Version2.0 2019-11-15T23:24:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@]12[C@@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN1C(=O)N(C2=O)c5ccccc5C(=O)NC[C@@H]6CCCO6 C63362474 RHF 6-31G(d) (6D,7F) C[C@@]12[C@@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN1C(=O)N(C2=O)c5ccccc5C(=O)NC[C@@H]6CCCO6 C01[X(C27H29N4O5)] 189 C1 598 COc1ccc2=[NH+][C@H]3C(=c2c1)CCN1[C@]3(C)C(=O)N(C1=O)c1ccccc1C(=O)NC[C@@H]1CCCO1 COc1ccc2=[NH+][C@H]3C(=c2c1)CCN1[C@]3(C)C(=O)N(C1=O)c1ccccc1C(=O)NC[C@@H]1CCCO1 COC1=CC2=C3CCN4C(=O)N(C(=O)[C@]4(C)[C@H]3[NH+]=C2C=C1)c5ccccc5C(=O)NC[C@@H]6CCCO6 InChIKey=SVGZEOZKXLADEP-IPZQTHRPSA-O InChI=1S/C27H28N4O5/c1-27-23-18(20-14-16(35-2)9-10-21(20)29-23)11-12-30(27)26(34)31(25(27)33)22-8-4-3-7-19(22)24(32)28-15-17-6-5-13-36-17/h3-4,7-10,14,17,23H,5-6,11-13,15H2,1-2H3,(H,28,32)/p+1/t17-,23-,27-/m0/s1 InChI=1/C27H28N4O5/c1-27-23-18(20-14-16(35-2)9-10-21(20)29-23)11-12-30(27)26(34)31(25(27)33)22-8-4-3-7-19(22)24(32)28-15-17-6-5-13-36-17/h3-4,7-10,14,17,23H,5-6,11-13,15H2,1-2H3,(H,28,32)/p+1/t17-,23-,27-/m0/s1/fC27H29N4O5/h28-29H/q+1 C[C@@]12[C@@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN1C(=O)N(C2=O)c5ccccc5C(=O)NC[C@@H]6CCCO6 C01[X(C27H29N4O5)] 189 C01 598 COc1ccc2=[NH+][C@H]3C(=c2c1)CCN1[C@]3(C)C(=O)N(C1=O)c1ccccc1C(=O)NC[C@@H]1CCCO1 COC1=CC2=C3CCN4[C@]([C@H]3N[C@H]2C=C1)(C)C(=O)N(C4=O)c1ccccc1[C@@H](NC[C@@H]1CCCO1)O COC1=CC2=C3CCN4C(=O)N(C(=O)[C@]4(C)[C@H]3N[C@H]2C=C1)c5ccccc5[C@H](O)NC[C@@H]6CCCO6 InChIKey=FBNJPHPRAMPBMO-FMPQKLDVSA-N InChI=1S/C27H32N4O5/c1-27-23-18(20-14-16(35-2)9-10-21(20)29-23)11-12-30(27)26(34)31(25(27)33)22-8-4-3-7-19(22)24(32)28-15-17-6-5-13-36-17/h3-4,7-10,14,17,21,23-24,28-29,32H,5-6,11-13,15H2,1-2H3/t17-,21-,23-,24-,27-/m0/s1 InChI=1/C27H32N4O5/c1-27-23-18(20-14-16(35-2)9-10-21(20)29-23)11-12-30(27)26(34)31(25(27)33)22-8-4-3-7-19(22)24(32)28-15-17-6-5-13-36-17/h3-4,7-10,14,17,21,23-24,28-29,32H,5-6,11-13,15H2,1-2H3/t17-,21-,23-,24-,27-/m0/s1 3960.0115286930 -1631.3123009 1-A 20575.9898 129 469 598 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.71310 -20.65650 -20.63529 -20.63044 -20.61481 -15.76502 -15.71501 -15.70544 -15.66783 -11.48933 -11.47552 -11.47160 -11.44467 -11.44084 -11.42722 -11.42089 -11.42034 -11.40999 -11.39393 -11.39012 -11.38683 -11.38668 -11.37583 -11.37268 -11.37188 -11.35401 -11.34049 -11.33987 -11.33867 -11.33787 -11.32879 -11.32521 -11.32299 -11.32089 -11.29859 -11.29245 -1.54607 -1.54244 -1.51181 -1.47931 -1.47354 -1.46053 -1.41885 -1.35828 -1.32217 -1.29160 -1.25752 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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| 11.1111 18.9525 24.8497 39.6107 45.0914 47.3307 57.2615 66.7780 76.7941 84.8680 96.3036 108.4742 131.1268 140.1899 156.3702 158.6552 171.9133 180.4055 195.0077 222.7586 235.8655 251.7055 260.1298 263.0176 271.9834 287.6868 296.2694 302.8768 314.9350 318.9567 344.8186 347.7449 385.9300 411.7419 439.4328 446.0485 452.0479 465.1597 496.2564 502.6447 513.9394 526.9769 539.9372 565.2671 569.6724 598.0233 611.4422 617.7294 627.7355 647.7401 662.3974 663.3386 693.9389 702.6117 723.7452 740.1694 753.5710 764.5547 782.5978 808.0505 813.4571 830.6231 842.6522 861.6968 864.9269 870.5146 885.4335 893.5903 896.9250 933.9993 935.1808 950.3640 958.8267 967.5441 974.3196 990.7446 996.3650 1003.3217 1007.1177 1040.6354 1049.9877 1060.1940 1081.3502 1092.8227 1095.4233 1120.1224 1127.3727 1134.8214 1136.8624 1137.8075 1147.4633 1154.7557 1171.2378 1184.6924 1201.2268 1216.4770 1229.0924 1247.4544 1250.3803 1256.5182 1270.4080 1271.3139 1280.4079 1284.4244 1293.5489 1297.0545 1313.8562 1318.8386 1326.5718 1329.7810 1334.7508 1336.2768 1362.5767 1375.0587 1382.1451 1391.0997 1408.3616 1417.7025 1421.9064 1426.9115 1449.2672 1454.3887 1456.4726 1467.8964 1469.0065 1474.8840 1487.0105 1500.8824 1507.8303 1526.1782 1548.6801 1551.0000 1566.9523 1574.6977 1577.2737 1584.0501 1585.3676 1616.8998 1620.2558 1629.5715 1634.4614 1636.6501 1640.8412 1647.6656 1650.5196 1651.3772 1652.4719 1653.4234 1671.4699 1672.2165 1682.8364 1734.4414 1751.6632 1778.6061 1790.2444 1807.2086 1858.3882 1870.5676 1992.4431 2052.6878 3210.4951 3214.8908 3222.6992 3225.4059 3226.5550 3230.6515 3230.9462 3239.5352 3245.1419 3252.0828 3271.5486 3290.4247 3293.8485 3294.0410 3300.8297 3302.8172 3314.1000 3324.8510 3347.8997 3362.9519 3378.7231 3388.9204 3398.2294 3400.7830 3407.2440 3415.4058 3425.7049 3848.2437 3885.9915 4.4869 5.6112 4.1733 4.0034 4.2255 4.3129 4.3212 4.7069 7.5093 4.8443 4.5076 5.2255 6.5048 4.8065 4.9021 6.6930 3.7094 3.0263 3.6631 2.8313 1.3627 2.6660 1.9386 1.8633 2.6102 3.3510 2.7406 3.0133 3.7192 4.3400 5.3558 5.8434 4.5795 5.7023 5.1203 3.7572 4.9635 3.2892 4.1229 4.2975 4.1367 4.9757 3.1885 4.0529 4.9180 2.9029 3.4165 3.9922 2.4961 1.8921 1.1729 1.9026 5.6557 6.1760 5.5616 3.8015 4.4947 5.5485 4.2762 2.9261 4.6568 6.9996 3.2748 2.3490 2.7401 3.7966 4.9746 3.5872 3.4465 1.6423 1.7468 1.5325 2.7038 2.0231 4.3899 2.5447 2.4172 2.2733 2.0199 2.9899 1.9121 2.3044 1.6791 2.0687 1.5176 3.0162 2.8392 2.1213 1.3346 1.4176 2.9351 3.3044 2.0971 2.8053 2.5711 2.8325 2.4724 2.2342 2.9519 1.8419 2.2024 1.9458 3.2920 2.7907 1.2678 3.1490 2.0418 1.3444 1.4222 1.6870 1.4442 1.4021 2.5411 1.5960 1.1875 1.2182 2.1730 1.8302 1.7627 1.6401 1.7791 2.6815 1.3419 1.8568 1.4220 1.5900 1.3840 1.3577 2.0449 1.7510 1.4075 3.5153 1.3826 1.6114 3.3545 2.4894 2.3572 1.2269 2.2752 1.2469 1.0874 1.0993 1.0767 1.0464 1.0953 1.0898 1.0567 1.1058 2.9293 3.1525 1.1117 2.3071 5.8743 5.6410 6.3957 5.9257 6.3557 8.5267 12.5870 12.5680 1.0721 1.0749 1.0340 1.0662 1.0735 1.0384 1.0683 1.0709 1.0847 1.0703 1.1034 1.1009 1.1086 1.1007 1.1028 1.1012 1.0960 1.1038 1.0992 1.1031 1.0885 1.0919 1.0952 1.0906 1.0990 1.0992 1.0933 1.0823 1.0787 0.0003 0.0012 0.0015 0.0037 0.0051 0.0057 0.0083 0.0124 0.0261 0.0206 0.0246 0.0362 0.0659 0.0557 0.0706 0.0993 0.0646 0.0580 0.0821 0.0828 0.0447 0.0995 0.0773 0.0759 0.1138 0.1634 0.1417 0.1629 0.2173 0.2601 0.3752 0.4163 0.4019 0.5696 0.5826 0.4404 0.5976 0.4193 0.5982 0.6397 0.6438 0.8141 0.5477 0.7630 0.9403 0.6117 0.7526 0.8976 0.5795 0.4677 0.3032 0.4933 1.6046 1.7963 1.7164 1.2271 1.5038 1.9109 1.5431 1.1257 1.8156 2.8453 1.3700 1.0277 1.2078 1.6951 2.2978 1.6876 1.6336 0.8441 0.9001 0.8155 1.4646 1.1159 2.4553 1.4716 1.4138 1.3483 1.2071 1.9077 1.2421 1.5261 1.1568 1.4556 1.0730 2.2297 2.1261 1.6096 1.0163 1.0813 2.2769 2.5961 1.6950 2.3198 2.1859 2.4696 2.2006 2.0484 2.7192 1.7134 2.0943 1.8529 3.1798 2.7126 1.2499 3.1213 2.0766 1.3778 1.4746 1.7577 1.5159 1.4751 2.7796 1.7780 1.3365 1.3890 2.5394 2.1673 2.0998 1.9675 2.2017 3.3419 1.6771 2.3573 1.8080 2.0378 1.8030 1.8020 2.7392 2.4030 1.9890 4.9824 2.0002 2.3542 4.9169 3.6803 3.4906 1.8899 3.5192 1.9509 1.7116 1.7350 1.7079 1.6738 1.7580 1.7510 1.7001 1.7811 4.8217 5.1938 1.8550 4.0892 10.6195 10.5140 12.0770 11.4027 12.9327 17.5783 29.4405 31.2006 6.5108 6.5454 6.3271 6.5351 6.5848 6.3856 6.5708 6.6214 6.7300 6.6694 6.9582 7.0228 7.0868 7.0367 7.0790 7.0779 7.0921 7.1895 7.2586 7.3500 7.3210 7.3882 7.4519 7.4316 7.5171 7.5547 7.5593 9.4431 9.5977 0.1310 0.5288 0.1138 0.3475 1.3581 0.0936 0.6736 3.1919 8.3569 6.6403 3.6642 2.5657 2.4407 11.0793 0.9781 8.5684 0.4387 1.9757 1.1704 2.0373 0.2473 1.6365 3.5758 1.0522 4.7543 3.0184 2.1586 4.3858 7.8543 7.0449 3.4284 7.2647 4.7943 25.1543 11.6507 2.0452 4.6688 11.4974 1.9051 14.9837 13.3473 19.7826 3.0573 8.5865 8.5654 18.4845 7.4536 2.9338 31.8320 6.2944 82.1317 42.4954 33.4960 5.7482 12.4982 9.6818 8.6998 6.6423 2.7769 15.3839 6.1959 5.2987 40.2455 22.3748 8.2538 29.6663 38.8059 4.6437 30.4758 63.1437 4.1087 32.9287 17.5185 5.9855 31.7330 3.0681 7.8127 3.5716 2.3671 4.1653 5.3863 32.0229 0.1807 2.4928 0.5280 13.5231 7.9555 3.8152 0.1238 1.4577 22.4238 45.2439 6.0333 10.1557 31.3710 8.2660 2.8298 22.0558 181.3563 8.6331 121.4143 16.8063 40.2574 1.8073 3.6733 52.6421 74.9057 5.8341 12.8869 5.2679 3.0004 14.2573 37.9707 100.4749 10.2857 18.4487 241.4536 69.7116 86.8982 58.4410 32.7305 44.7210 5.6975 64.6728 0.2097 56.4331 9.4370 9.3770 114.4047 49.7869 19.5696 156.1417 47.2416 66.2233 249.7416 390.1634 137.7710 48.3546 57.2197 15.4126 7.0973 4.0128 13.2746 9.3197 23.6716 5.8302 37.6938 3.8128 337.9376 74.3008 5.2181 630.5489 6.5773 37.6498 538.6036 46.0938 108.7911 502.5343 887.4929 138.3993 65.6420 8.5520 25.6885 3.6198 38.8286 7.2089 55.5761 24.1780 122.5208 26.2600 24.1578 49.3375 34.6100 16.5732 19.0958 48.6269 19.3741 5.9315 0.6093 18.8855 0.4439 5.6497 13.7335 0.0365 8.9911 0.0797 5.2847 190.6760 93.5634 0.7652 2.3819 1.4555 1.4737 0.2026 3.3664 2.0380 0.2591 0.6889 1.6385 0.6927 3.9536 1.6637 3.8112 1.8594 2.0353 0.0748 0.6301 0.5432 0.5028 0.4464 1.0664 0.8061 0.8787 1.1349 1.4684 0.8064 1.3348 1.0571 2.2300 4.5589 1.4844 5.0077 1.0611 5.1449 2.1469 0.8441 0.2754 0.4167 1.5431 2.9077 4.3526 12.1942 0.7036 4.1752 1.2020 2.4690 0.6575 0.4330 1.6202 1.2257 4.1245 8.4844 5.1713 6.0816 6.0084 1.2209 3.7011 0.9251 1.8527 4.5496 0.9700 1.9641 3.5909 1.9703 1.1742 4.9901 3.1375 3.2742 4.2023 0.3357 7.6052 1.9501 4.7628 29.0449 1.1343 5.4013 2.5324 12.2312 32.6802 3.0343 1.6285 3.9531 10.2783 2.4903 2.5720 9.8116 8.6564 2.2479 2.4168 8.9213 24.6664 4.2188 1.2558 5.5544 8.7950 7.9436 1.2820 2.5627 6.2267 6.6482 4.0801 52.3233 37.9625 3.9073 2.5396 15.0766 3.2496 7.1825 5.3945 2.9904 5.0251 61.6104 12.6530 12.1007 9.5808 10.3873 117.7215 19.2601 20.6176 2.3023 13.5053 4.4261 22.2204 2.9280 31.6866 2.9344 2.5870 34.1044 7.7275 7.4765 5.3248 12.6169 9.2604 124.9811 18.0014 6.2167 89.9861 2.3479 23.6824 40.9231 13.1243 12.3828 23.6533 10.1143 15.3830 9.9082 11.1624 180.4932 319.8451 9.5424 2.1032 33.2815 25.5109 20.9614 42.8191 150.1221 13.1975 1.7530 16.4001 79.4978 109.9973 91.6486 114.1943 16.7175 65.0533 47.7553 130.3145 259.2348 67.9434 60.8216 122.2394 24.3700 70.3413 52.6079 91.1213 46.5446 39.0352 79.2120 161.5753 42.0963 97.5856 56.3669 64.2426 272.1285 202.2210 42.1115 47.4893 33.6602 0.7500 0.7482 0.7496 0.7459 0.7159 0.7400 0.7497 0.7277 0.7476 0.7474 0.6576 0.6824 0.7435 0.7119 0.5734 0.5957 0.5493 0.5789 0.5130 0.4595 0.5493 0.6564 0.3352 0.1830 0.2044 0.4633 0.7495 0.2271 0.3800 0.3083 0.3850 0.7330 0.3696 0.7458 0.3637 0.3766 0.1999 0.2504 0.7500 0.6504 0.1815 0.2793 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12.00000 12.00000 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11890.8113 27302.0474 35029.9113 0.99991 0.01179 -0.00572 -0.01177 0.99992 0.00365 0.00576 -0.00358 0.99998 1 0.00728 0.00317 0.00247 0.15178 0.06610 0.05152 15.99 27.27 35.75 56.99 64.88 68.10 82.39 96.08 110.49 122.11 138.56 156.07 188.66 201.70 224.98 228.27 247.34 259.56 280.57 320.50 339.36 362.15 374.27 378.42 391.32 413.92 426.27 435.77 453.12 458.91 496.12 500.33 555.27 592.40 632.25 641.76 650.40 669.26 714.00 723.19 739.44 758.20 776.85 813.29 819.63 860.42 879.73 888.77 903.17 931.95 953.04 954.40 998.42 1010.90 1041.31 1064.94 1084.22 1100.02 1125.98 1162.60 1170.38 1195.08 1212.39 1239.79 1244.44 1252.48 1273.94 1285.68 1290.47 1343.82 1345.52 1367.36 1379.54 1392.08 1401.83 1425.46 1433.55 1443.56 1449.02 1497.24 1510.70 1525.38 1555.82 1572.33 1576.07 1611.61 1622.04 1632.75 1635.69 1637.05 1650.94 1661.44 1685.15 1704.51 1728.30 1750.24 1768.39 1794.81 1799.02 1807.85 1827.83 1829.14 1842.22 1848.00 1861.13 1866.17 1890.35 1897.51 1908.64 1913.26 1920.41 1922.60 1960.44 1978.40 1988.60 2001.48 2026.32 2039.76 2045.81 2053.01 2085.17 2092.54 2095.54 2111.98 2113.57 2122.03 2139.48 2159.44 2169.43 2195.83 2228.21 2231.54 2254.49 2265.64 2269.35 2279.09 2280.99 2326.36 2331.19 2344.59 2351.63 2354.77 2360.80 2370.62 2374.73 2375.96 2377.54 2378.91 2404.87 2405.95 2421.23 2495.47 2520.25 2559.02 2575.76 2600.17 2673.81 2691.33 2866.68 2953.36 4619.19 4625.51 4636.75 4640.64 4642.29 4648.19 4648.61 4660.97 4669.04 4679.02 4707.03 4734.19 4739.11 4739.39 4749.16 4752.02 4768.25 4783.72 4816.88 4838.54 4861.23 4875.90 4889.29 4892.97 4902.26 4914.01 4928.83 5536.76 5591.08 0.576672 0.606075 0.607019 0.513190 -1630.735629 -1630.706226 -1630.705281 -1630.799110 3.147040D-04 MUNgauss RevisionA1.9 retrievium 15-Nov-2019 DUDE C[C@@]12[C@@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN1C(=O)N(C2=O)c5ccccc5C(=O)NC[C@@H]6CCCO6 C63362474 RHF 6-31G(d) (6D,10F) C1 489.213756 |X|Y|Z| 117.127267 74.473542 36.204350 68.098925 30 6 7 8 25 4 1 |36.858105| |12.469546|36.858105| |7.348403|12.215446|36.858105| |5.472665|8.819029|17.542632|0.500000| |5.903565|7.595722|12.758627|0.249597|36.858105| |5.027640|5.475820|8.202454|0.175287|14.071110|36.858105| |3.843046|3.949383|5.072672|0.120511|7.419107|13.179402|36.858105| |3.341846|3.311695|4.104835|0.100076|5.140546|7.967296|14.183298|36.858105| |3.424932|3.336659|4.161855|0.101378|4.657967|6.888541|7.821403|13.048510|36.858105| |4.064327|3.987187|5.203135|0.123436|5.299036|7.643925|6.580193|7.691354|14.157998|36.858105| |5.260109|5.505462|8.413827|0.178700|8.474470|13.184475|7.605331|6.797580|8.074076|13.370093|36.858105| |6.463555|7.495412|13.198837|0.254096|8.296439|8.412874|5.274110|4.650986|5.268459|7.717615|14.544244|53.358707| |5.849293|6.467303|8.830146|0.208032|5.840394|5.894766|4.214230|3.936388|4.634334|6.774871|9.233330|25.961729|0.500000| |2.756429|2.708078|3.199239|0.080409|3.862456|5.193516|7.947552|14.314177|8.229051|5.310858|4.626380|4.784983|0.086311|73.516695| |2.522698|2.502729|2.884882|0.073538|3.554130|4.442755|6.688810|8.039565|5.227119|3.946004|3.742383|4.093083|0.073991|24.024711|36.858105| |4.944983|6.336575|7.443971|0.184354|12.756310|7.299961|5.677369|4.080616|3.558271|3.785281|5.108366|6.993014|0.114546|5.918010|3.281540|36.858105| |5.910046|7.554398|6.462610|0.157590|7.675024|5.188177|4.202519|3.289934|2.997512|3.234813|4.195079|6.137006|0.105840|4.934496|2.736174|12.313380|36.858105| |7.661147|13.209908|7.880403|0.194078|6.900069|4.756218|3.677297|3.015652|2.898825|3.270290|4.293412|6.961648|0.123812|4.502102|2.425870|7.733685|13.191351|53.358707| |5.442339|8.179408|5.813469|0.167041|4.934136|3.690579|2.984788|2.530268|2.464521|2.763931|3.468686|5.638294|0.106431|3.869010|2.098778|5.540045|7.700124|18.957431|36.858105| |4.147168|5.484295|4.450253|0.130565|4.107099|3.183588|2.685395|2.290236|2.201230|2.411701|2.939876|4.576898|0.086954|3.569660|1.969943|4.909144|6.581009|11.332661|16.063453|73.516695| |5.518772|8.199501|5.740718|0.170509|4.364489|3.442012|2.762652|2.412071|2.429639|2.794068|3.463692|5.925141|0.118528|3.685318|1.963543|4.353502|5.281558|11.661607|13.624074|14.703104|53.358707| |7.542591|12.521310|7.692413|0.210860|5.051061|4.028092|3.100231|2.722238|2.815607|3.364678|4.298433|8.022436|0.165100|4.073482|2.122099|4.503960|5.162769|11.259257|8.344306|9.910366|18.992257|36.858105| |6.289139|7.935219|6.345526|0.176743|4.278954|3.676902|2.879888|2.613669|2.793909|3.408983|4.186004|7.954835|0.184606|3.931657|2.020271|3.682465|3.974744|7.509455|5.543501|7.480753|11.261170|16.029694|73.516695| |3.972569|5.163180|4.257655|0.132089|3.408372|2.822595|2.343405|2.091277|2.120671|2.412187|2.875803|4.775578|0.098767|3.252440|1.740035|3.419013|3.896548|7.230974|7.666212|11.716881|18.145770|7.772008|11.680698|36.858105| |3.547420|4.170944|3.430125|0.101565|2.828513|2.428255|2.061161|1.872729|1.913439|2.161594|2.504134|4.073303|0.085874|2.948759|1.578325|2.817144|3.221939|5.686508|5.434085|8.808438|10.761025|5.913179|9.998510|13.818027|36.858105| |2.833753|3.239944|2.828559|0.084510|2.398290|2.105648|1.822173|1.675682|1.715196|1.918455|2.174591|3.460123|0.073394|2.669264|1.433391|2.393194|2.652386|4.421372|4.029189|6.933512|7.031374|4.252070|7.570556|7.953252|13.743546|36.858105| |2.555082|2.978034|2.723668|0.083612|2.335445|2.054506|1.787198|1.643880|1.677375|1.867229|2.110540|3.330001|0.070315|2.626091|1.414134|2.342694|2.523776|4.103673|3.722512|6.593674|6.189436|3.785956|6.715110|6.898701|7.961234|13.794311|36.858105| |2.702309|3.285553|3.088094|0.098389|2.633525|2.278385|1.962962|1.786338|1.811834|2.021483|2.319256|3.681916|0.076850|2.834600|1.527619|2.659789|2.816066|4.592122|4.262907|7.608608|6.995809|4.163808|7.155246|7.980187|6.900837|7.950280|13.743219|36.858105| |3.294033|4.262793|3.925464|0.128893|3.239972|2.705727|2.273031|2.032041|2.051092|2.312661|2.733024|4.448532|0.091516|3.177825|1.707739|3.284920|3.527874|6.055642|6.034798|10.312726|10.562250|5.661295|9.063954|13.648047|7.886527|6.819194|7.884484|13.721142|36.858105| |3.283899|4.414388|4.455191|0.157582|3.757261|3.063677|2.552789|2.243933|2.234083|2.507660|3.017131|4.859294|0.096823|3.483718|1.878734|3.876202|3.917114|6.435219|6.072623|10.545740|8.911144|5.262005|8.173836|7.524247|5.010666|4.428687|5.015826|7.568992|12.632838|36.858105| |3.797915|5.443373|6.014466|0.241642|4.829303|3.783015|3.030129|2.615004|2.603620|2.971091|3.713794|6.152724|0.119351|3.974225|2.121296|4.796423|4.582983|7.630893|6.561058|10.279455|9.341596|6.168464|9.295776|6.457252|4.426543|3.773693|4.013493|5.352073|7.989912|15.650181|73.516695| |2.716240|3.458545|3.552935|0.120109|3.209103|2.692008|2.323179|2.056450|2.023675|2.220535|2.605247|4.020895|0.079698|3.247474|1.775090|3.415600|3.380827|5.150268|4.638113|8.809903|6.293858|3.865084|6.186896|5.257611|3.994447|3.793332|4.491627|6.611037|7.923697|14.299762|15.127418|53.358707| |2.493345|3.114615|3.363945|0.112873|3.206314|2.730986|2.406153|2.123268|2.059095|2.221570|2.585633|3.860356|0.075244|3.374939|1.862554|3.463889|3.235853|4.629989|3.871020|7.321367|5.012807|3.269656|5.283828|3.864430|3.095932|2.945934|3.363056|4.436936|5.023866|7.741839|12.033291|17.886889|36.858105| |2.193343|2.649066|2.774109|0.088551|2.735098|2.367499|2.147783|1.905395|1.826300|1.934089|2.212545|3.230759|0.062872|3.082518|1.729629|3.048024|2.916141|4.030600|3.356632|6.665105|4.223623|2.730758|4.412984|3.254710|2.727639|2.642119|2.992135|3.745092|4.012207|5.249724|8.186161|10.686768|12.516598|36.858105| |2.294409|2.775622|2.844919|0.089412|2.846529|2.426657|2.202738|1.933487|1.835551|1.937354|2.233076|3.254865|0.062753|3.125885|1.766438|3.289195|3.219863|4.374029|3.687714|7.663769|4.448141|2.817819|4.461983|3.359623|2.805873|2.670441|2.954113|3.634868|4.009741|5.121256|8.072159|9.573743|8.920331|17.553525|0.500000| |1.951548|2.300563|2.458972|0.077053|2.492280|2.220147|2.068168|1.852384|1.762049|1.836000|2.063321|2.939231|0.057069|3.038937|1.722109|2.753788|2.558538|3.435257|2.736507|5.290302|3.458870|2.318483|3.806291|2.606465|2.246197|2.186393|2.434579|2.920232|3.074762|3.837882|6.430322|6.804116|7.433072|12.364514|0.242102|36.858105| |1.739200|2.017444|2.132666|0.066314|2.122357|1.923623|1.799285|1.640592|1.581460|1.649964|1.825282|2.606974|0.051410|2.712253|1.528912|2.284100|2.160738|2.953924|2.363151|4.522821|3.075770|2.072373|3.467723|2.377016|2.100177|2.098897|2.376003|2.805957|2.815122|3.340094|5.463766|5.858419|5.626242|7.905748|0.163207|12.425067|36.858105| |1.756233|2.038053|2.098579|0.065065|2.055790|1.844444|1.709133|1.556617|1.508371|1.584876|1.760670|2.546823|0.050520|2.565216|1.441481|2.222304|2.168186|3.012716|2.475282|4.833446|3.237746|2.131463|3.554624|2.569074|2.289206|2.325977|2.680237|3.170260|3.085153|3.537478|5.516986|6.395911|5.487255|8.194588|0.177904|8.048436|12.512213|36.858105| |2.006082|2.380585|2.435993|0.076814|2.351791|2.066159|1.879862|1.693605|1.643603|1.745586|1.970494|2.894817|0.057299|2.757415|1.540508|2.560620|2.521103|3.563921|3.013218|5.975431|3.928097|2.522579|4.150014|3.166137|2.738088|2.755329|3.225494|4.011540|3.968241|4.734715|7.000675|9.590105|8.033603|13.480249|0.259711|8.049546|8.207947|13.501334|73.516695| |17.619587|8.816890|6.552960|0.140820|5.054693|4.670588|3.619204|3.289594|3.541367|4.364737|5.416990|9.386310|0.190890|4.831686|2.435248|4.080992|4.502712|7.619445|4.458110|6.243524|6.632689|6.971992|12.161761|3.730198|3.424390|2.782066|2.504312|2.616926|3.124704|3.072514|6.275158|3.469391|2.340293|2.048986|0.058717|1.836461|1.656292|1.668736|3.366237|0.500000| |17.593786|8.889268|5.426970|0.123565|4.641023|3.987594|3.238313|2.856992|2.892091|3.315192|4.052636|6.479771|0.124917|4.322563|2.269352|4.285216|5.498853|9.730459|5.501715|7.601396|7.547119|6.807324|10.049457|4.031164|3.742978|2.949339|2.595873|2.688217|3.241439|3.121931|6.166653|3.551610|2.365954|2.118010|0.062058|1.874984|1.681166|1.717261|3.484714|0.301453|0.500000| |17.572516|8.762197|6.769510|0.137717|6.482843|5.810127|4.502063|3.837028|3.820262|4.399365|5.690446|8.423125|0.146638|5.555127|2.858723|5.362663|6.178182|9.096914|4.657760|6.661485|6.005565|5.485434|8.423109|3.334548|2.989265|2.462650|2.261684|2.402060|2.879839|2.952110|6.078590|3.416486|2.365261|2.106141|0.061397|1.903471|1.687828|1.688653|3.396266|0.300627|0.301534|0.500000| |3.498200|3.632043|4.432572|0.108719|6.574659|8.729759|17.783578|8.983537|5.557203|4.803191|5.489626|5.831984|0.097917|12.402525|7.282008|5.972945|4.324303|4.876930|2.931537|4.797892|3.598330|2.875290|4.677500|2.254705|1.984081|1.760428|1.732069|1.904799|2.199313|2.482699|5.169083|3.126212|2.407793|2.188378|0.062980|2.125727|1.832189|1.735019|3.378907|0.089395|0.084419|0.113464|0.500000| |2.943904|2.838551|3.399738|0.085020|3.689004|4.964334|5.660960|8.836054|17.733302|9.056952|5.683218|5.706539|0.107903|13.879712|4.948815|2.969170|2.570023|3.402532|2.170106|3.484654|2.933368|2.468029|4.409219|1.912840|1.748283|1.583880|1.551051|1.662434|1.856207|2.001945|4.076747|2.493579|1.865329|1.669867|0.046455|1.623149|1.471757|1.403126|2.695335|0.085459|0.070771|0.089847|0.124005|0.500000| |3.777741|3.658637|4.547677|0.111641|4.299145|5.488245|4.800964|5.511124|8.987419|17.753081|8.725332|9.238566|0.191493|7.637617|3.311903|3.223079|2.860273|4.047729|2.579517|4.007318|3.643993|3.246234|6.075196|2.352372|2.137559|1.911559|1.857001|1.991990|2.251926|2.399905|4.982642|2.889514|2.102651|1.829915|0.050600|1.734365|1.578031|1.522259|2.972645|0.117581|0.087126|0.109272|0.105013|0.215380|0.500000| |2.666716|2.604603|2.933646|0.073711|3.672088|4.488886|6.682057|7.077396|4.729821|3.739639|3.676739|4.078361|0.073272|16.443587|17.579628|3.476488|2.943481|3.479069|2.185034|3.649046|2.750265|2.176040|3.644987|1.774907|1.612660|1.456488|1.428008|1.537850|1.725965|1.887881|3.778671|2.419832|1.851380|1.729099|0.049520|1.708236|1.512031|1.436532|2.738926|0.070494|0.067036|0.085591|0.218210|0.121343|0.087323|0.500000| |2.460602|2.510153|2.937162|0.076267|3.675209|4.490925|6.681680|7.079765|4.733651|3.742086|3.677493|4.077011|0.073360|16.444251|17.580347|3.469397|2.808481|3.358807|2.150652|3.615929|2.719192|2.137935|3.597221|1.777304|1.599505|1.455986|1.447174|1.575691|1.763660|1.967058|3.960471|2.551136|1.995991|1.855522|0.052552|1.865951|1.642801|1.534137|2.909661|0.065477|0.061525|0.076427|0.218322|0.121461|0.087384|0.298004|0.500000| |2.233033|2.201694|2.493328|0.064283|2.964378|3.581688|4.894764|5.906822|4.425742|3.412251|3.166129|3.556038|0.065624|16.961607|17.681946|2.769668|2.374889|2.907168|1.876684|3.152203|2.408680|1.902616|3.247827|1.586016|1.451374|1.327938|1.311473|1.408833|1.559695|1.702715|3.378603|2.204243|1.697969|1.588895|0.044932|1.591732|1.426876|1.345274|2.536581|0.060438|0.056492|0.069413|0.143400|0.124218|0.082433|0.299607|0.299588|0.500000| |4.155070|5.516876|6.646531|0.192118|9.070589|5.898883|4.777394|3.612803|3.215256|3.428677|4.490219|6.329110|0.107264|5.364817|2.990967|17.537788|8.833987|9.231625|5.614202|9.293329|5.994079|4.349811|6.369321|3.580278|2.882341|2.476507|2.477948|2.885413|3.597323|4.515384|10.173418|5.509191|4.249316|3.656774|0.110171|3.262512|2.623848|2.528707|5.260602|0.098934|0.102554|0.118560|0.139209|0.075815|0.082814|0.085832|0.089759|0.071224|0.500000| |4.177079|4.816770|5.474964|0.136983|8.883057|6.766173|6.207638|4.321741|3.558322|3.592687|4.577975|5.848846|0.097971|6.418777|3.717071|17.598473|8.744615|7.651240|4.335625|7.193268|4.789828|3.618593|5.466331|2.878027|2.444426|2.116919|2.077508|2.327617|2.788009|3.230733|6.809212|4.024292|3.069235|2.796528|0.083945|2.607171|2.167536|2.089516|4.193625|0.098228|0.103237|0.131048|0.205220|0.083094|0.084295|0.112241|0.110668|0.085711|0.301034|0.500000| |4.580045|5.619767|4.924992|0.129849|5.595252|4.127345|3.548109|2.855137|2.597725|2.756206|3.429197|4.969845|0.088688|4.410292|2.495023|8.771588|17.667299|12.635434|7.482317|13.607553|6.664298|4.417806|6.183880|3.807949|3.167320|2.642876|2.536547|2.837766|3.519413|3.914029|7.747162|4.764342|3.362978|3.136589|0.099390|2.723639|2.275647|2.306392|4.789961|0.101983|0.125331|0.129605|0.104025|0.063056|0.068740|0.074387|0.071823|0.060952|0.219837|0.203786|0.500000| |6.303320|6.646816|5.534926|0.129209|6.654620|5.034602|4.258130|3.366102|3.041905|3.231153|4.085887|5.764709|0.100160|5.088381|2.834111|8.779125|17.584701|12.495746|5.886711|9.148397|6.080371|4.552144|6.485334|3.389170|2.929697|2.433182|2.286097|2.488913|3.026853|3.242251|6.571647|3.872279|2.733175|2.508314|0.076207|2.246250|1.929815|1.936014|3.930953|0.130040|0.167919|0.202336|0.122441|0.072725|0.079196|0.086753|0.079103|0.068324|0.173988|0.217420|0.302335|0.500000| |3.833142|4.272857|3.367920|0.095941|2.791992|2.415959|2.056051|1.874230|1.919140|2.167603|2.500163|4.051941|0.085520|2.953652|1.578779|2.765581|3.235292|5.735147|5.224011|8.258453|9.974525|5.934733|10.084686|8.980285|17.743632|8.889744|5.651684|4.968625|5.634854|4.094754|6.800496|4.556249|2.710255|2.426062|0.069906|2.038989|1.901974|2.052483|4.284717|0.103056|0.117062|0.088338|0.054888|0.048779|0.059660|0.045066|0.044112|0.040363|0.076688|0.067120|0.087436|0.083836|0.500000| |2.597134|2.862376|2.504441|0.073433|2.154688|1.920797|1.681129|1.559421|1.600255|1.780077|1.989618|3.126066|0.066545|2.501571|1.344454|2.144680|2.375612|3.879405|3.408575|5.894978|5.707896|3.628908|6.583115|5.658452|8.923951|17.736129|8.917146|5.648136|4.925469|3.543808|5.549546|4.270925|2.533676|2.319147|0.065169|1.959455|1.898987|2.098614|4.318539|0.071535|0.075930|0.063200|0.045150|0.041337|0.049541|0.037985|0.037775|0.034769|0.060999|0.053383|0.065753|0.061631|0.214381|0.500000| |2.239352|2.554075|2.377414|0.072395|2.074659|1.852759|1.632840|1.514453|1.546600|1.708845|1.904156|2.959548|0.062581|2.439110|1.316412|2.080355|2.214999|3.509906|3.085852|5.526611|4.926537|3.135194|5.634555|4.966792|5.653233|8.921762|17.734584|8.930431|5.630206|4.097436|5.990410|5.298082|3.043965|2.777127|0.075318|2.304771|2.304287|2.620170|5.461166|0.061386|0.063134|0.055796|0.044055|0.040016|0.047405|0.036834|0.037421|0.034093|0.061040|0.051931|0.062037|0.056314|0.124076|0.214442|0.500000| |2.418939|2.911823|2.837474|0.090991|2.473216|2.164774|1.886985|1.724659|1.744867|1.931327|2.194036|3.426096|0.071237|2.753388|1.488688|2.504917|2.584244|4.074688|3.649931|6.628755|5.655506|3.525795|6.108603|5.658590|4.968509|5.666732|8.964457|17.738476|8.913236|7.011449|8.862545|9.851536|4.892170|4.125337|0.106637|3.195900|3.158112|3.627856|8.257157|0.065277|0.066197|0.060772|0.051046|0.044662|0.052858|0.041409|0.042882|0.038251|0.076439|0.061581|0.072724|0.063558|0.107823|0.124488|0.217035|0.500000| |2.481295|3.067670|3.060902|0.099829|2.786930|2.377684|2.082536|1.862328|1.835999|2.001914|2.312460|3.539820|0.070839|2.971017|1.630459|2.973242|3.018182|4.575789|4.156464|8.143583|5.703955|3.460111|5.618262|5.013918|4.016682|3.998741|4.958234|7.397936|7.535122|9.427435|10.855460|26.056342|9.137766|7.529130|0.189345|4.777053|4.383995|5.223451|14.831868|0.064967|0.067347|0.063692|0.057397|0.046564|0.053533|0.045473|0.047610|0.041602|0.095223|0.072854|0.087948|0.071967|0.092523|0.091930|0.121464|0.244051|0.500000| |2.310378|2.833370|3.118824|0.104392|2.952206|2.589571|2.300947|2.064370|2.023971|2.183935|2.499262|3.709734|0.073299|3.297752|1.809043|3.073216|2.831377|4.057876|3.303084|6.054135|4.435473|2.995892|4.994988|3.454173|2.844529|2.763693|3.191460|4.143667|4.447216|6.328993|10.286392|12.424408|17.540433|8.867137|0.174449|7.004297|5.961970|5.408576|12.558834|0.061260|0.060577|0.060998|0.063392|0.051300|0.057942|0.049467|0.053890|0.046069|0.102014|0.076683|0.080091|0.067818|0.069441|0.066721|0.081968|0.131651|0.202012|0.500000| 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|1.997242|2.360014|2.591668|0.081735|2.655914|2.385550|2.230724|1.996191|1.892686|1.965898|2.207864|3.116532|0.060195|3.269576|1.850907|2.901815|2.609224|3.476032|2.706724|5.106618|3.433045|2.349759|3.874423|2.543322|2.179937|2.102650|2.321080|2.780125|2.973774|3.781746|6.629034|6.414323|7.270270|8.670148|0.185818|17.568751|8.673261|5.753757|10.531240|0.052375|0.052695|0.054423|0.063650|0.048325|0.051358|0.050581|0.056225|0.047384|0.096511|0.076583|0.075878|0.063581|0.055252|0.052386|0.060794|0.083777|0.119109|0.206007|0.198242|0.500000| 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