Version2.4 2021-05-29T01:57:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)C)N(c2ccccc2)C(=O)Cc3ccc(cc3)Br C36607873 RHF 6-31G(d) (6D,7F) C[C@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)C)N(c2ccccc2)C(=O)Cc3ccc(cc3)Br C01[X(C28H31Br1N2O2)] 186 C1 572 O=C([C@@H](N(C(=O)Cc1ccc(cc1)Br)c1ccccc1)[C@@H](c1ccccc1)C)NC(C)(C)C O=C([C@@H](N(C(=O)Cc1ccc(cc1)Br)c1ccccc1)[C@@H](c1ccccc1)C)NC(C)(C)C C[C@@H]([C@H](N(C(=O)Cc1ccc(Br)cc1)c2ccccc2)C(=O)NC(C)(C)C)c3ccccc3 InChIKey=JGZFPBYORIVCON-IBVKSMDESA-N InChI=1S/C28H31BrN2O2/c1-20(22-11-7-5-8-12-22)26(27(33)30-28(2,3)4)31(24-13-9-6-10-14-24)25(32)19-21-15-17-23(29)18-16-21/h5-18,20,26H,19H2,1-4H3,(H,30,33)/t20-,26+/m1/s1 InChI=1/C28H31BrN2O2/c1-20(22-11-7-5-8-12-22)26(27(33)30-28(2,3)4)31(24-13-9-6-10-14-24)25(32)19-21-15-17-23(29)18-16-21/h5-18,20,26H,19H2,1-4H3,(H,30,33)/t20-,26+/m1/s1/f/h30H C[C@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)C)N(c2ccccc2)C(=O)Cc3ccc(cc3)Br C01[X(C28H31Br1N2O2)] 186 C01 572 O=C([C@@H](N(C(=O)Cc1ccc(cc1)Br)c1ccccc1)[C@@H](c1ccccc1)C)NC(C)(C)C O=C(N([C@@H]([C@@H]([C]1[CH][CH][CH][CH][CH]1)C)[C]([NH]C(C)(C)C)=O)[C]1[CH][CH][CH][CH][CH]1)C[C]1[CH][CH][C]([CH][CH]1)Br C[C@H]([C]1[CH][CH][CH][CH][CH]1)[C@H](N([C]2[CH][CH][CH][CH][CH]2)C(=O)C[C]3[CH][CH][C](Br)[CH][CH]3)C(=O)NC(C)(C)C InChIKey=JGZFPBYORIVCON-IBVKSMDESA-N InChI=1S/C28H31BrN2O2/c1-20(22-11-7-5-8-12-22)26(27(33)30-28(2,3)4)31(24-13-9-6-10-14-24)25(32)19-21-15-17-23(29)18-16-21/h5-18,20,26H,19H2,1-4H3,(H,30,33)/t20-,26+/m1/s1 InChI=1/C28H31BrN2O2/c1-20(22-11-7-5-8-12-22)26(27(33)30-28(2,3)4)31(24-13-9-6-10-14-24)25(32)19-21-15-17-23(29)18-16-21/h5-18,20,26H,19H2,1-4H3,(H,30,33)/t20-,26+/m1/s1/f/h30H 3974.3704901558 -3906.9258896 1-A 18697.2215 132 440 572 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.06318 -64.47471 -58.61419 -58.61236 -58.61224 -20.53849 -20.51537 -15.60984 -15.57024 -11.36476 -11.33827 -11.29784 -11.28576 -11.27683 -11.26889 -11.25763 -11.24913 -11.24894 -11.24880 -11.24814 -11.24665 -11.24603 -11.24549 -11.24320 -11.24317 -11.23986 -11.23927 -11.23269 -11.22646 -11.22505 -11.22439 -11.22326 -11.22078 -11.21465 -11.21353 -11.19853 -11.19665 -9.72303 -7.47225 -7.46350 -7.46347 -3.21115 -3.20691 -3.20690 -3.19676 -3.19675 -1.40889 -1.38224 -1.26803 -1.23010 -1.18184 -1.16138 -1.15284 -1.09624 -1.08414 -1.06535 -1.03344 -1.03176 -1.02591 -1.02018 -1.00826 -0.98960 -0.95987 -0.93710 -0.93369 -0.92749 -0.86174 -0.85110 -0.84984 -0.84509 -0.82100 -0.81968 -0.80506 -0.77593 -0.76386 -0.75028 -0.72056 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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| 7.9904 14.0660 19.0339 24.8322 36.6998 42.9661 50.7993 51.0426 62.8846 78.3381 92.6537 93.6763 112.6605 129.8731 144.0044 147.6936 179.7172 199.7545 211.0916 212.9015 226.6618 235.8611 243.2378 257.0811 276.3223 288.6014 293.9915 315.6303 320.9748 329.3016 351.5480 366.6891 377.0113 383.1544 403.4242 430.1910 450.9041 455.9698 462.2712 470.8066 478.9290 485.3048 500.3401 534.9903 555.2010 560.0741 592.6113 613.9082 619.7799 630.0264 670.4750 678.9450 681.4443 690.7119 701.3518 763.5471 779.8517 783.2294 784.7103 795.3918 821.8812 851.0290 854.7094 863.3781 874.6080 909.3578 921.6251 955.1550 955.2355 963.1288 964.2228 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3351.7867 3359.1101 3361.9209 3369.6451 3372.9364 3375.4985 3380.2302 3383.5219 3388.7558 3388.9417 3392.7995 3403.8269 3406.2352 3441.2029 3861.8225 6.0388 7.0298 5.2204 4.3046 4.6568 3.1855 3.7649 3.9789 5.3926 4.3501 4.9820 6.5676 3.9756 3.8891 6.9952 7.6071 5.7202 5.1659 1.0672 4.4755 3.9963 4.7428 1.0504 4.6719 3.2294 4.5906 1.1291 1.0540 4.6009 5.6648 2.9184 4.8870 2.7735 3.3359 3.8701 4.2714 2.8087 2.9109 2.9356 2.9837 5.6218 2.9498 3.1801 3.7966 2.9555 3.1054 1.4410 3.0537 2.4583 5.3666 4.0338 6.3042 6.1577 5.8290 5.6829 5.6268 1.8658 2.0923 3.2824 3.8499 4.2683 3.5227 2.1418 1.9986 2.7678 2.2388 3.9628 1.2528 1.2708 1.3065 2.3566 2.4182 2.4451 1.6971 1.8152 1.5365 1.9549 1.9349 1.1957 1.6831 3.7137 5.0502 5.2030 1.4256 1.4836 4.8151 1.3656 1.4063 1.3272 2.6375 2.2599 1.3753 1.9159 2.2247 1.3745 1.5844 2.7170 2.0432 1.7598 2.2526 2.1796 2.4200 1.9770 2.0172 2.5333 1.1615 2.2574 1.3422 1.3853 1.2768 1.5732 1.5777 1.8788 1.9767 2.4605 2.5611 2.3571 2.5475 1.7520 1.4443 1.4000 1.6765 1.3290 1.5755 1.6813 1.5946 1.3047 1.3031 1.5657 1.2575 2.2751 1.2514 2.1585 1.7611 1.1457 1.0569 1.0962 1.0479 1.0621 1.0743 1.0531 1.0556 2.2116 1.0581 2.1198 2.2303 1.7662 6.2782 5.2823 5.0888 5.3194 5.2422 5.2412 10.8957 7.4825 1.0372 1.0405 1.0409 1.0424 1.0707 1.1036 1.1023 1.1025 1.0933 1.1012 1.0955 1.0996 1.0990 1.0955 1.0863 1.0861 1.0957 1.0892 1.0872 1.0931 1.0911 1.0909 1.0956 1.0949 1.0902 1.0980 1.0985 1.0953 1.0963 1.0943 1.0792 0.0002 0.0008 0.0011 0.0016 0.0037 0.0035 0.0057 0.0061 0.0126 0.0157 0.0252 0.0340 0.0297 0.0386 0.0855 0.0978 0.1089 0.1214 0.0280 0.1195 0.1210 0.1555 0.0366 0.1819 0.1453 0.2253 0.0575 0.0619 0.2793 0.3619 0.2125 0.3872 0.2323 0.2885 0.3711 0.4657 0.3364 0.3566 0.3696 0.3897 0.7597 0.4093 0.4691 0.6402 0.5368 0.5739 0.2982 0.6781 0.5564 1.2551 1.0684 1.7122 1.6847 1.6385 1.6470 1.9328 0.6685 0.7562 1.1909 1.4350 1.6987 1.5032 0.9218 0.8778 1.2474 1.0908 1.9832 0.6734 0.6832 0.7140 1.2909 1.3836 1.4603 1.0198 1.1246 0.9692 1.2496 1.2599 0.7884 1.1219 2.5232 3.5382 3.6692 1.0156 1.0619 3.4777 1.0000 1.0322 0.9850 1.9682 1.6949 1.0358 1.4777 1.7535 1.0873 1.2782 2.2222 1.6817 1.4576 1.8862 1.8315 2.1004 1.7477 1.8441 2.3858 1.1627 2.2664 1.3511 1.4023 1.2933 1.6247 1.6562 1.9841 2.1416 2.7411 2.8613 2.6427 2.9387 2.1357 1.8017 1.7545 2.1228 1.7107 2.0980 2.2788 2.2597 1.8561 1.8563 2.2520 1.8184 3.3109 1.8490 3.3205 2.7315 1.7780 1.6714 1.7341 1.6590 1.6861 1.7082 1.6873 1.7020 3.6296 1.7413 3.4932 3.6871 3.1452 11.5689 9.8933 9.5474 10.1662 10.0715 10.1311 22.8678 16.2980 6.2629 6.3056 6.3423 6.3745 6.7064 6.9166 6.9357 6.9388 6.8830 6.9973 6.9626 7.1256 7.1543 7.1463 7.1411 7.1836 7.2528 7.2412 7.2399 7.3127 7.3137 7.3234 7.3758 7.3850 7.3763 7.4298 7.4504 7.4770 7.4943 7.6347 9.4826 0.0756 0.1659 1.0637 0.1236 0.4416 0.0091 0.1375 0.1229 0.1881 0.7283 0.9483 1.7723 0.7486 0.6541 4.1010 6.2218 6.4560 2.8698 0.6980 2.8959 1.6488 3.6914 0.6886 1.5449 2.4369 0.9281 0.1325 0.0388 9.3518 0.3069 7.3526 1.4123 1.3982 3.5224 7.2720 9.9412 0.1108 0.0614 0.0996 1.8062 4.6370 5.3199 1.4608 37.1544 20.9454 13.5172 98.0165 26.5957 24.7259 4.8241 18.1674 0.2881 0.6339 3.9646 8.3747 6.2067 37.0976 40.0329 29.4345 2.6005 13.7914 13.4197 8.0779 13.3477 49.3410 37.3063 5.7620 0.1907 0.5071 1.1377 18.5674 7.7124 0.3284 0.0670 1.9607 2.7989 7.6529 0.7147 0.1907 1.2283 2.0150 0.3348 1.4074 0.0793 0.8764 38.0725 0.8621 0.8431 0.1553 9.0556 9.7673 1.6983 17.6953 2.6936 0.6026 2.2929 24.5017 5.5294 0.7798 1.4899 2.7114 4.6542 3.0516 18.5614 2.8511 2.3151 9.9881 1.5425 1.3269 2.4596 29.0641 25.8137 8.4682 80.1061 16.5118 5.2002 52.5645 57.8387 163.4038 1.2707 27.3414 8.0803 0.5753 79.1342 91.8080 59.7558 8.4486 1.1391 17.6344 9.2244 64.0436 19.4976 10.0251 7.8426 3.2421 4.3350 10.1302 0.0830 1.1184 25.9950 2.2460 2.6147 61.7820 10.5947 13.6142 64.9281 334.8702 0.8202 5.8630 1.6239 6.0206 21.3436 4.3266 237.0094 246.1022 19.8394 28.1357 29.6923 26.5307 10.6632 4.8956 59.5718 28.0009 8.7301 66.4180 25.8217 7.5829 17.0399 51.5449 15.7524 1.7209 8.1262 1.3550 0.0390 32.9109 10.8767 11.5737 42.4694 26.5877 1.6945 15.1439 19.2329 6.3601 1.4282 1.6114 55.4577 1.5540 1.9012 0.3605 5.3824 1.9316 1.7297 5.1321 4.1870 0.5501 6.8831 3.1327 3.1045 0.7285 0.4301 1.8095 0.4881 0.2536 2.8708 0.0767 0.7501 2.0913 3.1360 0.0352 1.7655 1.9955 3.9160 0.6016 0.0193 1.9188 3.5319 0.8428 1.8140 1.1550 1.2735 4.3365 3.0101 0.3552 0.1903 0.0349 0.3655 0.7986 1.2637 1.4481 1.9301 0.0971 0.9311 1.6478 2.2377 2.4826 0.4158 4.6618 4.5187 3.8819 5.2348 4.4507 7.4046 1.4167 0.4180 0.6493 1.4459 8.1004 10.5181 4.1080 0.5928 2.9777 11.4749 2.2427 2.5349 2.2541 3.2036 5.9227 1.5551 7.3950 6.1598 5.2561 1.2995 1.1469 3.9509 0.1301 5.9566 7.6102 23.5166 25.4635 1.4819 3.3926 1.7154 0.3659 0.7480 0.1031 8.8738 4.2065 0.8564 6.7600 4.0766 5.5276 1.8477 9.0748 7.0971 0.2138 3.6640 2.2821 3.0383 4.8847 3.8828 4.6619 4.3954 2.5885 5.3644 6.6575 8.5110 1.7023 5.1420 5.0322 1.4640 2.2046 4.9287 15.9699 3.5325 3.2658 1.7577 2.3890 5.9564 0.8284 3.6051 1.8964 5.8445 2.8619 2.5441 10.9911 1.2378 2.4959 0.6391 0.9662 0.4832 3.9024 10.1651 23.3644 35.1850 14.7473 10.1133 11.7752 2.1376 0.4142 1.0878 1.0524 0.5725 0.8545 3.3464 10.6658 7.9910 43.1794 21.8667 29.6911 8.8249 1.3707 21.5810 3.4292 241.8199 101.4035 108.3856 10.9807 69.2294 44.1902 50.0661 101.9194 62.6014 18.7759 37.5360 103.8424 16.6898 22.6897 25.5573 91.7007 46.0096 64.6301 96.3644 53.0891 66.3684 41.3095 39.2116 228.0362 253.6156 38.5567 123.5769 58.3290 19.9231 0.7480 0.7424 0.6796 0.7498 0.6830 0.7479 0.7399 0.7453 0.7446 0.7280 0.7485 0.7490 0.7096 0.5743 0.5738 0.6994 0.7164 0.7500 0.7313 0.2179 0.6391 0.3830 0.4049 0.7385 0.6320 0.6497 0.6766 0.4423 0.6865 0.3995 0.4920 0.3304 0.4676 0.7055 0.1901 0.2353 0.6405 0.7460 0.6312 0.6702 0.7358 0.1593 0.2548 0.2326 0.3958 0.7000 0.7262 0.2949 0.4560 0.6507 0.1477 0.7156 0.6936 0.6097 0.5071 0.0679 0.3927 0.7178 0.7314 0.1862 0.0848 0.0203 0.3360 0.7469 0.4328 0.0584 0.2774 0.7495 0.3671 0.6329 0.1985 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0.7410 0.8309 0.8569 0.8427 0.8568 0.6200 0.3614 0.8377 0.7952 0.1906 0.1975 0.4004 0.2681 0.3421 0.1994 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 57 58 59 60 61 62 63 64 6 6 1 6 6 6 6 6 6 6 1 6 8 7 6 6 6 6 7 6 6 6 6 6 6 6 8 6 6 6 6 6 6 6 35 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 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 10460.6643 27334.1327 32727.3592 0.99979 -0.01967 0.00637 0.01964 0.99980 0.00346 -0.00644 -0.00334 0.99997 1 0.00828 0.00317 0.00265 0.17253 0.06603 0.05514 11.50 20.24 27.39 35.73 52.80 61.82 73.09 73.44 90.48 112.71 133.31 134.78 162.09 186.86 207.19 212.50 258.57 287.40 303.71 306.32 326.12 339.35 349.96 369.88 397.57 415.23 422.99 454.12 461.81 473.79 505.80 527.58 542.44 551.27 580.44 618.95 648.75 656.04 665.11 677.39 689.07 698.25 719.88 769.73 798.81 805.82 852.64 883.28 891.72 906.47 964.66 976.85 980.45 993.78 1009.09 1098.57 1122.03 1126.89 1129.02 1144.39 1182.50 1224.44 1229.74 1242.21 1258.37 1308.36 1326.01 1374.26 1374.37 1385.73 1387.30 1417.88 1448.59 1452.97 1475.38 1488.71 1498.65 1512.57 1522.07 1530.33 1545.04 1568.93 1574.09 1582.09 1585.79 1592.99 1604.02 1605.89 1614.78 1619.23 1623.27 1626.75 1646.20 1664.10 1667.10 1683.56 1695.20 1700.54 1705.91 1715.24 1718.26 1746.27 1762.38 1792.22 1819.03 1875.35 1878.15 1880.59 1885.95 1886.54 1904.89 1920.46 1926.26 1951.07 1978.41 1981.25 1984.76 2013.22 2069.51 2093.60 2098.39 2109.25 2126.61 2163.01 2182.20 2231.34 2235.69 2237.20 2248.01 2254.04 2261.19 2278.45 2324.86 2334.45 2335.10 2357.19 2357.55 2358.52 2361.71 2363.60 2372.56 2380.15 2401.27 2404.64 2406.23 2410.07 2501.37 2544.46 2565.23 2567.46 2591.28 2598.12 2606.05 2715.53 2766.38 4606.03 4614.28 4626.85 4635.27 4691.06 4692.46 4701.70 4702.44 4703.15 4725.07 4725.42 4771.55 4782.58 4787.45 4805.94 4820.53 4822.47 4833.01 4837.05 4848.17 4852.90 4856.59 4863.40 4868.13 4875.66 4875.93 4881.48 4897.35 4900.81 4951.12 5556.30 0.572858 0.602712 0.603657 0.506927 -3906.353032 -3906.323177 -3906.322233 -3906.418963 3.244340D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE C[C@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)C)N(c2ccccc2)C(=O)Cc3ccc(cc3)Br C36607873 RHF 6-31G(d) (6D,10F) C1 506.156890 |X|Y|Z| 39.744913 67.588924 112.027406 67.013215 23 6 7 22 1 |36.858105| |12.401571|36.858105| |8.879050|17.612648|0.500000| |7.592218|12.467449|0.249682|36.858105| |5.322770|7.523232|0.206814|13.707344|36.858105| |4.030571|4.994774|0.134238|7.886391|13.753971|36.858105| |3.771524|4.402817|0.111251|6.805877|7.932006|13.756033|36.858105| |4.367937|4.979396|0.116645|7.879308|6.897798|7.967288|13.757248|36.858105| |6.188575|7.474461|0.155565|13.685241|7.983670|6.900584|7.933603|13.749991|36.858105| |7.469124|12.361178|0.246663|7.573393|5.342807|4.023425|3.746134|4.318232|6.093678|36.858105| |6.988594|8.937467|0.175479|6.883997|4.739736|3.799817|3.756749|4.594839|6.638125|17.706447|0.500000| |4.865713|7.483330|0.189132|6.522863|5.389820|4.204297|3.834490|4.189716|5.353492|12.368540|0.247085|36.858105| |4.345378|6.600923|0.195688|6.051683|5.799173|4.444813|3.799102|3.870882|4.667484|7.944806|0.164336|15.784331|73.516695| |3.917018|5.229536|0.129617|5.033116|4.267701|3.655687|3.548573|3.959765|4.767989|7.862565|0.213653|14.197919|14.999939|53.358707| |3.037306|3.842719|0.100532|3.896346|3.605734|3.283998|3.203409|3.407948|3.767122|4.951135|0.134375|7.589133|11.661577|17.615707|36.858105| |2.727778|3.381320|0.092918|3.267384|3.123670|2.821062|2.671539|2.762155|3.041809|4.251966|0.109856|6.144420|10.831676|10.473503|12.419668|36.858105| |2.676315|3.184925|0.081841|3.240400|2.956277|2.782830|2.833921|3.086670|3.324344|4.010359|0.117089|5.139645|7.790344|10.814371|12.435282|7.604105|36.858105| |2.873916|3.651647|0.096905|4.027276|3.986010|3.827875|3.725753|3.770179|3.916385|4.237029|0.113925|6.159550|10.882781|10.533984|12.426890|7.549428|7.605353|36.858105| |6.203586|7.471352|0.189705|4.923728|3.935406|3.121770|2.912278|3.249880|4.200210|12.834731|0.258976|7.732223|10.773764|8.095187|4.207490|3.996479|3.563350|3.478631|53.358707| |5.537102|6.306111|0.192743|4.258742|3.675663|2.912166|2.638178|2.828386|3.511400|7.474391|0.157814|5.776591|9.665215|6.057308|3.492702|3.534276|2.949386|3.022667|18.028816|36.858105| |4.316481|5.234212|0.173930|3.895515|3.613620|2.887341|2.553355|2.645368|3.169933|5.889622|0.125792|5.625572|10.775004|5.853743|3.578523|3.846960|2.923049|3.143343|10.540099|13.730827|36.858105| |3.626412|4.093917|0.137000|3.234171|3.128609|2.570951|2.265872|2.303158|2.678983|4.209075|0.096023|4.055676|7.939398|4.488392|2.894888|3.144603|2.435594|2.636365|6.957203|7.928565|13.730019|36.858105| |3.582611|3.728466|0.121385|2.947393|2.820077|2.348886|2.097855|2.146625|2.489043|3.688993|0.087299|3.359085|6.290181|3.826391|2.464696|2.606746|2.140711|2.264372|6.140495|6.841208|7.914321|13.766042|36.858105| |4.191129|4.060464|0.127198|3.093681|2.847420|2.360772|2.142938|2.239787|2.642956|3.997400|0.096126|3.389829|6.043804|3.881171|2.435936|2.502953|2.150893|2.217538|6.971015|7.904609|6.867792|7.958489|13.743041|36.858105| |5.403204|5.183037|0.155766|3.665100|3.205093|2.602778|2.384325|2.553875|3.115691|5.357138|0.126154|4.161296|7.055757|4.665861|2.802140|2.814875|2.463504|2.494892|10.601523|13.699655|7.947683|6.901057|7.942630|13.768123|36.858105| |4.707680|5.123105|0.128406|3.894165|3.188464|2.665857|2.571433|2.899939|3.611695|7.882693|0.217429|6.004025|8.341547|7.661945|4.133837|3.948618|3.758574|3.273803|18.972914|7.754873|5.566455|4.103925|3.752219|4.251835|5.946072|36.858105| |4.318747|4.683408|0.112670|3.844439|3.108209|2.665226|2.647749|3.060019|3.788719|7.145272|0.238619|5.817357|7.754911|8.489400|4.495843|4.029004|4.352609|3.473123|11.531775|5.347133|4.264425|3.309116|3.044348|3.374123|4.402187|15.772202|73.516695| |3.668780|3.794281|0.100936|3.017201|2.597103|2.224791|2.140690|2.356839|2.813176|4.958261|0.133961|4.251664|6.519774|5.560731|3.347822|3.415255|3.140475|2.715241|10.333554|6.556057|5.098239|4.078611|3.874487|4.416159|5.792906|12.492269|14.416001|36.858105| |2.983935|3.217648|0.087789|2.680846|2.385652|2.077684|1.992594|2.154168|2.502420|4.138761|0.110035|4.000936|6.353390|5.468615|3.516967|3.846573|3.321090|2.784854|7.625184|5.191299|4.763044|3.915803|3.551166|3.722715|4.415650|7.586377|10.953580|12.529021|36.858105| |2.709877|2.935428|0.083093|2.465042|2.257592|1.970669|1.863015|1.973502|2.261168|3.580830|0.092035|3.569630|6.022087|4.714956|3.157355|3.618611|2.907974|2.584991|6.381078|4.938301|5.029719|4.413187|3.939728|3.901267|4.296594|5.368055|7.822070|7.535669|13.732804|36.858105| |2.307614|2.517141|0.071482|2.190040|2.047446|1.819741|1.724328|1.806181|2.027549|2.999936|0.077948|3.129834|5.412833|4.255333|3.016735|3.605035|2.820712|2.492853|4.951936|3.769710|4.034923|3.708642|3.286472|3.141956|3.326112|4.034045|6.340327|5.000093|7.888074|13.736366|36.858105| |2.155099|2.357767|0.065755|2.100379|1.960679|1.766927|1.695516|1.782975|1.981846|2.836271|0.075567|3.024395|5.143620|4.316463|3.170702|3.826656|3.087809|2.573814|4.494804|3.232685|3.375297|3.043338|2.714494|2.640785|2.843704|3.765530|6.292353|4.434494|6.863643|7.983818|13.808234|36.858105| |2.280034|2.491064|0.067858|2.225134|2.039692|1.840532|1.789362|1.910358|2.134833|3.082784|0.084418|3.267658|5.337315|4.866634|3.535990|4.103957|3.600531|2.770839|4.855825|3.290175|3.282343|2.858196|2.570704|2.576178|2.868490|4.319702|7.592114|5.002467|7.891631|6.884746|7.923779|13.764077|36.858105| |2.664219|2.892868|0.077535|2.513954|2.246468|1.996402|1.944727|2.110099|2.410892|3.720447|0.103090|3.774589|5.916527|5.581616|3.762557|4.119466|3.778583|2.896167|6.173779|3.984562|3.757671|3.149143|2.852330|2.949995|3.425002|6.087464|10.604921|7.526337|13.687077|7.970944|6.877935|7.977265|13.774044|36.858105| |1.795079|1.955722|0.054831|1.792717|1.708683|1.570185|1.510727|1.567607|1.704713|2.270615|0.060834|2.454840|4.284035|3.518873|2.704135|3.273481|2.681034|2.290589|3.433374|2.497546|2.651517|2.486060|2.242331|2.148263|2.248981|2.758902|4.736287|3.075046|4.075140|4.599196|6.693990|10.030562|6.688862|4.599834|2539.412838| |17.555852|8.731837|0.173104|6.767613|4.673802|3.774023|3.751439|4.606430|6.639753|6.826838|0.209527|4.534521|6.915358|5.297020|3.010049|2.645326|2.736310|2.827349|7.660751|4.667372|3.680501|3.107569|3.071656|3.577065|4.557683|4.700815|8.162636|3.620331|2.921708|2.592891|2.219765|2.107018|2.267139|2.667203|59.804074|0.500000| |17.636576|8.724043|0.213540|5.503258|4.281207|3.352392|3.123897|3.511597|4.631365|6.680344|0.168894|4.438821|7.147563|4.920469|2.844232|2.635690|2.524747|2.635693|9.217894|6.589596|4.750972|4.036589|4.164787|5.240693|7.240610|5.088621|7.811957|4.111034|3.223952|2.942540|2.453694|2.251646|2.364293|2.790985|63.089081|0.302251|0.500000| |17.569117|8.822672|0.211765|7.082521|5.485886|4.230103|3.902573|4.367367|5.804085|5.467324|0.142946|4.057024|6.790215|4.543923|2.700107|2.445629|2.392157|2.635273|6.358361|4.485555|3.751977|3.319658|3.337948|3.820168|4.545101|3.723149|6.169623|3.062249|2.571489|2.388104|2.071682|1.937637|2.027394|2.320217|55.964552|0.302100|0.302577|0.500000| |4.980818|7.013444|0.230939|8.929598|17.726793|8.937722|5.650030|4.965850|5.666092|5.053828|0.118689|5.211995|10.929717|5.444478|3.446383|3.128967|2.785458|3.756745|5.369636|3.903210|4.012163|3.536213|3.134112|3.079333|3.386414|3.135220|5.276010|2.605671|2.415185|2.332365|2.117056|2.000645|2.048983|2.242006|59.404197|0.116412|0.117421|0.143421|0.500000| |3.397877|4.083951|0.115075|5.628577|8.931042|17.711757|8.912642|5.655491|4.965909|3.399178|0.088445|3.622472|7.048637|4.346840|2.980179|2.638768|2.536630|3.520539|3.751590|2.641464|2.682838|2.447674|2.236480|2.211063|2.383399|2.378402|4.194382|2.030466|1.922084|1.848886|1.725850|1.674136|1.725976|1.848580|51.276411|0.087835|0.081320|0.099866|0.216166|0.500000| |3.129153|3.526339|0.091077|4.916750|5.640158|8.902807|17.713364|8.905225|5.641051|3.109486|0.087206|3.217433|5.711064|4.175697|2.873897|2.429285|2.605860|3.380202|3.415123|2.299115|2.244621|2.022971|1.883871|1.914731|2.101823|2.261684|4.156402|1.919712|1.805793|1.697413|1.587232|1.569586|1.652448|1.776928|48.197223|0.087210|0.074071|0.090263|0.124201|0.214469|0.500000| |3.772100|4.069241|0.096407|5.624205|4.964291|5.654854|8.911113|17.709555|8.927913|3.725597|0.113749|3.604678|5.848329|4.860350|3.148192|2.553289|2.982050|3.439243|3.970552|2.532145|2.357935|2.070428|1.947506|2.041238|2.317514|2.692362|5.150973|2.217488|2.033022|1.852838|1.705123|1.698363|1.831727|2.016897|51.128899|0.114521|0.086729|0.104140|0.107733|0.124160|0.214489|0.500000| |6.459215|6.908158|0.139903|8.879099|5.655131|4.965613|5.658028|8.969228|17.705424|6.310042|0.218141|5.115062|7.518998|6.511806|3.688134|2.972935|3.388846|3.636544|6.043798|3.561533|3.104994|2.608338|2.454097|2.660330|3.198280|3.963642|7.665808|3.028991|2.636356|2.332220|2.072319|2.035218|2.224131|2.552507|58.993274|0.221418|0.135693|0.157534|0.124159|0.107731|0.124410|0.217249|0.500000| |3.963054|4.966273|0.118840|4.654901|3.807127|3.307290|3.312564|3.832066|4.671605|7.715560|0.247082|9.572914|10.926377|26.031013|8.992136|6.109308|7.855334|5.885638|8.379896|4.353537|3.979870|3.087229|2.705491|2.814265|3.439731|6.490643|14.696725|4.493635|4.289110|3.520838|3.128951|3.214229|3.761715|4.496278|87.759825|0.113841|0.102468|0.092260|0.097942|0.080052|0.080218|0.098891|0.139335|0.500000| |2.709868|3.276842|0.089630|3.050188|2.848906|2.549691|2.432797|2.555829|2.855288|4.239664|0.110678|5.674503|9.444996|9.555322|8.784442|17.551655|6.943200|5.488961|5.805760|3.741575|4.014378|3.252019|2.707830|2.619872|2.969586|4.453721|8.041316|3.959799|4.740540|4.368763|4.392733|4.827225|5.355511|5.303098|132.097622|0.073393|0.074162|0.066771|0.079399|0.066017|0.061489|0.066241|0.079361|0.171922|0.500000| |2.373188|2.864640|0.079035|2.831979|2.765939|2.573656|2.460177|2.508622|2.683694|3.440225|0.090742|4.623329|8.357198|7.598341|8.808532|17.542517|6.950135|6.873199|4.432295|2.955369|3.213820|2.740440|2.311847|2.209983|2.435411|3.253893|5.949547|2.916026|3.301673|3.172171|3.279531|3.570414|3.765777|3.602419|111.043253|0.064308|0.063741|0.060084|0.076931|0.068013|0.063346|0.065276|0.072689|0.131851|0.301021|0.500000| |2.840712|3.600900|0.102587|3.439968|3.378998|2.992862|2.744079|2.778302|3.076952|4.405968|0.108342|6.563750|13.352632|9.375864|8.781445|17.619510|5.512776|6.890621|5.649091|3.838614|4.425780|3.597416|2.883346|2.700999|3.002433|3.875725|6.699396|3.369343|3.742095|3.668015|3.621646|3.654292|3.728693|3.777852|106.633621|0.074732|0.076470|0.071172|0.096959|0.078543|0.068834|0.070080|0.081823|0.147921|0.300680|0.301134|0.500000| |2.744966|3.225327|0.080997|3.387234|3.041422|2.915040|3.070449|3.436055|3.642774|3.977421|0.121264|4.838132|7.202025|9.804998|8.769708|5.504353|17.544740|6.942867|4.650961|2.798736|2.712318|2.276098|2.032095|2.067438|2.377119|3.584677|7.573377|2.951835|3.003093|2.616072|2.501218|2.695399|3.126084|3.351943|80.101422|0.079554|0.070795|0.068354|0.077627|0.072833|0.078619|0.094294|0.104708|0.212845|0.141343|0.141361|0.122912|0.500000| |2.339480|2.742114|0.071831|2.816246|2.648571|2.546662|2.589590|2.750240|2.876710|3.307736|0.094766|4.143384|6.689251|7.728310|8.812873|6.931698|17.572148|6.927925|4.091439|2.583312|2.608944|2.227969|1.964731|1.953642|2.194385|3.142435|6.268000|2.735701|2.944852|2.653614|2.648162|2.938707|3.355983|3.360545|90.735366|0.066026|0.061666|0.059061|0.070056|0.065764|0.067476|0.074406|0.080360|0.151352|0.171162|0.208584|0.141410|0.301327|0.500000| |2.653794|3.088622|0.079318|3.021957|2.714384|2.517597|2.551608|2.805273|3.082012|3.986353|0.117823|4.832743|7.190498|9.770921|8.764219|6.937015|17.536200|5.503570|5.084916|3.055038|2.981897|2.475307|2.188622|2.217168|2.557307|4.172532|8.866227|3.537661|3.833811|3.245136|3.142959|3.536796|4.350111|4.617750|101.415655|0.075794|0.070801|0.065234|0.071744|0.063825|0.065106|0.075652|0.089399|0.222608|0.208585|0.171824|0.141289|0.300428|0.301489|0.500000| |3.016029|3.949218|0.108353|4.402466|4.610296|4.347288|3.979141|3.853375|4.029437|4.399168|0.112577|6.600263|13.476836|9.441012|8.779513|6.867905|5.512579|17.626863|4.866497|3.200943|3.425808|2.878073|2.433455|2.348231|2.619517|3.226565|5.865197|2.684959|2.733574|2.591026|2.485528|2.506133|2.633535|2.758281|75.862869|0.080336|0.076593|0.077570|0.124226|0.112690|0.098774|0.094402|0.100345|0.143951|0.140421|0.169220|0.205425|0.141517|0.141214|0.122869|0.500000| |2.469825|3.027860|0.081541|3.296724|3.327723|3.290015|3.230203|3.209687|3.241537|3.433081|0.093033|4.633293|8.393172|7.623588|8.818556|6.892844|6.942082|17.540861|4.019883|2.632439|2.764017|2.380636|2.060209|2.003625|2.216457|2.838068|5.335212|2.436699|2.546586|2.397840|2.367590|2.480083|2.647098|2.687154|77.476809|0.067682|0.063753|0.063722|0.088584|0.086744|0.084212|0.083366|0.084580|0.128777|0.140730|0.206037|0.170467|0.171557|0.208135|0.141257|0.300759|0.500000| |2.965247|3.724393|0.095819|4.340269|4.226169|4.221264|4.343422|4.488130|4.487114|4.208550|0.117958|5.684340|9.482292|9.626352|8.798013|5.491427|6.963900|17.557188|4.554646|2.865061|2.890447|2.441112|2.139661|2.128726|2.407887|3.157832|6.088445|2.590394|2.588552|2.373418|2.263708|2.331789|2.534147|2.688012|70.613285|0.082596|0.074082|0.075932|0.105509|0.105034|0.109400|0.114851|0.114723|0.161309|0.122931|0.140621|0.140636|0.209468|0.171559|0.141600|0.301266|0.300617|0.500000| |3.962829|5.100763|0.165516|4.009466|3.789027|3.042022|2.676156|2.749403|3.263392|6.068835|0.128487|6.812533|14.225347|6.904202|4.279812|4.795932|3.328302|3.698455|9.671197|8.927168|17.793605|8.920599|5.644101|4.955290|5.654276|5.354471|7.661717|4.708858|4.722013|4.937659|4.164512|3.580803|3.488228|3.908354|96.154812|0.096156|0.114703|0.096300|0.116867|0.078688|0.065317|0.067802|0.087618|0.123955|0.136743|0.107633|0.162471|0.083917|0.082272|0.093159|0.114006|0.089372|0.091568|0.500000| |3.108065|3.545001|0.117452|2.949670|2.947427|2.471409|2.166386|2.165764|2.465416|3.626745|0.084316|3.698373|7.507392|4.186132|2.803388|3.124201|2.350106|2.596513|5.651501|5.649630|8.941286|17.721578|8.916572|5.652264|4.966920|3.476715|5.175603|3.466095|3.493067|4.028896|3.599549|2.972562|2.731607|2.908955|85.302607|0.075237|0.093056|0.080717|0.093500|0.066526|0.054242|0.054211|0.065986|0.078896|0.088573|0.076920|0.101241|0.060579|0.060614|0.065790|0.079529|0.066055|0.066035|0.216002|0.500000| |3.059475|3.140118|0.100775|2.584820|2.522995|2.146329|1.921473|1.946503|2.214994|3.066212|0.074291|2.855083|5.383541|3.327733|2.193099|2.328343|1.926364|2.043606|4.894355|4.935592|5.634203|8.911246|17.718862|8.905666|5.646611|3.108703|4.628963|3.247653|3.056538|3.431650|2.980068|2.479907|2.321694|2.519756|71.704301|0.074074|0.096731|0.081333|0.077900|0.057529|0.048437|0.049365|0.060454|0.065398|0.066811|0.058364|0.071271|0.050905|0.049682|0.054539|0.060943|0.052289|0.053748|0.124132|0.214650|0.500000| |3.794254|3.506805|0.106797|2.765683|2.558038|2.162505|1.984185|2.074197|2.416120|3.391743|0.084457|2.889156|5.113569|3.392824|2.157511|2.200049|1.939857|1.983284|5.666132|5.635417|4.949544|5.650767|8.899772|17.719985|8.936511|3.640454|5.318739|3.850460|3.256943|3.387469|2.794335|2.382178|2.329347|2.642762|67.144791|0.092062|0.131488|0.098926|0.075976|0.056538|0.049664|0.053020|0.067966|0.069032|0.063829|0.054699|0.065153|0.052208|0.049275|0.055575|0.057927|0.050199|0.053353|0.107567|0.124102|0.214294|0.500000| |5.832313|5.006778|0.139611|3.589074|3.058269|2.518572|2.356891|2.572897|3.157608|5.143497|0.129323|3.837157|6.283531|4.445160|2.655598|2.605834|2.393268|2.366673|9.787271|8.923596|5.654362|4.967333|5.649455|8.927705|17.727254|6.031422|8.162152|5.844159|4.184188|3.877282|3.035866|2.663376|2.748272|3.325773|72.080677|0.142544|0.234694|0.133388|0.087205|0.063547|0.057815|0.065601|0.092590|0.093694|0.076453|0.063118|0.075504|0.065108|0.059039|0.069407|0.068007|0.058503|0.064469|0.124344|0.107774|0.124176|0.215764|0.500000| |3.728991|3.750673|0.102938|2.930272|2.554892|2.175356|2.068719|2.251649|2.680444|4.588589|0.119460|3.873404|6.189143|4.850154|2.966052|3.056816|2.736638|2.487102|9.659579|7.458406|5.589535|4.658746|4.654286|5.591142|7.444545|8.718238|10.506749|17.696289|8.911123|7.313033|4.779064|3.998075|4.191674|5.604172|97.732619|0.099305|0.121048|0.087407|0.072316|0.055508|0.051565|0.058515|0.079115|0.105048|0.095901|0.073397|0.086159|0.071906|0.067327|0.083351|0.069580|0.062294|0.065969|0.133102|0.106245|0.106127|0.133597|0.204652|0.500000| |3.399075|3.380949|0.088234|2.769984|2.378838|2.072604|2.027221|2.252009|2.660968|4.263099|0.122005|3.646010|5.583678|4.936000|3.027897|3.019011|2.956296|2.488854|7.936860|4.984643|3.987522|3.349102|3.281263|3.777130|4.765436|9.125903|13.664467|17.591695|8.894107|5.817083|4.277320|3.999816|4.665027|6.903280|97.797146|0.096451|0.104904|0.079682|0.065439|0.052540|0.050864|0.059758|0.080990|0.113674|0.096101|0.073203|0.081237|0.078650|0.071976|0.093325|0.067501|0.062630|0.067003|0.103715|0.080848|0.078671|0.095820|0.142990|0.302579|0.500000| |2.816059|3.012354|0.087112|2.486515|2.289929|1.982108|1.855450|1.954183|2.246760|3.556979|0.089602|3.447548|5.945935|4.372969|2.890340|3.255405|2.619304|2.434811|6.470958|5.539615|5.747407|5.335213|4.873529|4.755649|5.026755|5.065684|7.135808|6.986499|8.911932|17.720810|8.956484|5.677054|4.958436|5.654942|130.359289|0.073520|0.086725|0.069287|0.066535|0.051813|0.046858|0.050670|0.063971|0.089579|0.104549|0.079550|0.094382|0.066453|0.066559|0.079253|0.068956|0.062505|0.062496|0.145515|0.131238|0.116118|0.112509|0.121148|0.223835|0.148918|0.500000| |2.144665|2.330510|0.067129|2.043741|1.940198|1.732325|1.631600|1.690972|1.882172|2.695867|0.069557|2.818830|5.006331|3.770584|2.706924|3.239235|2.510872|2.303450|4.361214|3.437053|3.801446|3.695302|3.292127|3.050560|3.103666|3.405982|5.370328|4.080900|5.624857|8.897613|17.752493|8.930555|5.642839|4.957305|219.723367|0.056872|0.063368|0.054190|0.056242|0.046048|0.041902|0.044287|0.052966|0.075899|0.105368|0.083557|0.092582|0.062321|0.066420|0.075982|0.064571|0.061314|0.058106|0.108086|0.103008|0.085060|0.075981|0.077965|0.113582|0.098772|0.215814|0.500000| |2.104813|2.292922|0.061994|2.093878|1.927649|1.763670|1.731867|1.849380|2.039983|2.802561|0.078107|3.000568|4.898660|4.594422|3.458227|3.944748|3.708490|2.728849|4.243470|2.842496|2.829110|2.489089|2.256207|2.264148|2.506938|3.716997|6.840477|4.081012|5.624351|4.960746|5.645415|8.919587|17.751090|8.910672|219.766834|0.058704|0.059904|0.052380|0.053371|0.046035|0.044746|0.049702|0.059105|0.099262|0.139731|0.104395|0.096723|0.089236|0.098415|0.126783|0.070807|0.073671|0.069694|0.083901|0.066683|0.057186|0.057496|0.067488|0.096336|0.110042|0.107662|0.124234|0.500000| 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