Version2.1 2021-01-27T01:13:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[C@@H](C(=O)NC1CCCC1)N2C(=O)[C@@]3([C@H]4C(=c5ccccc5=[NH+]4)CCN3C2=O)C C63374517 RHF 6-31G(d) (6D,7F) CC(C)C[C@@H](C(=O)NC1CCCC1)N2C(=O)[C@@]3([C@H]4C(=c5ccccc5=[NH+]4)CCN3C2=O)C C01[X(C25H33N4O3)] 189 C1 546 CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)[C@@H]1[NH+]=c3c(=C1CC2)cccc3)C(=O)NC1CCCC1)C CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)[C@@H]1[NH+]=c3c(=C1CC2)cccc3)C(=O)NC1CCCC1)C CC(C)C[C@H](N1C(=O)N2CCC3=C4C=CC=CC4=[NH+][C@H]3[C@@]2(C)C1=O)C(=O)NC5CCCC5 InChIKey=BROUXBDROLBQRO-BKSPAHHJSA-O InChI=1S/C25H32N4O3/c1-15(2)14-20(22(30)26-16-8-4-5-9-16)29-23(31)25(3)21-18(12-13-28(25)24(29)32)17-10-6-7-11-19(17)27-21/h6-7,10-11,15-16,20-21H,4-5,8-9,12-14H2,1-3H3,(H,26,30)/p+1/t20-,21+,25-/m0/s1 InChI=1/C25H32N4O3/c1-15(2)14-20(22(30)26-16-8-4-5-9-16)29-23(31)25(3)21-18(12-13-28(25)24(29)32)17-10-6-7-11-19(17)27-21/h6-7,10-11,15-16,20-21H,4-5,8-9,12-14H2,1-3H3,(H,26,30)/p+1/t20-,21+,25-/m0/s1/fC25H33N4O3/h26-27H/q+1 CC(C)C[C@@H](C(=O)NC1CCCC1)N2C(=O)[C@@]3([C@H]4C(=c5ccccc5=[NH+]4)CCN3C2=O)C C01[X(C25H33N4O3)] 189 C01 546 CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)[C@@H]1[NH+]=c3c(=C1CC2)cccc3)C(=O)NC1CCCC1)C CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)[C@@H]1[NH][C]3[C](=C1CC2)[CH]=[CH][CH]=[CH]3)[C]([NH]C1CCCC1)=O)C CC(C)C[C@H](N1C(=O)N2CCC3=C4C=CC=C[C]4N[C@H]3[C@@]2(C)C1=O)C(=O)NC5CCCC5 InChIKey=SPKDJNFKPFGVDN-BKSPAHHJSA-N InChI=1S/C25H33N4O3/c1-15(2)14-20(22(30)26-16-8-4-5-9-16)29-23(31)25(3)21-18(12-13-28(25)24(29)32)17-10-6-7-11-19(17)27-21/h6-7,10-11,15-16,20-21,27H,4-5,8-9,12-14H2,1-3H3,(H,26,30)/t20-,21+,25-/m0/s1 InChI=1/C25H33N4O3/c1-15(2)14-20(22(30)26-16-8-4-5-9-16)29-23(31)25(3)21-18(12-13-28(25)24(29)32)17-10-6-7-11-19(17)27-21/h6-7,10-11,15-16,20-21,27H,4-5,8-9,12-14H2,1-3H3,(H,26,30)/t20-,21+,25-/m0/s1/f/h26H 3464.4466535474 -1408.1851207 1-A 15480.6706 117 429 546 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.66901 -20.64511 -20.61025 -15.77338 -15.72198 -15.71189 -15.66552 -11.49721 -11.48580 -11.48416 -11.45297 -11.44913 -11.43482 -11.43264 -11.42127 -11.40656 -11.40419 -11.39935 -11.38873 -11.38697 -11.38438 -11.38185 -11.33963 -11.32893 -11.31900 -11.31682 -11.29730 -11.28939 -11.28593 -11.27689 -11.27638 -11.27439 -1.55334 -1.52277 -1.48435 -1.47893 -1.42676 -1.36225 -1.32049 -1.30764 -1.26786 -1.21501 -1.19587 -1.18054 -1.17744 -1.16917 -1.12126 -1.11314 -1.04717 -1.03302 -1.03103 -1.02700 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437.25527 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 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 11.5795 17.1650 22.5884 37.9837 38.0945 45.6984 54.5691 56.0621 66.3735 70.6193 89.0935 100.4381 126.8827 129.1904 144.4291 176.5353 185.7750 204.4354 216.4696 249.1626 259.0437 261.2963 270.1484 274.3929 285.2013 297.3721 315.3616 332.9008 340.5314 360.9728 365.6984 401.3879 418.6448 431.5967 451.6054 467.5285 469.9321 484.8310 498.0447 515.5481 534.5996 535.7674 541.2764 561.7840 570.1431 606.4685 619.7270 630.2154 673.5345 685.3846 688.9361 722.0559 731.1387 746.3852 783.0427 813.6317 823.5298 834.0858 841.3102 853.9240 860.5279 884.2227 889.4876 904.9136 924.2547 938.2884 944.9058 952.0528 970.5047 978.9709 986.9307 1006.7240 1011.5007 1021.8700 1033.2364 1043.2028 1046.9850 1049.8927 1054.7210 1064.5983 1074.1698 1094.4405 1117.1066 1122.4149 1129.2528 1139.0489 1155.8127 1157.9729 1180.2184 1189.8211 1200.1784 1221.7611 1235.7674 1245.1478 1247.6905 1261.9846 1267.9363 1291.5488 1302.8492 1307.2615 1320.7370 1321.8770 1323.5331 1328.9414 1346.5840 1355.4389 1359.3912 1386.0121 1388.8824 1403.1805 1407.3140 1433.6094 1439.3701 1441.8847 1455.2820 1457.5974 1472.6777 1475.8245 1481.5970 1482.6241 1486.7323 1495.1176 1512.4850 1521.8720 1531.0442 1535.1769 1545.4351 1552.0630 1558.1142 1562.2805 1564.8782 1576.5770 1578.6287 1584.1883 1595.2466 1602.6049 1627.2616 1629.7720 1630.9164 1633.5088 1638.2179 1642.4723 1642.8644 1645.4729 1646.1816 1647.3476 1650.8736 1660.7459 1671.9958 1724.3648 1744.6814 1770.2096 1847.9239 1918.3127 1977.2311 2041.6844 3186.2014 3197.9152 3199.2056 3202.0655 3204.7201 3206.6287 3213.4085 3218.4440 3222.2760 3224.0840 3240.7484 3257.3518 3257.5936 3257.8872 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1.6457 1.3524 1.5677 1.3919 2.3563 1.4302 1.4287 1.3018 1.4085 1.8230 2.0563 1.7183 1.5488 1.5168 1.5527 1.4255 2.9732 1.2421 3.4976 1.3050 1.3506 1.0705 1.0760 1.0819 2.7049 1.0566 1.1203 1.0641 1.0983 1.1009 1.1609 1.0613 1.0467 1.1129 2.0340 4.8733 5.0350 6.2665 10.0521 12.2873 12.1533 1.0727 1.0380 1.0659 1.0717 1.0540 1.0820 1.0715 1.0647 1.0371 1.0662 1.0672 1.1026 1.0953 1.0809 1.1023 1.0939 1.1008 1.0910 1.1032 1.0968 1.0998 1.0878 1.1044 1.0972 1.0918 1.1044 1.0997 1.0908 1.0906 1.0979 1.0998 1.0817 1.0781 0.0004 0.0008 0.0010 0.0029 0.0023 0.0036 0.0064 0.0053 0.0106 0.0118 0.0245 0.0304 0.0389 0.0434 0.0511 0.0711 0.0737 0.0800 0.1004 0.0393 0.1212 0.1080 0.0787 0.1069 0.0767 0.0695 0.1968 0.1804 0.2398 0.3754 0.2480 0.3578 0.6112 0.2735 0.4059 0.3117 0.3114 0.3917 0.3552 0.5423 0.3730 0.4481 0.5349 0.5982 0.4620 0.8734 0.9517 0.9170 0.7632 1.4451 1.1896 1.4471 1.0195 1.0355 1.1787 1.8400 0.8048 1.5555 0.8077 0.6334 1.8768 3.0496 0.7297 1.7214 2.0930 1.2005 1.5351 0.8211 1.4020 1.9411 1.4924 1.5035 0.7620 1.5841 1.2961 1.3420 1.1696 1.2369 1.4514 0.9882 1.2601 1.3876 1.2582 1.0168 1.6405 2.3691 1.5054 1.1078 2.2703 2.3127 2.5215 2.5134 2.4737 1.9955 2.1836 2.0607 1.6299 1.2671 1.6858 2.1205 1.7217 1.6411 1.6617 1.7333 2.1551 1.4984 1.6907 1.5658 1.3779 1.8573 2.2276 1.6751 1.6318 2.4243 2.2023 2.0600 1.7281 2.0117 1.8002 3.0517 1.8626 1.8817 1.7546 1.9220 2.5177 2.8554 2.4179 2.1982 2.1696 2.2329 2.0567 4.3542 1.8237 5.1717 1.9566 2.0437 1.6702 1.6838 1.6956 4.2524 1.6707 1.7806 1.6922 1.7521 1.7578 1.8561 1.7042 1.7008 1.8331 3.5634 8.7399 9.2960 12.6079 21.7946 28.3023 29.8484 6.4160 6.2543 6.4278 6.4744 6.3779 6.5553 6.5187 6.4976 6.3446 6.5300 6.6037 6.8929 6.8483 6.7596 6.9221 6.8764 6.9246 6.8847 6.9633 6.9301 6.9832 6.9404 7.0564 7.0143 7.0330 7.2038 7.2891 7.3906 7.4304 7.5319 7.5730 9.4530 9.6559 1.5543 0.6672 0.2836 2.0764 0.7527 2.3751 0.8107 0.7646 2.5221 3.7757 0.1426 3.5251 4.3807 3.9027 3.7663 2.6749 0.4432 2.1567 2.0947 0.5595 3.6592 5.4513 4.2859 1.6791 2.0689 1.0455 4.4291 0.9655 11.0125 2.1802 1.3915 1.6563 7.8747 11.5421 56.5468 33.7754 42.1822 42.8530 20.7718 27.0277 32.4431 20.6718 8.1109 13.3764 63.7748 24.0879 11.3981 10.9452 1.9654 2.0250 7.9712 3.6894 25.6370 0.7305 6.1013 10.3897 2.5556 1.6434 2.5585 95.5724 26.0302 31.0641 0.1963 17.3292 19.0394 16.6819 3.9192 9.6871 4.5107 1.2396 3.1735 10.4750 2.1766 4.2692 9.4141 7.4711 2.9332 6.4941 5.4278 2.9128 8.2800 2.4453 8.0185 1.7415 0.1342 7.5261 0.4985 2.2514 1.6641 23.4261 4.2340 7.6332 15.2001 10.5031 9.0391 30.9176 35.0254 23.1083 6.3852 27.5488 5.0070 1.5269 8.4782 7.7143 63.1001 3.9558 6.1391 36.2570 1.6535 27.5972 18.8886 7.8855 12.1187 20.6454 88.7313 31.5517 0.8672 66.0447 5.5079 27.5395 12.9280 5.6781 21.0237 29.7795 32.0780 62.5527 4.4307 5.7724 11.5194 115.2044 45.0686 74.9304 6.5751 575.5044 25.1532 3.4444 1.3480 2.1397 0.0117 106.2107 2.4915 16.7757 1.5446 2.6961 3.0486 70.9074 6.6896 12.9730 2.6670 496.2376 22.3147 86.8094 449.6532 342.4029 728.2433 100.9773 28.3315 24.8177 14.0415 37.7472 7.9189 2.2749 63.0773 4.2424 13.6823 22.6783 56.7754 4.7414 28.0649 12.2925 43.9420 4.9110 85.5135 15.0704 35.6721 26.2006 24.2798 4.7945 15.3731 68.1887 11.0486 1.7475 0.2875 2.2666 0.0035 0.0043 0.9417 188.4713 31.5035 0.2551 1.9800 1.3653 2.6803 1.4958 0.8835 1.6005 0.2793 0.9915 0.3994 2.0936 0.7726 0.3862 1.4937 1.2125 1.6178 0.9429 1.3896 0.5740 0.0914 1.6273 1.0955 0.3927 0.4290 0.1763 0.0864 0.5600 3.2810 1.7106 1.9142 0.7998 4.6263 2.1787 0.3472 1.0638 2.3838 0.2464 2.9221 0.3617 1.1174 1.9216 1.7451 3.9394 4.1085 3.9649 3.2502 0.5119 5.6787 1.8061 7.2599 1.8854 3.2417 3.3471 1.3157 3.1482 3.0954 0.9597 5.2005 1.8067 5.6267 0.8938 1.8773 1.1228 9.1419 6.9159 5.4192 15.8535 1.6283 1.7853 3.8273 3.2729 3.4988 1.5175 3.9228 3.4129 2.2548 3.1199 7.8111 14.6949 2.8783 1.4033 17.6046 1.0951 4.1734 9.4745 4.2502 4.4433 2.4418 5.4819 4.0476 10.5856 3.9738 2.6026 2.4051 6.2430 4.4041 8.6807 13.5983 5.5857 13.7705 5.1307 5.2251 21.6032 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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 6624.9141 22827.8864 24879.0290 1.00000 -0.00003 -0.00259 0.00001 0.99997 -0.00779 0.00259 0.00779 0.99997 1 0.01307 0.00379 0.00348 0.27242 0.07906 0.07254 16.66 24.70 32.50 54.65 54.81 65.75 78.51 80.66 95.50 101.61 128.19 144.51 182.56 185.88 207.80 253.99 267.29 294.14 311.45 358.49 372.71 375.95 388.68 394.79 410.34 427.85 453.74 478.97 489.95 519.36 526.16 577.51 602.34 620.97 649.76 672.67 676.13 697.56 716.58 741.76 769.17 770.85 778.78 808.28 820.31 872.57 891.65 906.74 969.07 986.12 991.23 1038.88 1051.95 1073.88 1126.62 1170.63 1184.88 1200.06 1210.46 1228.61 1238.11 1272.20 1279.77 1301.97 1329.80 1349.99 1359.51 1369.79 1396.34 1408.52 1419.97 1448.45 1455.32 1470.24 1486.60 1500.94 1506.38 1510.56 1517.51 1531.72 1545.49 1574.66 1607.27 1614.90 1624.74 1638.84 1662.96 1666.06 1698.07 1711.89 1726.79 1757.84 1777.99 1791.49 1795.15 1815.71 1824.28 1858.25 1874.51 1880.86 1900.25 1901.89 1904.27 1912.05 1937.43 1950.17 1955.86 1994.16 1998.29 2018.86 2024.81 2062.64 2070.93 2074.55 2093.83 2097.16 2118.85 2123.38 2131.69 2133.17 2139.08 2151.14 2176.13 2189.63 2202.83 2208.78 2223.54 2233.07 2241.78 2247.77 2251.51 2268.34 2271.29 2279.29 2295.20 2305.79 2341.27 2344.88 2346.52 2350.25 2357.03 2363.15 2363.72 2367.47 2368.49 2370.17 2375.24 2389.44 2405.63 2480.98 2510.21 2546.94 2658.75 2760.02 2844.79 2937.53 4584.23 4601.09 4602.94 4607.06 4610.88 4613.62 4623.38 4630.62 4636.14 4638.74 4662.71 4686.60 4686.95 4687.37 4697.24 4699.58 4701.21 4708.72 4709.11 4711.61 4723.33 4734.63 4738.10 4739.28 4757.45 4787.15 4825.83 4879.02 4892.53 4909.54 4918.62 5541.23 5609.62 0.599974 0.628400 0.629345 0.537049 -1407.585147 -1407.556720 -1407.555776 -1407.648072 3.095623D-04 MUNgauss RevisionA2.0 retrievium 27-Jan-2021 DUDE CC(C)C[C@@H](C(=O)NC1CCCC1)N2C(=O)[C@@]3([C@H]4C(=c5ccccc5=[NH+]4)CCN3C2=O)C C63374517 RHF 6-31G(d) (6D,10F) C1 437.255266 |X|Y|Z| 51.517702 37.928833 106.713964 59.299232 24 6 7 20 4 |36.858105| |12.435432|36.858105| |7.560194|12.431696|36.858105| |7.608185|12.395740|7.452026|36.858105| |4.864411|7.333213|6.126984|12.392842|36.858105| |4.454892|6.584516|6.715134|8.851147|17.619287|0.500000| |3.730426|4.775706|4.156341|7.303149|12.338078|0.250132|36.858105| |3.140497|3.906430|3.480040|5.267451|8.003637|0.181888|15.807881|73.516695| |3.572289|4.252564|3.770837|6.398480|7.763728|0.188034|14.250732|15.095385|53.358707| |2.856193|3.224512|2.930244|4.343914|4.964059|0.126982|7.762132|12.060593|17.802163|36.858105| |2.610062|2.847781|2.678506|3.642720|3.903608|0.106052|5.129527|8.005886|10.447446|12.446849|36.858105| |2.228961|2.374872|2.223238|2.920826|3.078011|0.082519|3.907263|6.570410|6.936994|7.847108|12.345942|36.858105| |2.257586|2.403119|2.188028|2.977612|3.138745|0.081033|4.087105|7.152247|6.925067|7.930639|7.699502|12.258483|36.858105| |2.706552|2.936931|2.590250|3.839132|4.077136|0.100612|5.735414|9.682574|10.287053|12.447459|7.938162|7.741541|12.406622|36.858105| |4.302090|6.323583|5.382144|7.589211|13.048610|0.261070|7.917360|13.100209|7.128321|3.922739|3.131902|2.617114|2.735702|3.441379|53.358707| |3.470729|4.775268|4.670363|5.149356|7.735526|0.212421|5.933204|10.980747|5.796254|3.414267|2.815777|2.389081|2.459114|2.964834|19.071235|36.858105| |3.218325|4.341595|4.689652|4.571916|6.579533|0.216741|5.228444|9.330676|5.459772|3.260664|2.783113|2.340691|2.344429|2.758143|11.322467|15.982957|73.516695| |2.955550|3.775805|3.576169|3.947969|5.144726|0.133672|4.543486|9.141181|4.692076|2.946970|2.443307|2.153677|2.267669|2.687221|11.126678|12.479204|14.023022|36.858105| |2.746058|3.400813|3.348368|3.297799|3.922136|0.106184|3.393628|6.464168|3.741399|2.393756|2.060032|1.839635|1.916387|2.214753|7.489025|7.387916|10.865046|12.202192|36.858105| |2.388060|2.861486|2.811694|2.818515|3.301624|0.089424|2.998595|5.828571|3.374040|2.216120|1.918768|1.739559|1.819937|2.074023|5.942134|5.534238|8.619722|8.814361|17.501069|0.500000| |2.978052|3.611262|3.440865|3.324199|3.677447|0.096831|3.107410|5.721183|3.500272|2.231972|1.935864|1.738427|1.821032|2.110125|6.841098|5.647928|8.293729|7.471418|12.688092|0.251585|36.858105| |3.024849|3.625011|3.640408|3.164917|3.383338|0.092188|2.800968|5.002105|3.236050|2.058893|1.822916|1.631475|1.684612|1.932727|5.894316|4.828604|7.738716|5.400806|8.199603|0.177403|14.084152|36.858105| |3.038398|3.451466|3.467172|2.905701|2.941527|0.080053|2.452191|4.299637|2.914078|1.866686|1.677828|1.510898|1.556204|1.772326|4.815032|3.694131|6.077503|3.906478|5.072796|0.121571|7.429094|13.193227|36.858105| |2.880313|3.209708|3.403094|2.674468|2.682227|0.074906|2.243282|3.890972|2.713711|1.745059|1.593289|1.433300|1.459276|1.645607|4.207370|3.253200|5.611526|3.286296|4.103109|0.100620|5.142711|7.962721|14.212591|36.858105| |2.725436|3.108751|3.484228|2.632217|2.708818|0.078015|2.264316|3.925788|2.741250|1.761938|1.618744|1.447729|1.458460|1.636348|4.201221|3.383505|6.129850|3.318336|4.156402|0.101608|4.656811|6.887042|7.859287|13.148583|36.858105| |2.698451|3.198806|3.623663|2.787274|2.994356|0.087706|2.495356|4.372154|2.971246|1.901930|1.733629|1.541108|1.549972|1.744036|4.758058|4.071117|7.621608|3.974731|5.202147|0.123699|5.297674|7.648881|6.599351|7.700899|14.066957|36.858105| |2.838952|3.464810|3.723200|3.079503|3.412668|0.097474|2.824937|5.043197|3.267526|2.078109|1.854904|1.647713|1.677846|1.910585|5.815943|5.208899|9.170554|5.452924|8.382303|0.179423|8.440371|13.169965|7.626050|6.810251|8.077520|13.443569|36.858105| |2.696780|3.345149|3.532559|3.143241|3.690722|0.105915|3.122952|5.744995|3.530995|2.252232|1.983814|1.758556|1.795306|2.049259|6.533117|6.588158|11.726662|7.445993|13.172980|0.255296|8.269212|8.416784|5.281079|4.653051|5.261579|7.725798|14.501087|53.358707| |2.564839|3.180853|3.451635|3.055397|3.668251|0.109048|3.154358|5.814943|3.586025|2.296854|2.036125|1.796501|1.815092|2.057689|6.232202|6.536980|13.367599|6.667395|8.813597|0.200465|5.844515|5.922634|4.235627|3.954105|4.648786|6.820317|9.287188|25.970318|0.500000| |2.948324|3.444922|3.091504|3.254031|3.487693|0.088095|3.054008|5.684225|3.464580|2.236591|1.922184|1.748815|1.866975|2.175708|6.343045|4.691470|6.736425|6.199500|7.344141|0.182323|12.708545|7.327420|5.722491|4.103920|3.570084|3.789507|5.095931|6.949428|0.114191|36.858105| |2.877450|3.401251|2.981292|3.459314|3.879180|0.094759|3.571858|6.981628|3.938560|2.559933|2.139083|1.952232|2.124182|2.513334|7.279225|5.227278|7.124490|7.583664|6.786955|0.175958|7.648777|5.022466|4.017279|3.172160|2.920088|3.179082|4.129597|6.185654|0.108067|12.333048|36.858105| |3.204892|4.027005|3.517200|4.292789|5.287995|0.125333|4.750721|9.536811|4.885354|3.062458|2.490747|2.217103|2.397102|2.905898|11.611706|8.258917|9.778967|13.160980|7.764576|0.177885|7.124079|4.956464|3.832843|3.134821|3.004743|3.383079|4.433192|7.053854|0.126746|7.762891|13.174470|53.358707| |4.010819|5.310277|4.248856|6.068505|7.580046|0.158475|6.239733|11.509545|6.082505|3.587659|2.849285|2.475808|2.682599|3.384376|18.602333|8.378724|9.877652|8.168469|5.554284|0.126727|5.520700|4.377721|3.609101|3.028825|2.896800|3.188100|3.967635|5.945753|0.110603|5.889542|7.754953|18.919511|36.858105| |4.344529|5.364231|3.996184|6.234969|6.469761|0.134237|5.670354|9.932870|5.974904|3.575135|2.847485|2.507406|2.771331|3.551647|11.266830|5.583381|7.487059|5.477575|4.271599|0.102439|4.542870|3.769816|3.312988|2.801507|2.620421|2.786359|3.337239|4.780667|0.089479|5.242032|6.622703|11.357644|16.041771|73.516695| |2.456755|3.011815|2.905061|3.255866|4.219692|0.112932|4.196231|9.107501|4.459786|2.945736|2.441978|2.188791|2.310656|2.678705|7.662613|7.665311|11.300857|12.435882|7.463578|0.206961|4.991328|3.948454|3.056013|2.676032|2.750350|3.266080|4.150317|7.619473|0.156729|4.504199|5.661281|10.466253|5.580462|7.539740|36.858105| |17.552903|8.775849|6.914412|5.507114|4.012717|0.105511|3.149111|4.867404|4.076610|2.466625|2.281052|1.980031|2.000982|2.348534|5.122700|3.181559|5.311052|2.774800|2.673098|0.064782|2.963223|3.106525|3.246126|3.137524|2.917888|2.802903|2.887059|3.628109|0.069870|2.907647|2.740008|4.043157|3.562889|6.729129|2.304995|0.500000| |17.557096|8.757361|5.486041|6.971930|4.558228|0.111003|3.682249|5.588493|4.820023|2.880664|2.600154|2.257007|2.334275|2.824262|5.619217|3.279624|5.280289|2.886432|2.657000|0.064896|2.911458|2.882949|2.896762|2.688619|2.500630|2.475375|2.647374|3.457570|0.066661|2.997172|2.970839|4.416436|4.105623|8.427942|2.416122|0.301697|0.500000| |17.532587|8.761366|6.833138|6.854407|4.497364|0.118576|3.597403|5.314323|4.925292|2.911190|2.740664|2.320157|2.306400|2.736080|5.151021|3.130793|5.306105|2.651206|2.452081|0.059977|2.592657|2.634965|2.633495|2.546348|2.462662|2.451506|2.536546|3.317551|0.065524|2.549178|2.523901|3.835543|3.457278|6.559018|2.265668|0.302034|0.301334|0.500000| |8.951410|17.527261|8.900028|8.907598|6.730832|0.161848|4.500893|6.908689|5.213601|2.989741|2.598143|2.213580|2.279522|2.776959|9.641231|5.272734|8.052673|4.322222|3.956849|0.090452|4.417983|4.393834|4.150676|3.692854|3.458486|3.546431|3.989815|5.152199|0.096598|4.237799|4.057069|6.500034|6.395452|11.386170|3.282464|0.214178|0.213926|0.173829|0.500000| |6.784322|8.763863|17.527832|6.787172|5.543471|0.176111|4.023890|5.888978|5.258103|3.010607|2.838664|2.323322|2.238478|2.623485|6.157043|3.997632|7.362316|3.106206|2.881179|0.068837|2.899312|3.032952|2.907794|2.897856|3.004013|3.120236|3.144332|4.140197|0.084448|2.647456|2.602160|4.142609|3.628296|6.172923|2.630959|0.167976|0.139007|0.200559|0.173360|0.500000| |5.473307|8.694398|17.550570|6.668148|6.727173|0.227093|4.427325|6.709924|5.238010|2.987584|2.696378|2.231206|2.192891|2.590143|8.495237|5.818164|11.010654|4.153844|3.867669|0.088268|3.811775|4.037573|3.657358|3.577334|3.811632|4.183470|4.354400|5.748916|0.116851|3.279981|3.176721|5.263122|4.558641|7.168326|3.318307|0.141431|0.122225|0.138925|0.212517|0.301586|0.500000| |6.993673|8.794335|17.547168|5.451620|4.629181|0.136882|3.388710|5.240513|4.233616|2.514569|2.329162|1.977749|1.952631|2.271479|5.990231|4.004976|7.164433|3.249452|3.197194|0.075165|3.392751|3.754652|3.757073|3.825679|3.891160|3.862835|3.804147|4.681688|0.092056|3.025264|2.813665|4.349820|3.706907|6.280758|2.650711|0.210712|0.142036|0.172091|0.211971|0.302367|0.302278|0.500000| |6.996899|8.924225|6.861244|17.524678|8.936313|0.220090|6.627969|8.385300|9.377211|4.620614|4.079809|3.162542|3.116045|3.966793|7.614634|4.255348|7.147807|3.325755|2.837644|0.068718|2.823261|2.735472|2.550365|2.404488|2.399126|2.527185|2.716129|3.767937|0.076156|2.747795|2.902361|4.764853|4.582909|8.340100|2.868643|0.142008|0.172758|0.207430|0.175117|0.204514|0.165648|0.141105|0.500000| |7.119573|8.853860|5.474893|17.618973|8.843057|0.174336|6.848402|9.251494|8.399321|4.402727|3.605907|2.976993|3.148378|4.175166|9.033222|4.532776|6.938757|3.751037|3.125481|0.075470|3.214438|2.992680|2.776342|2.517141|2.425636|2.537931|2.828848|3.930491|0.077020|3.300383|3.594315|5.906817|6.307829|13.309953|3.134460|0.143951|0.215789|0.173879|0.213944|0.140031|0.137672|0.123143|0.302987|0.500000| |4.024002|4.686136|4.133950|7.280943|7.406395|0.186145|9.438971|10.874212|26.097708|9.040143|7.252084|4.777170|4.564048|6.324165|6.567811|3.902480|6.643876|3.145689|2.589244|0.064551|2.471007|2.327924|2.130331|2.002436|2.019942|2.164807|2.345617|3.381043|0.069811|2.436902|2.697368|4.459195|4.100847|7.338234|2.920692|0.091610|0.109341|0.117361|0.111658|0.121999|0.112955|0.093427|0.254025|0.188280|0.500000| |2.591171|2.968151|2.754907|3.859179|4.679870|0.122715|7.387324|13.516763|12.644589|17.615785|8.843612|6.784764|6.959361|8.876106|5.319044|3.547915|6.074701|3.100875|2.484499|0.064484|2.266087|2.073220|1.857445|1.733456|1.761779|1.922011|2.112720|3.170153|0.066613|2.256051|2.613014|4.289866|3.567258|6.112729|3.224681|0.063216|0.072116|0.072350|0.078094|0.077632|0.079870|0.066210|0.110002|0.106846|0.182180|0.500000| |2.483268|2.741223|2.666092|3.421292|3.763519|0.107052|4.770311|7.548064|8.970920|8.698101|17.575287|8.627312|5.661615|5.661189|4.137969|2.814398|5.084077|2.416672|2.050675|0.053097|1.905504|1.807599|1.658546|1.586824|1.630051|1.756593|1.865826|2.727453|0.057808|1.863970|2.056024|3.269109|2.703987|4.696394|2.438506|0.060952|0.067500|0.072558|0.069410|0.079260|0.075645|0.064458|0.106533|0.091030|0.174532|0.216930|0.500000| |2.837350|3.025351|2.826725|3.883001|3.909608|0.105959|4.816862|7.190122|9.892687|8.858261|17.498375|8.770793|6.276498|6.840050|4.183089|2.716503|4.765278|2.342423|2.000576|0.051447|1.908362|1.813777|1.687201|1.608699|1.628254|1.728259|1.836096|2.636944|0.054906|1.896995|2.083231|3.277267|2.794035|5.046752|2.287682|0.068174|0.078449|0.084699|0.075119|0.084746|0.077275|0.068117|0.126383|0.106881|0.225091|0.174543|0.302456|0.500000| |2.023569|2.169933|2.065439|2.615680|2.813059|0.076714|3.525488|6.125873|5.924053|6.307572|8.751441|17.577881|8.717298|5.869250|3.326479|2.284560|4.025070|2.076203|1.781598|0.047142|1.668222|1.566817|1.446723|1.376472|1.398115|1.494350|1.594038|2.328288|0.048863|1.668539|1.860448|2.866922|2.305930|4.090333|2.148401|0.050502|0.056523|0.058185|0.056661|0.059782|0.058214|0.051375|0.077690|0.073120|0.111664|0.174368|0.221918|0.176479|0.500000| |2.153740|2.245382|2.108008|2.710411|2.764620|0.074458|3.350130|5.561211|5.821197|5.776653|8.739173|17.587081|8.658609|6.013530|3.214695|2.156166|3.766416|1.951448|1.693041|0.044502|1.616484|1.529306|1.430337|1.363815|1.374622|1.452065|1.540325|2.215560|0.046056|1.628322|1.795933|2.740611|2.245641|4.081878|1.963387|0.053374|0.060688|0.062978|0.057863|0.061674|0.058086|0.052532|0.082453|0.076936|0.117644|0.138002|0.189377|0.226028|0.304380|0.500000| |2.075555|2.229572|2.048112|2.717318|2.938411|0.076330|3.822779|7.060170|6.071181|6.621377|6.055148|8.738908|17.560322|8.814715|3.591400|2.419991|4.103902|2.270956|1.914976|0.051012|1.802642|1.657459|1.522559|1.424849|1.426859|1.523214|1.655036|2.430059|0.050276|1.849685|2.122639|3.247108|2.609188|4.727363|2.368555|0.051629|0.059430|0.058277|0.059564|0.057686|0.057669|0.051074|0.077438|0.079232|0.108535|0.188957|0.137879|0.135172|0.228719|0.179261|0.500000| |2.160201|2.249054|2.037256|2.732724|2.791413|0.071902|3.470264|6.037748|5.693852|5.709847|5.795014|8.634750|17.587345|8.713134|3.358928|2.215794|3.744528|2.068199|1.774109|0.046958|1.707085|1.585015|1.478239|1.387733|1.378874|1.453527|1.567203|2.262050|0.046405|1.764619|1.992522|3.003107|2.459809|4.593610|2.089705|0.053458|0.062691|0.061456|0.059425|0.057865|0.056132|0.051021|0.079362|0.081356|0.108984|0.139687|0.124986|0.147160|0.184144|0.223016|0.303971|0.500000| |2.962351|3.124968|2.695363|4.119926|4.068637|0.099141|5.322481|8.434713|9.652685|8.871035|6.947968|6.513741|8.769190|17.512654|4.596145|2.846645|4.690321|2.567941|2.148320|0.055532|2.086252|1.926119|1.787466|1.661903|1.640917|1.731533|1.887091|2.715655|0.055231|2.163647|2.463369|3.830618|3.346146|6.452368|2.491082|0.070475|0.087320|0.084095|0.080980|0.076266|0.073220|0.065681|0.120658|0.128849|0.186126|0.174675|0.139663|0.196750|0.135799|0.159370|0.174528|0.219691|0.500000| |2.657375|2.910675|2.534900|3.762220|4.087579|0.098401|5.780089|10.693871|8.882746|8.702196|5.647979|5.606020|8.642122|17.584690|4.933031|3.109776|5.019344|2.898301|2.354254|0.061578|2.241248|2.019172|1.838652|1.688643|1.668509|1.782181|1.977026|2.905925|0.059119|2.348935|2.784236|4.374501|3.719722|7.015392|2.914088|0.064460|0.077886|0.072955|0.078414|0.069844|0.070947|0.062118|0.103064|0.116215|0.148145|0.216322|0.124783|0.138583|0.131354|0.127216|0.219717|0.193638|0.301729|0.500000| |3.024626|3.323209|3.201534|2.813892|2.787465|0.074367|2.357097|4.138090|2.820780|1.818387|1.632681|1.481066|1.537278|1.751458|4.517146|3.339315|5.390772|3.582853|4.422068|0.109460|6.563543|8.708245|17.744207|9.022060|5.581863|4.810347|5.488662|5.826670|0.098162|6.021695|4.091405|5.057405|3.528719|5.970031|2.845402|0.090279|0.082071|0.072271|0.111761|0.075369|0.091065|0.095804|0.068512|0.076484|0.057355|0.050015|0.044494|0.045727|0.039268|0.039061|0.041738|0.040812|0.049345|0.050698|0.500000| |2.756255|2.954380|3.110650|2.458492|2.413541|0.067186|2.043557|3.528036|2.509766|1.625675|1.497125|1.354242|1.377371|1.544201|3.688311|2.788442|4.821344|2.799824|3.355220|0.084347|4.106095|5.628960|9.049508|17.756121|8.764795|5.584522|4.925055|5.018333|0.090017|3.526346|2.791603|3.715410|2.678338|4.512612|2.335718|0.084985|0.071818|0.068165|0.092720|0.074960|0.088169|0.098565|0.062173|0.064868|0.051776|0.044636|0.041342|0.042192|0.036097|0.036002|0.037280|0.036591|0.043548|0.043874|0.215383|0.500000| |2.537015|2.824410|3.218824|2.403538|2.446109|0.071066|2.070122|3.570895|2.546517|1.648637|1.533149|1.374827|1.375960|1.531006|3.679937|2.927867|5.396048|2.831270|3.401130|0.085240|3.688257|4.960829|5.655567|8.793919|17.723285|9.097740|5.703248|5.718564|0.108612|2.976065|2.509029|3.518542|2.525773|4.120145|2.418530|0.076012|0.064400|0.064765|0.084870|0.079143|0.096168|0.101145|0.061977|0.061512|0.052441|0.045698|0.043049|0.042971|0.036958|0.036437|0.037351|0.036231|0.042721|0.043095|0.123974|0.215648|0.500000| |2.501596|2.953539|3.425085|2.630936|2.862108|0.085787|2.420516|4.242923|2.908733|1.873577|1.723399|1.529985|1.524957|1.702378|4.424864|3.845615|7.588389|3.660190|4.548985|0.111625|4.298405|5.492258|4.811392|5.516084|8.946480|17.756484|8.757206|9.254329|0.192729|3.223848|2.829690|4.166161|2.904367|4.516560|3.144740|0.071508|0.063510|0.064357|0.088153|0.084288|0.111243|0.099983|0.067463|0.066078|0.058835|0.052873|0.048972|0.047576|0.041445|0.040039|0.041711|0.039614|0.046720|0.048036|0.105141|0.123106|0.216731|0.500000| |3.319108|3.804268|3.301248|3.471314|3.537006|0.088224|3.032326|5.478251|3.485442|2.230022|1.926164|1.748551|1.866418|2.186291|6.235871|4.311600|6.267720|5.095087|5.612390|0.136080|9.012243|6.759665|6.062233|4.281908|3.569397|3.629070|4.635168|5.966053|0.100641|17.568396|8.756850|8.849075|5.824073|10.017531|3.779167|0.091954|0.095081|0.077914|0.134513|0.077653|0.094467|0.090867|0.080603|0.099267|0.069145|0.061488|0.051568|0.053408|0.045986|0.045509|0.050853|0.049317|0.061333|0.065174|0.193020|0.104423|0.083211|0.085317|0.500000| |2.563664|2.900038|2.653520|2.748888|2.913406|0.074805|2.623516|4.905798|3.044944|2.005606|1.744721|1.607178|1.715861|1.968312|5.034308|3.786243|5.693094|4.894152|5.974944|0.167095|8.950056|6.236491|5.298426|3.882806|3.345035|3.480096|4.494889|6.048682|0.101428|17.523150|8.724449|7.718253|4.471745|7.372496|3.933553|0.071034|0.072614|0.062509|0.095947|0.064311|0.077573|0.073089|0.066055|0.077704|0.059613|0.056385|0.047091|0.047770|0.042821|0.041753|0.047475|0.045334|0.054294|0.058970|0.161111|0.094727|0.078501|0.082970|0.303052|0.500000| |2.925444|3.356081|2.850987|3.466061|3.734552|0.089310|3.523158|6.814863|3.957457|2.595553|2.160377|1.990411|2.199818|2.621187|6.609469|4.407675|6.167133|5.616381|4.942426|0.129639|5.623251|4.140345|3.556129|2.865361|2.609702|2.769879|3.439387|4.982516|0.089616|8.761457|17.674655|12.585586|7.335731|13.278267|4.560107|0.076787|0.086304|0.071138|0.110319|0.069830|0.082165|0.074671|0.080864|0.104114|0.075539|0.072659|0.056922|0.058726|0.052285|0.051025|0.060833|0.057847|0.072114|0.081699|0.103857|0.071764|0.063321|0.069097|0.222489|0.196825|0.500000| |2.483079|2.887369|2.606296|2.968447|3.366723|0.084371|3.226004|6.471829|3.614844|2.411700|2.028539|1.874785|2.042353|2.373395|6.034564|4.600329|6.557770|6.899968|6.421328|0.190904|6.420728|4.415881|3.555637|2.882755|2.702894|2.968636|3.806365|5.878367|0.104792|8.745768|17.592908|12.553221|5.785423|8.933249|6.058115|0.066001|0.070807|0.061689|0.092498|0.064359|0.077574|0.068636|0.071066|0.084966|0.068248|0.069490|0.054459|0.054355|0.050139|0.047825|0.057454|0.053210|0.063773|0.073303|0.099588|0.070922|0.065165|0.074630|0.174310|0.221057|0.303195|0.500000| |2.478484|3.031226|2.879270|3.427124|4.583065|0.120410|4.957404|11.808844|5.140897|3.438094|2.765284|2.470700|2.634921|3.091042|7.917377|7.177577|10.648547|8.860741|5.461801|0.146784|4.115218|3.367699|2.712151|2.405434|2.460643|2.859347|3.491437|6.018607|0.125751|3.910320|5.044892|9.540265|5.704304|7.844743|17.612887|0.063593|0.068159|0.064124|0.089789|0.073609|0.090328|0.071771|0.084519|0.092463|0.090586|0.107590|0.076372|0.070714|0.067440|0.060629|0.075729|0.065205|0.078094|0.094706|0.071136|0.059198|0.060984|0.077151|0.095021|0.095150|0.120915|0.145776|0.500000| |2.247311|2.679943|2.559528|2.855944|3.517027|0.092985|3.538168|7.570040|3.896984|2.639741|2.213131|2.026636|2.163293|2.473573|6.164005|5.548708|8.402455|8.814995|6.794980|0.219318|4.846508|3.758845|2.952777|2.563290|2.590588|3.016746|3.807497|6.711933|0.132968|4.627677|5.990436|9.429717|4.854703|6.936726|17.567913|0.059110|0.062128|0.057530|0.081617|0.064650|0.079371|0.066017|0.070382|0.078073|0.071562|0.079783|0.060957|0.057751|0.055404|0.050822|0.062062|0.054963|0.064131|0.075479|0.077663|0.062622|0.063447|0.080025|0.104847|0.117193|0.132859|0.201738|0.300556|0.500000| |2.307097|2.814688|2.817110|2.994503|3.842532|0.108115|3.776644|7.878309|4.140510|2.754713|2.341914|2.094860|2.167379|2.464545|6.580684|6.850192|11.879407|8.793155|6.838402|0.194134|4.494304|3.784368|2.942719|2.645557|2.802521|3.411118|4.241482|8.108972|0.183521|3.858247|4.433621|7.606440|4.473931|6.276624|17.572475|0.060633|0.062187|0.059739|0.083796|0.071592|0.090692|0.071888|0.074857|0.078535|0.076188|0.084126|0.066129|0.060899|0.057703|0.052385|0.061744|0.054428|0.063690|0.072977|0.074790|0.064017|0.068971|0.094025|0.091693|0.096061|0.102101|0.130379|0.300463|0.300011|0.500000| 1406.635515 -10192.242815 4106.027981 -193.052755 -4872.632075 3464.446903 -1408.185172 2.001102 40E4467FFFFFFFE3 44803A11E62B0EE5 4401AD48E0977C13 4248C2777C938004 C05C3FFFFFFFFFFF 43CBF97F40A1E0EE