254743|0.255309|36.858105| |2.139681|2.341146|2.791943|3.066838|0.085886|2.602383|3.849116|6.494716|6.961707|4.963927|7.308304|0.173864|12.387415|7.404594|7.629304|6.477195|10.425140|0.157305|0.194005|12.489500|36.858105| |2.855075|3.086427|3.678618|3.759655|0.110012|2.918276|4.350501|6.591435|8.130411|7.653142|12.488812|0.248387|7.291692|6.056376|4.886116|3.696681|4.866386|0.084321|0.096832|4.206793|6.254096|36.858105| |2.836349|2.989366|3.626797|3.575402|0.099680|2.811860|4.257994|6.766654|7.537637|5.930862|7.888576|0.164803|6.453495|6.127670|4.281925|3.482763|4.748849|0.083749|0.092453|4.347258|6.257889|15.775120|73.516695| |2.820033|2.980060|3.353530|3.332294|0.100176|2.642036|3.573958|5.443473|6.143195|5.980468|7.840571|0.209746|5.028361|4.304372|3.922935|3.061022|4.041413|0.071541|0.082632|3.336665|4.548343|14.083643|15.181052|53.358707| |2.907803|2.920497|3.184991|2.990357|0.087877|2.411998|3.108928|4.856830|4.980435|4.434082|5.044188|0.133163|3.766488|3.487219|3.050421|2.516556|3.371473|0.061214|0.068624|2.791217|3.573175|7.768859|12.220494|17.819777|36.858105| |2.457206|2.428341|2.639484|2.492011|0.071633|2.076085|2.637118|4.268750|4.148412|3.467926|4.064114|0.108562|3.328243|3.066242|2.723073|2.327618|3.227853|0.059183|0.066204|2.716237|3.405001|5.886064|10.655138|10.376190|12.685350|36.858105| |2.177050|2.129692|2.258957|2.139963|0.061588|1.825763|2.230609|3.653939|3.431371|2.833099|3.241422|0.089430|2.750001|2.535335|2.343728|2.045099|2.854750|0.052992|0.059155|2.356117|2.846049|4.241527|7.548542|7.192583|7.397971|14.239620|36.858105| |1.971050|1.922101|2.052833|1.949957|0.055312|1.686424|2.059071|3.439259|3.137004|2.505047|2.871290|0.078282|2.555084|2.377648|2.182635|1.950985|2.777739|0.052061|0.057495|2.319784|2.737219|3.655280|6.855123|5.640727|5.173789|8.644940|13.602914|53.358707| |1.748852|1.699069|1.793339|1.709714|0.048402|1.503621|1.792804|3.023013|2.691280|2.124870|2.394234|0.065958|2.179606|2.039755|1.909185|1.736317|2.481946|0.047060|0.051589|2.043153|2.339954|2.902765|5.386412|4.382035|3.812935|5.364281|7.591249|18.812620|36.858105| |1.628598|1.582865|1.679704|1.605611|0.045044|1.424490|1.697183|2.898838|2.529647|1.957718|2.199528|0.060078|2.058661|1.944230|1.808692|1.673226|2.419679|0.046288|0.050144|2.003553|2.246500|2.619658|4.964780|3.797474|3.181324|4.239977|5.176268|11.119878|14.072518|36.858105| |1.669281|1.627467|1.752242|1.675816|0.046583|1.483777|1.797769|3.098478|2.684268|2.043010|2.311947|0.062108|2.206337|2.100479|1.910406|1.781290|2.605709|0.049925|0.053588|2.201872|2.456241|2.772396|5.435338|3.875648|3.186976|4.222604|4.651775|9.553549|7.896348|13.437911|36.858105| |1.854298|1.815409|1.985298|1.894192|0.052489|1.654268|2.058837|3.538266|3.112382|2.363933|2.718258|0.071743|2.584924|2.462744|2.176091|2.008279|2.942755|0.055817|0.060073|2.546607|2.909884|3.379429|6.886441|4.635397|3.832934|5.294984|5.340922|10.812192|6.754654|7.870598|14.006574|36.858105| |2.044324|2.003046|2.186645|2.076756|0.058200|1.784826|2.240652|3.774515|3.437675|2.688169|3.129825|0.082902|2.844326|2.670009|2.362574|2.121694|3.057320|0.057163|0.062638|2.628942|3.127064|4.098232|8.229207|5.918155|5.224835|8.584991|8.547220|19.227731|7.967104|6.996329|8.108304|13.597492|36.858105| |2.334921|2.308034|2.564707|2.427114|0.068219|2.036578|2.644066|4.381403|4.149820|3.298635|3.923498|0.101192|3.427298|3.208177|2.738860|2.394711|3.402553|0.062639|0.069126|2.964436|3.694226|5.644797|11.859875|8.165209|7.552402|13.832632|8.704938|11.987313|5.469322|4.723550|5.226120|7.642320|14.259996|53.358707| |2.447568|2.443210|2.787207|2.643286|0.073376|2.194864|2.955871|4.923021|4.697748|3.639784|4.385173|0.108272|3.912917|3.730132|3.005961|2.625660|3.741455|0.068497|0.074854|3.358696|4.268684|6.548099|16.068529|8.323151|6.890292|9.071348|6.060897|8.268710|4.317712|3.963593|4.558742|6.630702|9.084834|25.900650|0.500000| |1.670315|1.619763|1.681237|1.605570|0.045817|1.421979|1.657819|2.782134|2.471378|1.971249|2.186065|0.061218|1.972687|1.843234|1.763583|1.601539|2.264183|0.043042|0.047290|1.825878|2.076562|2.583146|4.645177|3.985748|3.445941|4.463965|6.409830|10.518624|12.708899|7.527222|4.980073|4.412961|5.105322|5.629199|0.094606|36.858105| |17.570295|8.788385|5.469538|4.015714|0.108947|3.642949|3.205496|5.162378|3.922699|2.932641|2.456921|0.063590|2.195758|2.426822|2.020186|1.806359|2.260693|0.043292|0.044242|1.745277|1.932020|2.531909|4.429094|3.469590|2.644016|2.260024|2.040407|2.514527|1.657028|1.541380|1.566025|1.719953|1.891233|2.898889|0.061190|1.601303|0.500000| |17.552469|8.775894|6.807282|4.465052|0.111518|3.995985|3.676572|6.113611|4.325798|3.059618|2.565863|0.064689|2.349730|2.698116|2.118645|1.914420|2.405237|0.046185|0.046511|1.884711|2.073175|2.666420|4.823935|3.521040|2.672293|2.317690|2.060575|2.581878|1.692170|1.592405|1.645056|1.826301|1.986311|3.062009|0.065982|1.605668|0.302032|0.500000| |17.524315|8.760380|6.784459|4.500031|0.120945|3.684207|3.732600|5.878487|4.679214|3.530879|2.948371|0.074498|2.569936|2.868772|2.278457|2.003302|2.523925|0.047856|0.049260|1.989174|2.252024|3.165796|5.613477|4.330604|3.384742|2.809812|2.463656|2.999837|1.934131|1.785553|1.826306|2.042183|2.282539|3.590430|0.076511|1.841873|0.301769|0.301609|0.500000| |8.892117|17.568695|8.829784|6.672523|0.168463|6.640049|4.481078|7.059675|4.975420|3.533473|2.773483|0.070820|2.540772|2.916661|2.387807|2.136125|2.588045|0.049554|0.049963|1.966632|2.153162|2.684052|4.637734|3.512916|2.512487|2.137664|1.900731|2.360491|1.550004|1.454105|1.495022|1.654367|1.804208|2.789628|0.060119|1.483121|0.214082|0.211188|0.173192|0.500000| |8.850816|17.498317|8.838551|6.837858|0.208909|5.478277|4.604160|6.731139|5.553453|4.332969|3.280539|0.084403|2.831094|3.143445|2.628738|2.265977|2.741909|0.051715|0.053491|2.089329|2.358789|3.197178|5.329718|4.314020|3.073260|2.503396|2.201116|2.665429|1.728405|1.596004|1.626778|1.809512|2.016853|3.170701|0.067762|1.661775|0.212649|0.172876|0.210490|0.304065|0.500000| |7.016380|8.889100|17.469197|8.805533|0.210136|5.454400|7.255324|10.055351|8.494708|5.897694|4.333039|0.101688|3.751488|4.577112|3.177414|2.706279|3.309401|0.061674|0.063197|2.642675|3.063974|4.439121|7.852944|5.464024|3.850193|3.098582|2.586787|3.164118|1.997931|1.857546|1.942660|2.230141|2.494594|4.078303|0.091340|1.857580|0.142218|0.173432|0.208497|0.173888|0.209944|0.500000| |6.808634|8.826217|17.546526|8.859189|0.174243|6.872785|7.023182|11.568907|6.897521|4.301705|3.355595|0.080813|3.175361|3.999310|2.811448|2.522663|3.075902|0.058601|0.058068|2.423195|2.666017|3.309351|6.022962|4.058042|2.875394|2.462127|2.123129|2.673023|1.727427|1.635831|1.720398|1.947019|2.111002|3.331525|0.074399|1.610479|0.139825|0.202013|0.166685|0.212606|0.173337|0.304312|0.500000| |4.416191|6.609986|6.689082|8.797383|0.215229|17.600560|5.536635|8.716709|5.734568|3.861626|2.947930|0.075604|2.819385|3.285316|2.785093|2.520191|2.933437|0.056343|0.056018|2.163101|2.319332|2.660525|4.525031|3.373797|2.297568|1.975983|1.755945|2.198935|1.448252|1.367860|1.414022|1.564845|1.691702|2.609161|0.056706|1.381389|0.111230|0.115298|0.105037|0.228968|0.171313|0.137343|0.167307|0.500000| |3.390918|4.580610|5.429284|8.770137|0.211593|17.559438|7.003929|11.289918|6.968022|4.340993|3.298335|0.083874|3.325655|3.979933|3.414106|3.133692|3.496634|0.067134|0.065637|2.524036|2.658384|2.827502|4.792182|3.467437|2.287033|1.984915|1.753808|2.212151|1.454296|1.380793|1.438029|1.598662|1.718432|2.655692|0.058324|1.377045|0.084795|0.090539|0.085968|0.136678|0.122905|0.122714|0.140932|0.302581|0.500000| |4.026708|5.417266|6.796861|8.793469|0.173772|17.609507|6.902531|12.742874|6.328138|3.817542|2.990638|0.074473|3.009055|3.743713|2.905933|2.711115|3.167045|0.061339|0.059236|2.371406|2.491725|2.716396|4.779966|3.326204|2.265651|1.983732|1.749914|2.224365|1.462736|1.396039|1.462572|1.629678|1.740601|2.685950|0.059346|1.377342|0.097459|0.113448|0.098356|0.169381|0.129212|0.140730|0.206058|0.300599|0.302149|0.500000| |3.145790|3.892444|4.655011|6.083805|0.219502|4.510227|6.440851|8.363519|12.282324|17.567973|8.741508|0.225535|6.457337|6.095275|6.333915|4.355155|4.771928|0.083978|0.093169|3.502336|4.306554|5.680297|8.030170|6.760490|3.799354|3.036973|2.563834|3.089491|1.957675|1.804409|1.863625|2.119555|2.390056|3.883333|0.085296|1.844064|0.078254|0.079079|0.089906|0.096684|0.119100|0.137108|0.107350|0.111963|0.128772|0.104658|0.500000| |3.952114|4.792151|6.026818|6.587990|0.220304|4.373816|6.708484|8.558126|12.278829|17.595708|8.671016|0.191769|5.698474|5.953458|4.642032|3.491925|4.149615|0.074086|0.080753|3.268266|4.137303|7.577378|10.576717|8.987312|5.123749|3.769304|3.041814|3.583988|2.215665|2.019013|2.090709|2.420205|2.797106|4.730459|0.105226|2.065102|0.094462|0.097135|0.119196|0.109929|0.145822|0.207802|0.131608|0.109978|0.113584|0.105199|0.303480|0.500000| |2.819109|3.143073|4.141862|4.505345|0.115785|3.570841|6.683196|11.699205|12.343439|6.314703|6.690499|0.136216|8.758245|17.589112|5.498718|4.777890|6.111441|0.108197|0.107572|5.765848|7.075231|6.238373|12.997199|5.921754|3.666771|3.295847|2.686575|3.476135|2.172184|2.084667|2.288369|2.731718|2.941295|4.870784|0.119905|1.932787|0.067896|0.077259|0.082081|0.078845|0.084172|0.129660|0.113110|0.084233|0.097135|0.097461|0.135157|0.149932|0.500000| |2.567242|2.965276|3.831638|4.660423|0.119756|3.963747|7.309361|13.873598|12.494247|5.853170|5.680466|0.126497|8.614332|17.644441|7.082699|6.812582|7.462061|0.132967|0.122915|6.108396|6.237710|4.523923|8.208774|4.721631|2.912109|2.623372|2.225992|2.880686|1.847795|1.780015|1.924008|2.223210|2.361002|3.749828|0.087518|1.679138|0.062912|0.070251|0.072234|0.077185|0.080049|0.110294|0.104620|0.090706|0.115303|0.107448|0.141191|0.129324|0.303416|0.500000| |2.366666|2.792345|3.321468|4.234070|0.127280|3.671443|5.213158|8.008920|9.533298|7.014748|6.925783|0.186565|8.715722|7.019068|17.596072|9.038315|7.633951|0.127358|0.142973|4.891393|5.516916|4.481332|6.922272|5.063454|2.934858|2.564236|2.217626|2.785164|1.797256|1.695909|1.777463|2.010414|2.190248|3.451268|0.076657|1.676891|0.059781|0.062230|0.066614|0.073028|0.080586|0.094522|0.084209|0.088929|0.113346|0.091050|0.221871|0.139932|0.140401|0.189656|0.500000| |2.078405|2.358748|2.718785|3.197219|0.095599|2.789283|3.762175|6.004456|6.707671|5.445575|7.049089|0.225484|8.765300|5.489151|17.511300|8.911330|9.362250|0.143636|0.202954|5.694276|6.835271|4.711141|7.105042|5.433158|3.065319|2.754908|2.400833|3.025612|1.951105|1.837179|1.921118|2.171074|2.372322|3.710706|0.081450|1.815906|0.053087|0.054718|0.059553|0.061262|0.068387|0.079554|0.069658|0.069969|0.082927|0.070986|0.159168|0.118096|0.122831|0.141115|0.303845|0.500000| |2.037025|2.323442|2.777500|3.347609|0.091500|3.107972|4.324154|7.875707|6.866602|4.222168|4.440738|0.113127|6.600244|6.541237|8.731047|17.648835|12.431496|0.226165|0.181165|6.895206|5.664800|3.476197|6.004137|3.895727|2.403468|2.221648|1.949101|2.543187|1.665920|1.613685|1.726836|1.948694|2.043345|3.136892|0.070749|1.533280|0.051486|0.055390|0.056931|0.062006|0.064329|0.078158|0.075066|0.074526|0.095317|0.083083|0.115522|0.095285|0.142947|0.239311|0.214745|0.173174|0.500000| |1.837946|2.084727|2.399142|2.856524|0.081435|2.682387|3.403668|5.894816|5.409050|3.751776|4.077205|0.113738|5.425033|4.593870|8.781735|17.630393|12.359315|0.221709|0.225462|5.577047|4.889936|3.166448|5.255767|3.712930|2.273493|2.108963|1.882267|2.442951|1.614506|1.555853|1.642012|1.827349|1.925887|2.919679|0.064311|1.504665|0.047187|0.049409|0.051495|0.055805|0.058967|0.067575|0.063691|0.066562|0.082674|0.070230|0.108924|0.085916|0.105153|0.141521|0.213425|0.217276|0.301816|0.500000| |1.982316|2.169079|2.604510|2.886547|0.077367|2.577352|3.722001|6.934995|6.020125|3.770727|4.417379|0.107538|6.720936|6.618061|5.749575|6.931478|12.427391|0.224897|0.181017|17.627363|8.746836|3.923689|7.461078|4.222875|2.655051|2.568954|2.225198|2.991923|1.941623|1.914514|2.115585|2.447778|2.503293|3.841455|0.089762|1.734411|0.049761|0.054606|0.056688|0.056764|0.059215|0.076478|0.071913|0.062869|0.074150|0.070914|0.094499|0.089721|0.182400|0.204665|0.128865|0.132376|0.206694|0.142565|0.500000| |1.764963|1.899044|2.209175|2.393391|0.065782|2.145178|2.909011|5.219538|4.697507|3.227222|3.996720|0.103650|5.453211|4.592159|4.896789|5.577369|12.371114|0.222697|0.224680|17.628681|8.766422|3.713300|6.938092|4.160747|2.624894|2.634621|2.323969|3.178438|2.079166|2.066539|2.292265|2.635200|2.659345|3.976897|0.091006|1.846321|0.044863|0.048301|0.050937|0.049601|0.052536|0.065411|0.060307|0.053663|0.061402|0.058454|0.082463|0.078766|0.128207|0.127906|0.107808|0.127972|0.142495|0.126523|0.301443|0.500000| |2.004689|2.177761|2.530119|2.755999|0.078794|2.362797|3.302692|5.496796|5.813618|4.479898|6.777265|0.184438|8.789924|5.442357|6.851897|5.701254|9.404486|0.144107|0.204987|8.892378|17.493730|5.963999|9.891968|6.376134|3.623086|3.513732|2.984551|3.891958|2.450256|2.334850|2.521525|2.956148|3.209679|5.084059|0.115486|2.185138|0.050828|0.053578|0.058817|0.055710|0.061736|0.076972|0.066518|0.059494|0.067156|0.062374|0.112279|0.106279|0.143542|0.131216|0.139683|0.201292|0.131612|0.128839|0.173042|0.215139|0.500000| |2.204347|2.368510|2.837375|3.006063|0.082892|2.527082|3.754750|6.411998|6.606962|4.650076|6.566288|0.150476|8.781216|6.874298|5.520629|4.861344|7.619345|0.127075|0.143336|9.005756|17.642995|6.809986|14.099093|6.532822|3.901976|3.831916|3.129660|4.164378|2.571533|2.483860|2.776108|3.393377|3.633328|5.974054|0.148383|2.231583|0.054973|0.059721|0.065165|0.060017|0.065629|0.088170|0.076067|0.062766|0.070287|0.068028|0.108474|0.113363|0.215461|0.156572|0.122954|0.139682|0.126908|0.107566|0.213488|0.213335|0.303363|0.500000| |2.740720|2.943205|3.232108|3.291527|0.102128|2.637010|3.432849|5.174930|5.852336|6.014353|7.527713|0.235633|4.746075|3.973062|3.968414|3.045332|3.942832|0.069803|0.081703|3.132183|4.162125|9.386028|10.892197|26.051034|9.077316|5.929861|4.630180|4.957715|2.939145|2.546436|2.552746|2.959507|3.672680|6.383707|0.129569|2.763664|0.069797|0.069012|0.084778|0.071320|0.089119|0.104638|0.078768|0.069458|0.071327|0.066783|0.149272|0.182567|0.106873|0.090925|0.106756|0.115901|0.078089|0.076768|0.080331|0.079530|0.122167|0.115785|0.500000| |2.870606|2.861893|3.001811|2.817405|0.084189|2.306570|2.832484|4.418012|4.430271|3.987212|4.324319|0.119959|3.274766|3.034567|2.777862|2.306053|3.061681|0.056009|0.062800|2.469359|3.073454|5.791785|8.923261|12.600165|17.641744|9.046791|7.055397|6.444931|3.660990|3.001314|2.905595|3.344904|4.417652|7.678306|0.140027|3.500734|0.074030|0.072210|0.092860|0.068624|0.085444|0.098628|0.074650|0.062045|0.060799|0.059781|0.099324|0.129182|0.086533|0.071953|0.075493|0.078616|0.061052|0.058833|0.065247|0.064773|0.087677|0.090476|0.237098|0.500000| |3.369774|3.310104|3.648991|3.276026|0.094511|2.596036|3.377571|5.264942|5.280265|4.543672|4.791555|0.120014|3.677666|3.613756|2.949174|2.460274|3.264378|0.059709|0.065362|2.718876|3.417682|7.184155|12.604840|12.444517|17.584966|9.030791|5.906864|6.207830|3.466873|2.980598|3.044767|3.679682|4.811973|9.337183|0.189213|3.115228|0.083343|0.085938|0.112536|0.077489|0.095199|0.127434|0.091463|0.068560|0.067142|0.068176|0.105552|0.152544|0.108082|0.083600|0.079943|0.080148|0.066510|0.061469|0.073530|0.070527|0.092756|0.105000|0.189641|0.303062|0.500000| |2.110572|2.059632|2.143039|2.033797|0.059044|1.749611|2.084134|3.403071|3.175027|2.645382|2.961954|0.083448|2.504693|2.309276|2.188118|1.911366|2.644009|0.049279|0.055052|2.139263|2.548889|3.705049|6.372987|6.386785|6.306596|8.705127|17.869170|11.981793|6.704841|4.576799|3.930061|4.222488|5.884033|8.008174|0.127020|6.978438|0.055656|0.055096|0.066151|0.051256|0.059722|0.067442|0.055661|0.047171|0.046744|0.046386|0.067819|0.079264|0.066889|0.056833|0.058124|0.062759|0.050517|0.049393|0.056143|0.058484|0.074617|0.076056|0.121568|0.192991|0.141920|0.500000| |1.503247|1.459529|1.537782|1.473457|0.041332|1.319330|1.549228|2.656122|2.290829|1.766422|1.964135|0.053947|1.852336|1.755008|1.651130|1.540099|2.225112|0.042856|0.046198|1.821541|2.011650|2.288488|4.292251|3.305210|2.725364|3.460758|4.153314|7.833866|9.084410|17.770679|8.816702|5.634168|5.020028|5.081186|0.090060|6.924209|0.039770|0.040910|0.045492|0.037473|0.040880|0.046827|0.041704|0.035317|0.035597|0.035970|0.045634|0.050470|0.051911|0.045038|0.043180|0.046665|0.041311|0.040056|0.048464|0.052326|0.058084|0.061017|0.062557|0.072708|0.071441|0.107662|0.500000| |1.559215|1.520898|1.636840|1.570113|0.043429|1.403320|1.687217|2.935876|2.497620|1.877353|2.106327|0.056518|2.047206|1.964947|1.790256|1.693240|2.490807|0.048183|0.051114|2.098873|2.288424|2.469075|4.842262|3.392812|2.728990|3.440629|3.685902|6.846046|5.653649|8.845824|17.741237|9.026366|5.710611|5.671431|0.106352|4.069299|0.040718|0.042956|0.047012|0.039069|0.042040|0.049971|0.044965|0.037140|0.037864|0.038618|0.047814|0.053018|0.059433|0.050585|0.046297|0.049841|0.045808|0.043499|0.056381|0.061253|0.064861|0.071445|0.062715|0.069622|0.073391|0.089487|0.214203|0.500000| |1.867680|1.836090|2.033979|1.944985|0.053355|1.700816|2.145234|3.731773|3.236337|2.404582|2.763774|0.071738|2.701101|2.611909|2.249706|2.100750|3.108684|0.059197|0.062786|2.745791|3.095167|3.403571|7.182290|4.465551|3.570783|4.616455|4.350622|7.709967|4.894627|5.584862|8.893478|17.768169|8.852424|9.180922|0.187285|3.535873|0.047813|0.051527|0.056812|0.046595|0.050399|0.063361|0.055956|0.044383|0.045680|0.046853|0.059485|0.067709|0.081951|0.065794|0.057423|0.061587|0.057073|0.052692|0.074153|0.079561|0.085513|0.102621|0.078865|0.085503|0.097697|0.098240|0.123321|0.213546|0.500000| |1.755522|1.684446|1.731613|1.636547|0.046743|1.447156|1.672280|2.796754|2.475347|1.980151|2.159420|0.060221|1.929384|1.822404|1.724410|1.559485|2.181065|0.041466|0.045311|1.753284|1.996799|2.557295|4.585433|3.990282|3.554253|4.481757|6.434744|9.333722|8.891342|5.895795|4.296565|3.976284|4.691729|5.441531|0.091976|17.555445|0.046947|0.046733|0.054129|0.042707|0.048080|0.053255|0.045980|0.039234|0.038722|0.038911|0.051463|0.058338|0.053068|0.046051|0.045940|0.049080|0.041659|0.040714|0.046579|0.048807|0.057804|0.059507|0.077055|0.102879|0.090602|0.209605|0.151570|0.099528|0.090696|0.500000| 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