Version2.2 2021-02-11T13:16:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 15-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1C(=O)N)NC(=O)C(=O)NC[C@H](c2ccc(o2)C)[NH+]3CCCC3 C67565704 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1C(=O)N)NC(=O)C(=O)NC[C@H](c2ccc(o2)C)[NH+]3CCCC3 C01[X(C21H27N4O4)] 162 C1 489 Cc1ccc(o1)[C@H]([NH+]1CCCC1)CNC(=O)C(=O)Nc1ccc(c(c1)C(=O)N)C Cc1ccc(o1)[C@H]([NH+]1CCCC1)CNC(=O)C(=O)Nc1ccc(c(c1)C(=O)N)C Cc1oc(cc1)[C@@H](CNC(=O)C(=O)Nc2ccc(C)c(c2)C(N)=O)[NH+]3CCCC3 InChIKey=YMLXHYHUFKARCT-QGZVFWFLSA-O InChI=1S/C21H26N4O4/c1-13-5-7-15(11-16(13)19(22)26)24-21(28)20(27)23-12-17(25-9-3-4-10-25)18-8-6-14(2)29-18/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)/p+1/t17-/m1/s1 InChI=1/C21H26N4O4/c1-13-5-7-15(11-16(13)19(22)26)24-21(28)20(27)23-12-17(25-9-3-4-10-25)18-8-6-14(2)29-18/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)/p+1/t17-/m1/s1/fC21H27N4O4/h23-25H,22H2/q+1 Cc1ccc(cc1C(=O)N)NC(=O)C(=O)NC[C@H](c2ccc(o2)C)[NH+]3CCCC3 C01[X(C21H27N4O4)] 162 C01 489 Cc1ccc(o1)[C@H]([NH+]1CCCC1)CNC(=O)C(=O)Nc1ccc(c(c1)C(=O)N)C CC1=[CH][CH]=C(O1)[C@H]([NH]1CCCC1)C[NH][C](=O)[C]([NH][C]1[CH][CH][C]([C]([CH]1)C(=O)N)C)=O C[C]1[CH][CH][C]([CH][C]1C(N)=O)NC(=O)C(=O)NC[C@@H]([NH]2CCCC2)c3oc(C)cc3 InChIKey=YWAFLKXKCDDHLR-QGZVFWFLSA-N InChI=1S/C21H27N4O4/c1-13-5-7-15(11-16(13)19(22)26)24-21(28)20(27)23-12-17(25-9-3-4-10-25)18-8-6-14(2)29-18/h5-8,11,17,25H,3-4,9-10,12H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)/t17-/m1/s1 InChI=1/C21H27N4O4/c1-13-5-7-15(11-16(13)19(22)26)24-21(28)20(27)23-12-17(25-9-3-4-10-25)18-8-6-14(2)29-18/h5-8,11,17,25H,3-4,9-10,12H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)/t17-/m1/s1/f/h23-24H,22H2 2671.8550472531 -1328.0524794 1-A 19848.4544 106 383 489 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.75801 -20.66662 -20.64487 -20.57862 -15.84293 -15.71886 -15.70197 -15.63349 -11.47908 -11.46617 -11.45101 -11.43611 -11.43510 -11.41842 -11.41808 -11.41459 -11.40606 -11.38030 -11.37847 -11.36181 -11.35904 -11.33904 -11.33740 -11.31270 -11.31236 -11.30945 -11.30789 -11.30075 -11.26650 -1.59928 -1.53998 -1.50350 -1.48513 -1.44731 -1.37950 -1.35712 -1.26741 -1.25844 -1.22852 -1.21496 -1.19548 -1.17486 -1.14962 -1.12232 -1.10153 -1.07863 -1.03313 -1.02118 -1.01277 -0.97616 -0.96794 -0.94539 -0.94229 -0.91664 -0.89697 -0.89161 -0.88657 -0.86493 -0.86145 -0.84940 -0.82485 -0.80802 -0.79043 -0.78443 -0.78282 -0.77243 -0.76504 -0.75678 -0.75113 -0.74280 -0.73280 -0.72814 -0.72221 -0.72065 -0.70807 -0.69872 -0.69448 -0.69018 -0.68894 -0.67865 -0.67569 -0.67186 -0.66476 -0.66336 -0.65733 -0.65562 -0.65206 -0.64714 -0.63861 -0.63609 -0.63393 -0.61508 -0.61185 -0.59892 -0.58331 -0.57528 -0.56873 -0.53015 -0.52124 -0.51708 -0.51167 -0.47649 -0.46195 -0.43825 -0.41140 -0.37984 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.00718 0.02788 0.03880 0.04872 0.08163 0.08465 0.10954 0.11709 0.12261 0.12792 0.13342 0.14405 0.15309 0.15693 0.16115 0.16286 0.16758 0.17201 0.17636 0.18491 0.19084 0.19319 0.20215 0.20347 0.20594 0.21279 0.21400 0.22024 0.22455 0.22612 0.23224 0.23597 0.23952 0.25254 0.25815 0.26288 0.27026 0.27804 0.28529 0.28762 0.29552 0.30127 0.30942 0.31355 0.32502 0.33454 0.34876 0.35184 0.35793 0.36943 0.39504 0.39886 0.41266 0.42629 0.43996 0.45083 0.45475 0.47259 0.48145 0.50777 0.51081 0.52618 0.54914 0.55294 0.55952 0.57046 0.58995 0.59799 0.61008 0.61885 0.62854 0.63040 0.63146 0.64024 0.64468 0.65099 0.65986 0.66411 0.67395 0.68041 0.68717 0.69422 0.69875 0.70227 0.70781 0.71349 0.72653 0.73384 0.73605 0.73912 0.74864 0.75673 0.76065 0.76840 0.77195 0.77499 0.78362 0.78496 0.78801 0.79377 0.80246 0.81018 0.81469 0.81899 0.82677 0.83182 0.84143 0.84638 0.86243 0.87489 0.87776 0.88301 0.88915 0.90217 0.91256 0.91693 0.91875 0.92760 0.93789 0.94024 0.95376 0.95560 0.95898 0.96976 0.97175 0.97648 0.98338 0.98720 0.99055 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2.15536 2.16264 2.17017 2.17658 2.18414 2.18979 2.20569 2.21778 2.22902 2.23662 2.24540 2.27686 2.27891 2.28661 2.29574 2.30596 2.31680 2.33086 2.33813 2.34899 2.35629 2.36896 2.38819 2.39493 2.40872 2.42036 2.42439 2.43239 2.43875 2.45019 2.46046 2.46719 2.47914 2.49301 2.50904 2.52029 2.52852 2.53664 2.54250 2.54550 2.55199 2.56851 2.58431 2.58940 2.59287 2.60353 2.61612 2.62723 2.64598 2.65961 2.66957 2.67501 2.69706 2.69963 2.70441 2.71199 2.72110 2.74916 2.76130 2.77226 2.79954 2.80201 2.81524 2.83202 2.83382 2.85687 2.86491 2.88140 2.89207 2.91636 2.92593 2.93814 2.95340 2.96380 2.98226 2.99256 2.99619 3.02179 3.03173 3.05691 3.07543 3.09463 3.11291 3.11866 3.15511 3.16316 3.18388 3.21691 3.22709 3.28770 3.30786 3.32303 3.35871 3.37181 3.41826 3.48149 3.50750 3.51769 3.66864 3.79598 4.21151 4.26412 4.32036 4.33694 4.38252 4.41615 4.44508 4.46007 4.46478 4.48561 4.50369 4.51242 4.52445 4.53279 4.56183 4.62657 4.64220 4.65580 4.69401 4.76522 4.78669 4.82408 4.83113 4.85774 4.89302 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2.2518 1.8725 1.8372 2.5451 2.5072 1.7024 2.1098 2.1332 2.2994 1.4624 1.4373 2.0999 1.6913 2.1092 1.2768 1.4201 1.5090 1.7860 1.2801 1.3721 3.5824 1.3428 1.3388 1.8397 1.4700 1.4200 1.2480 1.3007 1.6331 1.3224 1.8917 1.2418 1.0427 1.0811 1.0930 1.0886 1.0921 1.0988 1.0924 1.0901 1.1068 2.4558 2.1455 3.4386 7.3435 1.3121 3.0157 4.8610 6.3903 9.3398 11.6777 9.3105 1.0381 1.0374 1.0710 1.0658 1.0614 1.1031 1.0640 1.1035 1.0752 1.1021 1.0912 1.0996 1.1021 1.0934 1.1032 1.0906 1.1113 1.1100 1.0950 1.0982 1.0923 1.1018 1.0783 1.0478 1.0780 1.0799 1.1040 0.0002 0.0003 0.0011 0.0020 0.0060 0.0052 0.0094 0.0088 0.0166 0.0108 0.0185 0.0320 0.0481 0.0451 0.0146 0.0423 0.0235 0.1052 0.1091 0.1672 0.1616 0.0998 0.1164 0.2148 0.2771 0.2240 0.2334 0.2807 0.3548 0.4076 0.3396 0.1499 0.4687 0.3939 0.4606 0.5693 0.6335 1.0246 0.4460 0.8705 0.5012 0.4440 0.3117 0.7081 1.0129 0.8558 1.0493 0.9567 0.3521 1.3101 1.3205 1.3120 1.7839 1.7880 0.9895 2.1628 1.3445 4.6103 1.0963 0.6843 0.9371 0.7733 1.4816 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7.6492 23.3875 12.2598 0.7545 1.0525 20.6799 10.8925 93.8086 2.5763 6.2406 10.7527 1.0268 14.2246 2.7276 43.0332 31.1841 5.9420 2.7908 53.4879 6.2999 33.0254 3.7958 9.5451 3.7956 1.2585 17.5907 38.6852 8.4402 39.3881 2.6769 8.4489 59.5347 0.8954 1.7405 2.4503 45.1418 24.0489 25.8618 1.7208 1.7853 1.5101 17.5308 9.7179 11.6767 4.0602 6.9960 36.5133 3.0141 43.3457 24.2191 7.2754 15.1933 3.8865 7.9339 22.3628 116.0906 40.5816 33.8684 4.4812 4.4001 1.1564 0.4825 226.4900 0.7874 17.4504 14.1867 2.8472 1.9524 39.1140 71.1104 52.8763 2.1050 55.4570 79.0985 9.1290 28.2904 4.7775 16.6108 7.0951 10.9957 18.9534 2.0946 12.0226 4.1373 893.5691 6.0047 71.9686 170.7979 166.4492 13.2250 5.7118 504.4864 81.8782 440.4001 16.7782 29.5633 16.2063 13.6607 14.5956 13.4249 3.7372 22.3210 5.2627 9.2746 2.0450 11.8863 7.6066 2.2478 7.9049 13.9507 5.0562 2.9032 16.7540 2.4426 0.5140 0.9234 50.4454 64.5194 76.0114 125.1994 53.8418 2.2799 1.4822 1.4929 1.4517 0.9262 1.4074 0.9168 0.7713 1.6033 0.3885 2.1939 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75.7841 34.4816 35.7549 62.0446 48.4869 27.8387 132.4520 53.1426 28.3212 100.2451 17.5290 104.2945 68.8861 26.3942 50.4271 0.7393 0.7467 0.7425 0.7497 0.6525 0.7468 0.6336 0.7367 0.7345 0.6644 0.7492 0.5568 0.3108 0.6754 0.7498 0.5195 0.7073 0.7366 0.7372 0.1419 0.3823 0.7426 0.2232 0.4330 0.5381 0.4998 0.5710 0.3898 0.5480 0.5580 0.7476 0.3631 0.7384 0.7500 0.1280 0.1140 0.7223 0.1707 0.4563 0.6998 0.2653 0.6737 0.7299 0.5845 0.3260 0.6553 0.3456 0.4477 0.4820 0.6318 0.2757 0.2625 0.1494 0.1800 0.0859 0.1442 0.1907 0.7500 0.2121 0.2975 0.2501 0.7013 0.1000 0.1986 0.6991 0.1142 0.3615 0.0680 0.3571 0.7470 0.7062 0.1491 0.3056 0.4937 0.5024 0.7087 0.0949 0.3420 0.5850 0.2250 0.3897 0.2831 0.2090 0.5276 0.5900 0.5416 0.6548 0.1672 0.5765 0.1448 0.5678 0.7486 0.5576 0.6192 0.5977 0.3850 0.2475 0.3462 0.2386 0.3842 0.1481 0.5422 0.6416 0.1036 0.7404 0.7297 0.7336 0.7473 0.6608 0.6758 0.6207 0.4302 0.7441 0.3358 0.7214 0.7497 0.7450 0.5603 0.7346 0.7411 0.6375 0.7435 0.7399 0.6328 0.4592 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0.8463 0.8554 0.7958 0.8066 0.7660 0.6016 0.8533 0.5027 0.8381 0.8569 0.8538 0.7182 0.8470 0.8513 0.7786 0.8529 0.8505 0.7751 0.6294 0.8200 0.6698 0.3781 0.5789 0.4454 0.7092 0.5998 0.6832 0.4028 0.4020 0.0604 0.0601 0.2878 0.3700 0.2314 0.8563 0.2049 0.7940 0.7740 0.7975 0.2266 0.8213 0.8218 0.7454 0.4646 0.7241 0.7171 0.8082 0.3549 0.7721 0.3964 0.3191 0.4025 0.2762 0.2659 0.2430 0.8276 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 6 6 6 6 6 6 6 6 8 7 7 6 8 6 8 7 6 6 1 6 6 6 6 8 6 7 1 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 5761.2977 31071.6485 34716.7751 0.99999 -0.00171 -0.00394 0.00169 0.99999 -0.00418 0.00394 0.00417 0.99998 1 0.01503 0.00279 0.00249 0.31325 0.05808 0.05198 13.01 15.17 26.82 45.66 57.31 67.66 84.38 90.62 97.77 104.72 124.77 138.08 188.46 199.62 216.01 233.93 250.85 280.79 295.03 326.35 347.20 365.95 381.13 445.83 461.09 497.50 509.46 527.93 544.99 588.98 596.68 605.29 650.08 667.33 704.76 762.95 779.95 808.70 839.01 858.39 875.58 895.92 923.11 948.78 963.10 990.30 1005.30 1008.92 1018.60 1083.11 1109.67 1122.61 1136.41 1180.00 1262.20 1268.63 1280.09 1302.73 1322.60 1334.81 1343.18 1344.31 1420.45 1423.53 1446.42 1451.87 1477.25 1481.00 1507.64 1518.22 1524.55 1555.95 1558.63 1559.54 1596.87 1600.12 1620.21 1641.31 1653.68 1685.74 1691.09 1695.18 1703.60 1734.01 1756.43 1761.23 1783.04 1875.59 1888.61 1893.32 1899.99 1907.44 1916.77 1933.53 1970.08 1975.35 1985.87 2008.21 2030.40 2056.49 2071.53 2109.01 2117.63 2143.29 2160.85 2164.74 2187.08 2192.89 2217.11 2236.66 2247.65 2260.89 2261.66 2266.06 2289.47 2325.00 2342.77 2343.87 2354.65 2357.07 2358.15 2365.07 2379.08 2404.42 2406.96 2453.70 2523.62 2537.82 2587.11 2591.35 2617.78 2646.75 2786.18 2830.24 2843.04 4629.72 4647.18 4657.43 4680.76 4712.94 4714.81 4725.30 4743.17 4749.65 4761.29 4761.71 4769.26 4772.46 4783.02 4800.61 4827.94 4828.77 4850.61 4866.52 4948.39 4959.91 4973.66 5338.21 5502.87 5533.12 5557.80 5683.95 0.507437 0.534179 0.535123 0.444394 -1327.545043 -1327.518300 -1327.517356 -1327.608085 3.043066D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE Cc1ccc(cc1C(=O)N)NC(=O)C(=O)NC[C@H](c2ccc(o2)C)[NH+]3CCCC3 C67565704 RHF 6-31G(d) (6D,10F) C1 399.203231 |X|Y|Z| 52.499479 27.142011 127.887567 56.694611 22 6 7 8 18 3 1 |36.858105| |12.595139|36.858105| |7.603726|13.705392|36.858105| |5.020445|7.856517|13.789386|36.858105| |4.407477|6.778008|7.956087|13.765612|36.858105| |4.965720|7.845867|6.920494|7.971109|13.757537|36.858105| |7.426641|13.612558|7.998853|6.889067|7.914390|13.705208|36.858105| |6.345676|7.542875|5.042686|4.460527|5.052842|7.660063|12.645923|36.858105| |6.601951|6.456984|4.432078|3.794414|4.047113|5.427132|8.025784|15.912069|73.516695| |4.513300|5.230875|4.001969|3.808276|4.516761|6.661128|7.850227|14.003455|15.128228|53.358707| |3.319708|4.505858|5.184628|7.932462|13.429178|7.744470|5.115896|3.851870|5.708295|5.032488|53.358707| |2.850693|3.676357|3.937131|5.224277|7.711975|6.308370|4.331442|3.554291|5.265688|4.955286|19.479608|36.858105| |2.822453|3.583079|3.617479|4.459708|6.439718|6.406772|4.435504|3.837313|5.565534|5.693805|11.357134|15.864495|73.516695| |2.356985|2.899375|3.151431|4.026290|5.051248|4.222485|3.236903|2.770550|4.275093|3.849307|10.869148|12.392038|14.320930|36.858105| |2.269810|2.763529|3.096668|3.986583|4.636859|3.730888|2.967908|2.519495|3.959660|3.414814|9.578395|7.894319|9.803732|15.820016|73.516695| |2.097755|2.512146|2.646131|3.209003|3.924191|3.558579|2.827250|2.527602|3.933660|3.612997|7.287372|7.928032|12.771106|14.229881|15.080192|53.358707| |1.825979|2.134295|2.254115|2.668818|3.097008|2.826731|2.343698|2.129315|3.387045|3.017747|5.417605|5.064010|8.288511|7.911194|12.318860|18.046205|36.858105| |1.728226|2.000386|2.136516|2.513587|2.819404|2.542424|2.151893|1.948439|3.112249|2.750269|4.806766|4.244670|6.930954|6.104448|10.681667|10.610565|12.335819|36.858105| |1.829888|2.134963|2.321373|2.777387|3.081958|2.698398|2.272437|2.020909|3.216574|2.821752|5.361676|4.614061|7.179491|6.820144|13.066594|9.998505|8.856624|17.654193|0.500000| |1.665536|1.910045|2.009973|2.320404|2.600610|2.408691|2.064509|1.898550|3.027311|2.725522|4.267817|3.783947|6.594512|4.811227|7.869682|8.437158|7.568885|12.792155|0.249571|36.858105| |1.705386|1.951113|2.048260|2.347924|2.614640|2.435589|2.103811|1.936059|3.072101|2.799156|4.193450|3.669919|6.549240|4.311508|6.979056|6.991142|5.303439|7.313154|0.188666|14.250308|36.858105| |1.568542|1.767821|1.825601|2.046975|2.267858|2.171264|1.910529|1.797002|2.873289|2.626549|3.520998|3.036403|5.611340|3.397009|5.492345|5.509463|4.214182|5.150166|0.127987|8.593225|13.224488|36.858105| |1.480903|1.663239|1.711117|1.913961|2.125760|2.046237|1.802069|1.707518|2.749301|2.491058|3.311605|2.862271|5.277208|3.273357|5.316876|5.494685|4.510484|5.337760|0.122850|8.703417|8.539108|14.205168|36.858105| |1.527195|1.729797|1.795430|2.035694|2.273967|2.156313|1.874741|1.757145|2.826632|2.538998|3.634821|3.181152|5.711358|3.862066|6.314706|6.793941|6.264340|7.923304|0.159978|14.048612|8.615799|8.636434|14.031218|73.516695| |1.352484|1.501105|1.529905|1.686868|1.861087|1.817895|1.624262|1.562198|2.539853|2.283905|2.842624|2.414112|4.488181|2.690689|4.413512|4.410968|3.599222|3.948773|0.093290|5.321588|5.133651|7.321854|12.793923|13.964644|36.858105| |1.545095|1.759844|1.879856|2.172802|2.371746|2.153747|1.865858|1.704935|2.764431|2.384904|3.908311|3.265345|5.359640|4.366750|8.212557|6.890739|7.557002|12.560444|0.253395|7.802636|5.261045|4.240003|4.656244|11.924993|3.729692|53.358707| |1.470612|1.664469|1.757630|2.008634|2.202138|2.036164|1.774408|1.641700|2.670965|2.311949|3.572973|3.005346|5.067124|3.884403|7.009081|6.361876|7.010272|9.331239|0.182591|7.390548|4.952252|4.303485|5.097871|13.784826|4.219034|25.733533|0.500000| |1.454844|1.640004|1.758654|2.009625|2.144140|1.947001|1.715069|1.569065|2.556536|2.187726|3.442331|2.788041|4.609806|3.508046|6.665104|5.216858|4.877105|7.477341|0.194173|6.456891|5.079009|4.184127|4.389482|9.974132|3.558022|16.960839|0.256924|36.858105| |1.398424|1.566969|1.693058|1.926232|2.017255|1.819698|1.618416|1.476454|2.425594|2.033649|3.205282|2.512785|4.096118|3.110145|6.157450|4.399147|3.962620|5.212846|0.146880|4.340954|3.671052|3.138113|3.251064|6.967184|2.797237|10.623607|0.175032|12.439566|36.858105| |1.396633|1.567135|1.687004|1.921516|2.027737|1.835289|1.626664|1.488012|2.452547|2.044383|3.240940|2.546567|4.133671|3.199301|6.390941|4.557186|4.268883|5.074957|0.136036|3.979453|3.256996|2.832305|3.024053|6.635664|2.667538|10.859370|0.190297|7.884633|12.468549|36.858105| |1.539185|1.751366|1.885881|2.184361|2.356166|2.117637|1.840887|1.673279|2.733268|2.307620|3.885761|3.138557|5.018931|4.202574|8.500384|6.143769|6.353734|7.436634|0.189704|4.969886|3.813226|3.191830|3.425705|7.950160|2.924943|17.136643|0.257202|7.806620|7.997452|12.532294|36.858105| |17.599204|8.808331|5.788338|4.241777|3.928381|4.569188|6.724604|6.666251|12.504301|6.668165|4.144592|2.698485|4.865117|2.235274|3.786198|2.750964|1.760895|1.672982|0.048945|1.632246|1.684378|1.562771|1.470740|2.672983|1.347946|2.033104|0.039657|1.411026|1.348535|1.341390|1.475031|0.500000| |17.610922|8.858560|6.041336|4.352932|3.953088|4.494446|6.441350|6.111991|12.877209|5.841360|4.176782|2.665114|4.697442|2.232105|3.830731|2.722930|1.754478|1.647373|0.048130|1.581266|1.605017|1.483319|1.412694|2.597131|1.298444|2.019125|0.039380|1.391507|1.342992|1.351291|1.487331|0.304361|0.500000| |17.584379|8.901933|7.387505|4.813640|3.987160|4.174465|5.552118|4.698472|8.548102|4.955082|4.211502|2.643147|4.577342|2.233702|3.885769|2.699382|1.744822|1.670790|0.049417|1.607636|1.649296|1.514015|1.426331|2.614523|1.301932|2.047166|0.039635|1.428106|1.381470|1.373785|1.502936|0.301372|0.300582|0.500000| |7.104964|8.936695|17.724814|8.988192|5.669373|4.977356|5.669494|4.095600|6.756457|4.547450|5.736568|3.316274|5.413502|2.784295|4.973616|3.220753|2.060616|1.981082|0.059906|1.865141|1.902722|1.702589|1.596791|2.971575|1.433811|2.407093|0.045893|1.673907|1.627789|1.615993|1.783639|0.149668|0.159217|0.229581|0.500000| |4.108256|5.616371|8.936625|17.697932|8.905981|5.653963|4.958911|3.562623|5.571852|4.284276|9.928671|4.889515|7.153872|4.071986|7.582294|4.346461|2.710312|2.601624|0.081363|2.366126|2.384292|2.054903|1.919561|3.655498|1.683587|3.086573|0.057573|2.114591|2.050680|2.036116|2.304409|0.098352|0.101337|0.114897|0.217495|0.500000| |4.056272|5.615204|4.984033|5.669496|8.944592|17.809412|8.926713|7.147982|9.066164|10.061407|9.617016|6.866033|14.256164|4.464638|6.689345|5.313673|3.031988|2.660094|0.076973|2.540689|2.553751|2.294662|2.177935|4.079887|1.938562|3.035795|0.059120|1.990318|1.839581|1.865752|2.172456|0.107993|0.105626|0.095970|0.108062|0.124351|0.500000| |4.156351|4.989515|4.009751|3.954399|4.824138|7.032909|7.318777|9.272159|10.902258|26.086670|5.451458|4.044901|8.575368|3.072471|4.767463|3.936630|2.378009|2.178383|0.062238|2.180687|2.266625|2.119589|1.987716|3.583467|1.805647|2.537103|0.050076|1.710540|1.575608|1.573205|1.783333|0.124711|0.105956|0.096165|0.092556|0.091063|0.224747|0.500000| |3.987649|4.289684|3.373837|3.188857|3.656330|4.954907|5.729833|9.491283|13.893794|26.018007|4.235742|3.107986|6.312401|2.504489|3.980969|3.260456|2.037497|1.864146|0.052717|1.861136|1.911349|1.818642|1.733963|3.119479|1.608215|2.222196|0.044246|1.503687|1.399539|1.407883|1.578414|0.123101|0.108266|0.091090|0.080895|0.075263|0.151382|0.311883|0.500000| |3.065728|4.021507|4.844838|7.423563|9.196864|5.760464|4.271537|3.301258|5.063339|4.258670|25.991234|9.651920|10.893692|7.949311|15.127365|6.976616|4.024571|3.642491|0.116043|3.125486|3.024228|2.512485|2.375919|4.695281|2.037130|4.101559|0.075278|2.660317|2.523406|2.560989|3.076886|0.077379|0.079364|0.081403|0.114868|0.223357|0.145170|0.092433|0.074906|0.500000| |2.130427|2.546876|2.620105|3.120398|3.889004|3.701512|2.931080|2.672003|4.121167|3.920299|6.875549|7.730483|15.181040|9.493071|10.893508|26.004342|8.911602|6.104382|0.156325|5.691076|5.018782|4.168024|4.144001|8.666535|3.367773|5.782651|0.113736|3.363575|2.836666|2.909182|3.742920|0.057595|0.056431|0.055416|0.064588|0.084049|0.117159|0.088241|0.072287|0.127002|0.500000| |1.808356|2.110255|2.245789|2.664470|3.052596|2.754085|2.295655|2.076015|3.331532|2.896287|5.347093|4.739279|7.453420|7.384727|13.217251|12.654089|17.649848|8.755387|0.206242|5.541020|4.179763|3.439182|3.670557|8.622684|3.075647|9.738327|0.180584|4.625535|4.057560|4.689875|7.487222|0.048040|0.048594|0.048139|0.057311|0.075943|0.081070|0.062546|0.054350|0.114172|0.184528|0.500000| |1.718894|1.986090|2.062904|2.392045|2.769346|2.608762|2.194157|2.036075|3.256768|2.920259|4.652012|4.296240|7.506974|5.828288|8.977363|12.589427|17.618878|8.782319|0.174102|7.131749|5.009511|4.321528|4.959996|12.595792|4.076991|8.971508|0.196651|4.430266|3.586715|3.898769|5.432880|0.046368|0.046120|0.045466|0.052487|0.066599|0.078821|0.063720|0.055372|0.093884|0.226954|0.301606|0.500000| |1.814740|2.088316|2.215030|2.557794|2.826584|2.592497|2.235621|2.029703|3.202890|2.918259|4.530294|3.898982|6.838722|4.457567|7.301518|6.696711|4.734968|6.293410|0.186939|8.832033|17.787489|8.443502|5.829268|10.432120|4.029916|6.268201|0.115838|4.597906|3.504144|3.068528|3.549458|0.049762|0.047026|0.048953|0.057186|0.072642|0.074426|0.066107|0.054945|0.090886|0.131971|0.107639|0.118845|0.500000| |1.538389|1.719812|1.765254|1.955409|2.148722|2.078406|1.852780|1.756151|2.813670|2.578774|3.263404|2.765503|5.168896|2.978568|4.839030|4.661991|3.450027|4.039146|0.104768|5.856536|8.457677|17.808167|8.837627|10.454330|6.327090|4.693073|0.096667|3.490920|2.739669|2.470778|2.720618|0.042870|0.040311|0.041305|0.045888|0.054288|0.060788|0.057958|0.049886|0.064312|0.099298|0.080713|0.097801|0.193659|0.500000| |1.276774|1.411194|1.444525|1.589885|1.737607|1.687193|1.515167|1.454296|2.378613|2.107285|2.650917|2.219359|4.058347|2.497075|4.184463|4.023572|3.371918|3.762992|0.089079|4.814202|4.474679|5.798324|8.931355|12.390018|17.559300|5.164935|0.122172|3.726558|2.943671|2.802058|2.987591|0.035243|0.034136|0.034276|0.037815|0.044354|0.049608|0.045962|0.041261|0.053336|0.083292|0.082157|0.105096|0.100142|0.141371|0.500000| |1.362199|1.512534|1.531351|1.685810|1.874863|1.848985|1.649011|1.597492|2.599024|2.347611|2.860736|2.448122|4.607151|2.712339|4.394130|4.515973|3.671255|3.779980|0.088626|4.818698|4.474034|5.797182|8.939689|12.417649|17.564477|4.816135|0.112497|3.231212|2.604528|2.561086|2.852144|0.037720|0.036478|0.036252|0.039710|0.046435|0.055301|0.051398|0.046062|0.056594|0.097702|0.087353|0.120280|0.100151|0.141322|0.301379|0.500000| |1.322755|1.459367|1.480742|1.619450|1.777533|1.748153|1.575969|1.524784|2.482877|2.238076|2.677384|2.251671|4.219085|2.448344|4.019009|3.917062|3.080657|3.362023|0.082384|4.425025|4.618853|6.848913|8.999689|10.183399|17.615386|4.292485|0.095898|3.094949|2.496102|2.355856|2.544454|0.036813|0.035213|0.035400|0.038635|0.044762|0.051655|0.049243|0.043989|0.053059|0.083828|0.074159|0.094342|0.105102|0.190045|0.300964|0.300885|0.500000| |1.367075|1.529477|1.623965|1.833859|1.958595|1.806051|1.603510|1.483256|2.424755|2.080472|3.094301|2.514224|4.251046|3.069910|5.653962|4.658522|4.292055|6.067236|0.149004|6.077463|4.898862|4.375376|4.814370|10.658840|4.012659|12.259067|0.246669|17.656669|8.691196|6.379713|6.005758|0.037023|0.036397|0.037225|0.042975|0.053091|0.051564|0.045148|0.039975|0.065478|0.086187|0.111246|0.115142|0.118534|0.101502|0.122008|0.098718|0.095680|0.500000| |1.522259|1.722029|1.855613|2.129724|2.266365|2.043793|1.796797|1.633766|2.648308|2.280321|3.643688|2.948935|4.863652|3.677934|6.954675|5.369145|4.729928|7.594400|0.221602|7.130776|6.088122|4.675744|4.554975|9.864305|3.543361|12.181340|0.189469|17.692114|8.664285|5.773781|6.064806|0.041080|0.040172|0.041591|0.049051|0.062486|0.057743|0.049864|0.043380|0.078090|0.096504|0.120335|0.116469|0.159552|0.108268|0.100130|0.088024|0.087440|0.302643|0.500000| |1.301712|1.445551|1.554405|1.747310|1.817141|1.654707|1.487378|1.366484|2.256200|1.883274|2.836586|2.208269|3.647648|2.652342|5.152012|3.755275|3.292661|4.154201|0.115341|3.721815|3.266124|2.904511|3.017447|6.223173|2.671923|7.809055|0.142709|8.779112|17.617264|8.694349|5.699230|0.034980|0.034774|0.035808|0.041735|0.051484|0.046418|0.040437|0.036187|0.061531|0.068822|0.092683|0.085380|0.086601|0.071766|0.079531|0.068619|0.066976|0.221580|0.189364|0.500000| |1.458558|1.638483|1.790213|2.048282|2.119503|1.886112|1.678022|1.516454|2.489165|2.074208|3.373327|2.596309|4.167131|3.202357|6.530256|4.358300|3.768553|4.893562|0.149885|4.034879|3.548414|2.968966|2.973251|6.225322|2.539968|8.659669|0.139835|8.820316|17.583010|8.829134|6.841562|0.038921|0.038777|0.040223|0.048038|0.061382|0.052420|0.044654|0.039494|0.074871|0.077551|0.107930|0.092253|0.097936|0.072972|0.072848|0.065914|0.063966|0.175328|0.223327|0.302558|0.500000| |1.312397|1.463190|1.560024|1.758926|1.861699|1.708992|1.523851|1.408306|2.329887|1.943602|2.938998|2.322466|3.838688|2.857374|5.526352|4.163448|3.900344|4.466891|0.114466|3.712933|3.043635|2.743287|3.009070|6.558317|2.735827|9.331577|0.190212|6.731176|8.779312|17.553314|8.841014|0.035147|0.035393|0.035785|0.041506|0.051269|0.048552|0.041450|0.037389|0.063615|0.075499|0.117062|0.104059|0.078220|0.066714|0.081547|0.073323|0.066682|0.174968|0.137077|0.216473|0.173787|0.500000| |1.384563|1.548866|1.675935|1.904213|1.985922|1.789293|1.595007|1.455084|2.410162|1.982588|3.150611|2.423127|3.901655|2.995409|6.103669|4.129847|3.705667|4.168902|0.116335|3.327567|2.819213|2.468186|2.594314|5.526282|2.319817|7.761711|0.139370|5.650242|8.689445|17.614356|8.808647|0.036776|0.037318|0.037974|0.044864|0.056447|0.050145|0.042148|0.037926|0.069931|0.073559|0.115839|0.093640|0.075389|0.060844|0.067178|0.062370|0.057772|0.132030|0.128009|0.195469|0.217993|0.302156|0.500000| |1.656868|1.902729|2.077173|2.444737|2.626973|2.308948|1.990237|1.782838|2.901511|2.437857|4.424792|3.516603|5.432652|4.871953|10.736063|6.632209|6.411206|7.296766|0.216687|4.722142|3.766995|3.065650|3.169732|7.137503|2.677189|12.319432|0.183139|6.544412|6.905299|8.769757|17.621157|0.043818|0.044340|0.045038|0.054526|0.072672|0.065137|0.052365|0.045978|0.100088|0.108707|0.218970|0.141043|0.101267|0.073356|0.074523|0.072556|0.065805|0.137738|0.160196|0.138874|0.193492|0.173200|0.215941|0.500000| 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