Version2.1 2020-12-17T17:40:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)c2nc(c(o2)C)C[NH+]3CCC[C@@H](C3)C(=O)N[C@@H]4CCCc5c4cccc5 C20241037 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)c2nc(c(o2)C)C[NH+]3CCC[C@@H](C3)C(=O)N[C@@H]4CCCc5c4cccc5 C01[X(C28H34N3O2)] 195 C1 563 Cc1cccc(c1)c1nc(c(o1)C)C[NH+]1CCC[C@@H](C1)C(=O)N[C@@H]1CCCc2c1cccc2 Cc1cccc(c1)c1nc(c(o1)C)C[NH+]1CCC[C@@H](C1)C(=O)N[C@@H]1CCCc2c1cccc2 Cc1cccc(c1)c2oc(C)c(C[NH+]3CCC[C@@H](C3)C(=O)N[C@@H]4CCCc5ccccc45)n2 InChIKey=RKGGBSVKGXHFPX-UKILVPOCSA-O InChI=1S/C28H33N3O2/c1-19-8-5-11-22(16-19)28-30-26(20(2)33-28)18-31-15-7-12-23(17-31)27(32)29-25-14-6-10-21-9-3-4-13-24(21)25/h3-5,8-9,11,13,16,23,25H,6-7,10,12,14-15,17-18H2,1-2H3,(H,29,32)/p+1/t23-,25+/m0/s1 InChI=1/C28H33N3O2/c1-19-8-5-11-22(16-19)28-30-26(20(2)33-28)18-31-15-7-12-23(17-31)27(32)29-25-14-6-10-21-9-3-4-13-24(21)25/h3-5,8-9,11,13,16,23,25H,6-7,10,12,14-15,17-18H2,1-2H3,(H,29,32)/p+1/t23-,25+/m0/s1/fC28H34N3O2/h29,31H/q+1 Cc1cccc(c1)c2nc(c(o2)C)C[NH+]3CCC[C@@H](C3)C(=O)N[C@@H]4CCCc5c4cccc5 C01[X(C28H34N3O2)] 195 C01 563 Cc1cccc(c1)c1nc(c(o1)C)C[NH+]1CCC[C@@H](C1)C(=O)N[C@@H]1CCCc2c1cccc2 C[C]1[CH][CH][CH][C]([CH]1)c1nc(c(o1)C)C[NH]1CCC[C@@H](C1)[C]([NH][C@@H]1CCC[C]2[C]1[CH][CH][CH][CH]2)=O C[C]1[CH][CH][CH][C]([CH]1)c2oc(C)c(C[NH]3CCC[C@@H](C3)C(=O)N[C@@H]4CCC[C]5[CH][CH][CH][CH][C]45)n2 InChIKey=FDNYLMWRQYJJAX-UKILVPOCSA-N InChI=1S/C28H34N3O2/c1-19-8-5-11-22(16-19)28-30-26(20(2)33-28)18-31-15-7-12-23(17-31)27(32)29-25-14-6-10-21-9-3-4-13-24(21)25/h3-5,8-9,11,13,16,23,25,31H,6-7,10,12,14-15,17-18H2,1-2H3,(H,29,32)/t23-,25+/m0/s1 InChI=1/C28H34N3O2/c1-19-8-5-11-22(16-19)28-30-26(20(2)33-28)18-31-15-7-12-23(17-31)27(32)29-25-14-6-10-21-9-3-4-13-24(21)25/h3-5,8-9,11,13,16,23,25,31H,6-7,10,12,14-15,17-18H2,1-2H3,(H,29,32)/t23-,25+/m0/s1/f/h29H 3210.9679006774 -1393.0568824 1-A 22649.7607 119 444 563 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.75391 -20.62801 -15.83095 -15.68381 -15.67617 -11.45527 -11.45253 -11.43624 -11.42897 -11.42008 -11.41830 -11.38492 -11.37866 -11.37170 -11.36219 -11.35172 -11.34534 -11.34118 -11.32592 -11.32551 -11.32347 -11.31850 -11.31727 -11.30852 -11.30639 -11.30014 -11.29577 -11.29505 -11.29489 -11.29458 -11.29193 -11.29143 -11.28916 -1.61704 -1.49809 -1.47879 -1.35793 -1.33950 -1.25926 -1.24601 -1.23139 -1.20744 -1.19638 -1.16559 -1.13941 -1.13426 -1.11676 -1.11127 -1.07786 -1.06092 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.00053 0.05574 0.06384 0.06973 0.07595 0.08195 0.08399 0.09807 0.11475 0.11846 0.12974 0.14147 0.14955 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3247.3543 3254.1815 3255.9908 3261.1997 3269.1123 3269.1470 3274.3469 3279.6997 3285.1945 3289.7879 3290.6188 3303.0711 3306.3352 3325.4173 3333.7711 3355.0320 3360.3095 3364.3673 3367.8936 3375.4542 3384.0901 3390.5645 3393.8952 3404.0918 3639.2813 3865.7331 5.2070 4.8315 3.8512 3.6184 1.0904 4.5087 5.5792 3.7486 5.2450 4.4274 3.8523 3.6816 3.1505 1.5289 1.8332 3.0431 3.4258 4.4298 3.3730 2.9595 3.5937 4.6128 3.3752 3.1366 2.4350 1.9971 3.4997 5.1945 4.1432 3.9204 3.6532 3.4232 3.6347 3.5126 2.4203 3.0809 2.9325 2.9868 3.1946 2.9705 1.9991 1.6939 3.6437 3.4626 3.9927 3.8478 2.9236 2.9242 3.4275 4.7227 5.0672 5.5114 3.7858 2.8354 3.8276 3.5107 4.0183 3.4990 1.6950 2.9622 2.2885 2.8519 1.7048 1.7632 2.9250 2.1477 1.9542 2.4746 2.2418 1.4727 2.2430 1.9953 1.3320 1.9090 1.7110 1.7424 2.5064 2.4592 1.4413 2.3541 3.3381 2.8147 2.2416 1.3444 1.3359 2.3431 2.3560 2.1002 2.5964 2.9285 1.6020 1.5439 2.4336 2.5882 2.7431 2.0587 2.1209 2.1110 1.9371 1.2159 2.1307 2.1831 1.8678 1.4466 1.6898 1.9433 1.6843 1.6718 2.1360 1.9170 2.4263 1.5868 1.3780 1.6664 1.3384 1.2640 1.3097 3.7744 1.2935 1.3811 1.3177 1.2368 1.3228 1.3494 1.6140 3.0187 1.4720 1.5104 1.3821 1.4293 1.4821 1.4563 1.2580 1.3936 1.7495 2.0488 1.2700 1.2428 1.0426 2.2502 1.0666 1.1183 1.0440 1.1120 1.0911 1.1053 1.1095 1.1662 1.1235 1.1081 1.0936 2.3401 2.2201 2.0831 8.6204 6.1646 5.3194 5.4354 5.8972 9.0926 9.4031 1.0710 1.0722 1.0851 1.0645 1.0720 1.0374 1.0362 1.0653 1.0929 1.0975 1.0977 1.0634 1.0670 1.1021 1.0893 1.0910 1.1027 1.1038 1.1030 1.0605 1.1037 1.1101 1.1076 1.0873 1.0902 1.0899 1.1120 1.0941 1.0933 1.0986 1.0921 1.0958 1.0784 1.0790 0.0001 0.0004 0.0008 0.0016 0.0006 0.0042 0.0064 0.0048 0.0083 0.0185 0.0191 0.0246 0.0313 0.0197 0.0244 0.0486 0.0607 0.1031 0.1030 0.0934 0.1226 0.1623 0.1321 0.1523 0.1199 0.1202 0.2143 0.3409 0.3208 0.3281 0.3348 0.3417 0.3773 0.4273 0.3264 0.4268 0.4110 0.4354 0.4701 0.4542 0.3439 0.2991 0.6603 0.6760 0.8096 0.8373 0.6742 0.7337 0.8734 1.3455 1.5625 1.7781 1.2840 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0.3489 0.6861 0.2801 0.1048 0.0674 2.9527 1.8679 1.6917 2.5333 3.2914 0.6476 2.3229 1.1498 0.6654 1.1905 9.1013 2.2086 3.8425 0.2601 0.3356 0.8847 0.7964 5.6370 1.7737 8.0815 1.2112 7.0228 5.3104 14.7320 5.0504 0.6379 1.8413 2.2262 2.6578 0.6250 0.7757 1.1885 21.1014 15.7857 6.9332 17.4459 72.8699 3.0783 0.3114 1.3321 1.9058 6.9643 11.5887 0.4135 13.3634 1.2794 3.1732 10.6493 4.5825 1.1054 7.3686 20.0601 17.5526 58.5589 5.6397 6.8524 5.6421 12.1456 2.3085 4.7971 10.0441 1.6966 10.4118 3.1871 0.3530 9.8576 2.0489 3.0423 34.7767 7.8000 20.1493 15.6880 23.1504 0.1425 6.9199 2.8889 4.1455 3.1678 0.0151 0.0850 3.4608 6.2563 1.9739 14.9175 29.3762 5.4851 2.9863 1.8092 16.4920 1.2599 10.9106 4.0335 20.3589 5.6494 2.3490 6.7213 1.9800 17.1455 15.5916 0.0361 2.8930 54.7531 0.9131 3.6549 13.2550 64.1694 4.1811 13.3205 31.9130 2.5024 7.1614 7.3232 7.9995 8.1939 4.1235 6.4563 4.1265 7.4486 6.5400 37.7338 71.9504 7.6003 7.3356 2.4002 1.7263 3.0592 4.1709 1.0739 2.3733 22.1935 19.4636 193.0388 39.0200 4.9460 10.0454 15.5709 4.6028 5.7537 10.1921 17.1044 8.9896 12.3464 9.4634 10.8808 2.2041 21.2929 21.2232 20.9270 596.7640 275.3784 0.7542 0.5242 1.0985 57.5726 29.0238 314.7573 15.7055 27.9152 8.1363 34.4269 14.2023 28.1047 12.8876 18.5473 40.1784 21.8258 57.7753 1.0533 5.9439 22.5056 15.9542 17.9506 21.6802 5.9095 18.4084 1.5211 13.7476 4.8450 7.8442 12.5056 3.1717 5.0891 2.9428 34.3890 15.8069 24.3593 2.6081 8.0855 102.5394 35.4219 2.5135 3.4258 6.2260 2.3785 0.1297 0.9118 0.7348 2.3961 0.7102 2.6519 0.6198 0.6584 2.9498 0.6109 0.4511 0.4198 1.6802 3.0393 2.3333 1.3244 2.4387 1.7259 0.9398 1.1540 0.2431 1.1087 1.6100 2.2872 0.9126 0.9575 1.9584 1.2917 0.3589 1.7419 3.9875 0.4709 0.8373 0.6078 1.4419 2.4161 3.0092 5.4356 2.0257 2.8049 0.6244 1.6114 2.0576 1.4200 2.1010 7.9375 4.5412 2.4668 6.2644 2.8503 2.9783 0.8702 5.2233 8.3878 3.2314 5.4567 3.9018 4.7571 1.1902 1.9868 15.6509 3.5097 1.5702 5.4179 0.3837 2.0999 1.9701 1.8167 1.4885 2.6012 2.1322 1.5375 7.4328 2.5319 1.6388 14.7532 38.8475 8.2960 3.9385 0.5554 0.1104 4.6863 21.5314 15.7016 11.5001 6.9163 0.6542 0.5940 2.9922 4.6971 6.7967 6.9876 5.0612 15.3282 1.7154 3.3667 9.0281 4.9192 2.7177 3.0740 2.8279 6.5593 12.3272 8.1658 12.8988 1.5664 30.5483 6.6291 7.5160 18.3536 5.2000 6.3655 5.3810 17.7657 6.8105 6.4851 7.0998 13.5830 3.8919 8.0972 10.4334 109.7814 7.2615 1.9270 8.2044 1.4559 3.9090 5.0879 14.1199 7.4653 37.7302 3.3958 25.2523 5.5428 16.7309 0.4644 24.9500 17.1939 18.7101 6.0881 6.0573 4.0001 19.9692 17.2659 13.5491 1.3950 3.7266 1.3776 1.7824 7.1673 347.5010 10.0960 93.9770 22.2624 477.4947 93.1706 5.5957 46.8610 133.4314 35.0929 38.5890 105.2379 150.0883 178.9866 30.9944 105.9744 45.0703 129.2425 20.4500 102.0581 97.8390 63.5379 182.0871 62.3012 97.6095 54.0819 67.3927 62.1855 36.1189 71.9361 20.1185 138.3893 76.7701 30.6743 50.4737 112.1278 254.7299 38.1626 98.8735 36.0061 25.0952 0.7477 0.7457 0.7475 0.7476 0.7421 0.7490 0.7500 0.7484 0.6565 0.7490 0.7454 0.7244 0.7233 0.7500 0.7487 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12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11031.6594 32651.0235 37825.3915 1.00000 -0.00065 0.00239 0.00069 0.99986 -0.01669 -0.00238 0.01669 0.99986 1 0.00785 0.00265 0.00229 0.16360 0.05527 0.04771 8.71 16.83 27.15 39.05 42.52 57.25 63.47 67.25 74.68 121.20 131.94 153.14 186.84 212.91 216.18 236.87 249.48 285.95 327.54 332.95 346.15 351.60 370.88 413.06 415.98 459.86 463.78 480.20 521.54 542.22 567.43 592.22 603.89 653.80 688.37 697.67 701.72 715.70 719.02 732.93 777.47 787.67 797.95 828.21 844.07 874.38 900.13 938.93 946.18 1000.51 1040.88 1064.68 1091.61 1095.57 1126.83 1181.13 1197.02 1212.19 1224.15 1230.46 1262.21 1272.19 1307.13 1341.80 1347.39 1349.15 1398.29 1400.03 1416.52 1433.99 1449.75 1455.73 1461.77 1486.68 1523.88 1525.02 1540.62 1551.55 1562.03 1563.44 1571.20 1575.35 1593.17 1617.74 1620.69 1622.56 1636.09 1648.80 1672.10 1675.36 1687.07 1695.21 1701.84 1720.79 1734.74 1745.49 1748.64 1758.81 1778.26 1796.85 1808.09 1815.79 1835.98 1837.67 1866.43 1894.47 1897.51 1911.67 1919.20 1922.55 1940.77 1966.68 1972.48 1987.02 1993.36 2034.45 2046.38 2076.10 2085.97 2107.70 2111.99 2124.39 2139.30 2145.61 2165.18 2172.50 2184.15 2189.80 2192.83 2209.65 2217.42 2246.40 2260.09 2269.00 2270.86 2272.23 2304.59 2314.19 2319.44 2330.97 2344.09 2344.41 2345.45 2348.29 2350.64 2358.15 2359.63 2359.71 2370.00 2376.11 2386.74 2396.92 2400.64 2461.52 2549.21 2557.36 2574.50 2606.02 2615.97 2698.27 2778.43 4587.55 4593.33 4608.40 4612.75 4621.13 4621.30 4636.99 4644.10 4672.22 4682.04 4684.64 4692.14 4703.52 4703.57 4711.05 4718.76 4726.66 4733.27 4734.47 4752.38 4757.08 4784.53 4796.55 4827.14 4834.74 4840.57 4845.65 4856.53 4868.95 4878.27 4883.06 4897.73 5236.11 5561.93 0.623152 0.651503 0.652447 0.557682 -1392.433730 -1392.405380 -1392.404435 -1392.499200 3.178434D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE Cc1cccc(c1)c2nc(c(o2)C)C[NH+]3CCC[C@@H](C3)C(=O)N[C@@H]4CCCc5c4cccc5 C20241037 RHF 6-31G(d) (6D,10F) C1 444.265103 |X|Y|Z| 68.448371 42.777408 127.022253 71.914941 30 6 7 8 26 3 1 |36.858105| |12.607319|36.858105| |7.554776|13.681154|36.858105| |5.009969|7.872387|13.760974|36.858105| |4.417018|6.798938|7.942934|13.779342|36.858105| |5.002007|7.884017|6.906974|7.965919|13.717262|36.858105| |7.543068|13.746229|7.990500|6.886866|7.900049|13.679205|36.858105| |3.805851|5.070332|4.510176|5.106650|7.730186|12.997129|7.678692|36.858105| |3.065777|3.901038|3.721936|4.396430|6.450063|7.696813|5.155468|14.883436|53.358707| |2.704145|3.250458|3.021204|3.372185|4.446723|5.351010|4.192261|9.014051|18.687563|36.858105| |2.928256|3.441502|3.043936|3.236819|4.122524|5.368234|4.588130|8.812939|11.651048|14.267905|36.858105| |3.697651|4.536430|3.805116|3.968708|5.198760|7.905151|6.769802|14.284278|11.918183|8.861411|14.045120|73.516695| |2.623580|2.920267|2.565356|2.640476|3.167946|3.943234|3.696330|5.355476|6.997709|7.265593|12.804476|13.919418|36.858105| |2.240922|2.622240|2.512417|2.814582|3.536735|3.890613|3.183115|5.423585|10.514281|12.779116|7.363567|9.339242|5.569142|36.858105| |2.143253|2.519985|2.481763|2.838018|3.539401|3.676457|2.979473|4.767663|9.262125|7.837543|5.214686|7.616785|4.112535|12.679733|53.358707| |2.311717|2.780797|2.784448|3.281027|4.226467|4.247533|3.298324|5.479419|11.542067|7.874516|5.142318|8.052548|3.871538|9.478697|25.608486|0.500000| |1.859479|2.148301|2.150087|2.448268|2.933581|2.942885|2.458285|3.562220|6.338373|5.079343|3.818416|5.793513|3.256277|7.633514|17.308486|0.257589|36.858105| |1.766070|2.033220|2.072212|2.372340|2.774892|2.694462|2.273467|3.099791|5.273445|3.909298|3.108220|4.965357|2.687133|4.967066|10.444074|0.197965|12.510530|36.858105| |1.746001|1.991131|2.011986|2.266895|2.619140|2.583440|2.220473|2.947793|4.838802|3.631616|3.000058|4.816010|2.644717|4.372479|8.849210|0.163793|7.542415|12.464103|36.858105| |1.980055|2.282520|2.279687|2.568299|3.028969|3.049729|2.592212|3.550132|5.859819|4.367360|3.581552|5.760741|3.071242|4.958542|10.375192|0.197289|6.479005|7.552349|12.386921|36.858105| |2.123002|2.487122|2.526053|2.905443|3.451857|3.372228|2.810287|3.825757|6.319462|4.345694|3.546262|5.946817|2.955647|4.617857|9.358284|0.208767|5.685766|6.794417|8.833908|17.508983|0.500000| |2.110654|2.444848|2.381584|2.663238|3.236474|3.419670|2.871152|4.293458|7.443489|6.234018|4.811718|7.169506|4.013572|7.652867|17.263833|0.258141|7.675668|6.524102|7.554085|12.474514|0.246566|36.858105| |1.884666|2.125153|2.099365|2.300615|2.633135|2.694307|2.382155|3.052208|4.713769|3.570897|3.154405|5.150443|2.839189|3.845205|6.792185|0.129474|4.418372|4.917179|7.551051|12.442210|0.245373|7.726885|36.858105| |1.821739|2.026436|1.969610|2.122125|2.419471|2.535430|2.283227|2.908324|4.415236|3.501972|3.193942|5.096267|2.989358|3.794409|6.254200|0.114310|4.070430|4.206244|5.894931|8.042281|0.166202|7.106306|15.822981|73.516695| |1.832667|2.053665|2.056222|2.247175|2.508976|2.512164|2.250578|2.732725|4.105164|2.990101|2.694450|4.559829|2.434404|3.115937|5.304553|0.106648|3.579640|4.147665|5.950358|7.830527|0.205172|5.214084|14.240903|15.043636|53.358707| |1.713193|1.880908|1.871372|2.001975|2.185606|2.206141|2.032756|2.358004|3.433705|2.523099|2.353641|4.022681|2.188999|2.587270|4.158621|0.083221|2.846069|3.181921|4.205543|4.973629|0.131659|3.893930|7.718614|11.940555|17.690300|36.858105| |1.624914|1.772057|1.748243|1.859497|2.036235|2.078846|1.924732|2.250484|3.283717|2.472075|2.322096|3.904093|2.201160|2.575010|4.082570|0.079700|2.828512|3.106778|4.121017|4.708547|0.117738|3.853978|7.447233|13.612941|12.684853|17.604433|0.500000| |1.852190|2.016501|1.985414|2.089346|2.260245|2.311645|2.170946|2.434285|3.440373|2.507345|2.402299|4.193503|2.244074|2.474911|3.844858|0.078063|2.546014|2.736676|3.399038|4.169834|0.115314|3.549457|5.844992|9.770369|10.526640|12.450244|0.247767|36.858105| |1.685923|1.799877|1.772606|1.838247|1.949512|1.989268|1.905304|2.063463|2.876230|2.101824|2.045137|3.592867|1.948015|2.074940|3.142953|0.063735|2.128582|2.273972|2.733882|3.153559|0.087036|2.781258|4.081482|7.155851|6.822596|7.581149|0.185398|12.496117|36.858105| |1.589718|1.697515|1.699225|1.770909|1.853533|1.854099|1.771098|1.895322|2.650846|1.908864|1.838931|3.253757|1.737378|1.894760|2.889423|0.059261|1.995681|2.174904|2.585026|2.876545|0.081126|2.485078|3.546007|5.953031|6.125862|6.365516|0.148525|7.639242|12.483199|36.858105| |1.520459|1.640107|1.656948|1.752490|1.846765|1.826586|1.717911|1.881962|2.680965|1.930284|1.826956|3.199195|1.714112|1.954226|3.040851|0.062218|2.145523|2.405094|2.919564|3.143767|0.088191|2.611324|3.887028|6.307370|7.094810|7.483543|0.168369|6.623481|7.525714|12.550458|36.858105| |1.568024|1.711213|1.726347|1.847791|1.981046|1.962257|1.817020|2.057091|2.984477|2.163305|2.016289|3.481892|1.878466|2.226830|3.552334|0.072029|2.518344|2.883884|3.679720|3.963419|0.108790|3.131991|5.199459|8.084010|10.580188|12.484766|0.247799|7.474130|6.606806|7.475950|13.669095|36.858105| |1.472238|1.611962|1.638531|1.769321|1.899472|1.862215|1.710043|1.959160|2.882156|2.091228|1.923484|3.296267|1.788470|2.199109|3.550956|0.071743|2.612989|3.098115|3.984853|3.938841|0.106923|3.052526|4.815845|7.390711|8.991054|7.548306|0.183758|4.967976|4.468294|4.991564|7.920278|13.653866|36.858105| |1.361641|1.480855|1.515046|1.630104|1.726228|1.679091|1.553022|1.744779|2.546916|1.837549|1.700140|2.935143|1.587998|1.924649|3.053117|0.062144|2.276435|2.680178|3.255097|3.137484|0.086740|2.532419|3.589459|5.688821|6.151119|5.005474|0.127274|3.839838|3.721889|4.418879|6.818478|7.872802|13.809638|36.858105| |1.331352|1.435544|1.469239|1.565652|1.637379|1.593526|1.491273|1.635774|2.353046|1.689793|1.583172|2.762121|1.485780|1.741954|2.712862|0.055584|1.992177|2.286324|2.697313|2.684946|0.075301|2.234824|3.063152|4.957201|5.181748|4.416200|0.111284|3.710421|3.863671|5.019404|7.870150|6.831855|7.972507|13.729927|36.858105| |1.398695|1.501842|1.528984|1.616536|1.686050|1.652274|1.558156|1.689090|2.404612|1.725228|1.631856|2.864821|1.534646|1.754138|2.711232|0.055659|1.948298|2.195310|2.596212|2.690791|0.075860|2.263598|3.153783|5.149993|5.436850|4.994810|0.121967|4.466717|5.011610|7.586592|13.665182|7.938123|6.936788|7.967623|13.811162|36.858105| |17.554890|8.851017|6.686592|4.585174|3.965972|4.304082|5.906774|3.372323|3.792355|2.477528|2.659837|5.824572|2.410102|2.086049|2.705406|0.059386|1.749101|1.660851|1.628077|1.819643|0.053968|1.934999|1.725234|2.967752|2.284542|1.571265|0.041551|1.681757|1.541367|1.463683|1.407992|1.450363|1.372167|1.277107|1.249006|1.305138|0.500000| |17.588342|8.834668|5.569095|4.163903|3.951251|4.736850|7.238735|3.826722|4.152918|2.768005|3.093474|6.996418|2.836137|2.276412|2.920124|0.063489|1.851807|1.742737|1.731521|1.970953|0.058023|2.128732|1.890518|3.287228|2.481719|1.712734|0.045440|1.859623|1.695224|1.581960|1.506415|1.555705|1.455872|1.341828|1.310874|1.380202|0.301916|0.500000| |17.557747|8.846934|6.754093|4.603554|3.961924|4.281648|5.853959|3.351497|3.785780|2.466801|2.636373|5.751161|2.383158|2.079892|2.753983|0.060505|1.767044|1.700258|1.697823|1.926112|0.057550|2.020725|1.855810|3.180467|2.487856|1.724863|0.045221|1.883188|1.727837|1.636677|1.553063|1.587064|1.481905|1.374922|1.353877|1.430266|0.302251|0.301837|0.500000| |7.025102|8.915319|17.705323|8.945036|5.655555|4.968702|5.668952|3.594553|4.198930|2.581867|2.600221|5.588607|2.249551|2.204622|2.983850|0.067589|1.935872|1.886039|1.837688|2.055102|0.062942|2.117585|1.914106|3.198327|2.580471|1.745878|0.045309|1.853768|1.677887|1.623746|1.579859|1.630060|1.549611|1.445849|1.412141|1.469758|0.189308|0.140699|0.193068|0.500000| |4.092346|5.621188|8.926818|17.727146|8.932286|5.656851|4.960019|4.145959|5.188636|2.992882|2.820885|5.886942|2.341949|2.593564|3.632473|0.085724|2.362202|2.334831|2.217730|2.465368|0.077921|2.496590|2.204618|3.586577|2.969230|1.945055|0.050000|2.010208|1.779670|1.738770|1.734501|1.822875|1.760378|1.636255|1.573716|1.615214|0.108065|0.095900|0.108632|0.216185|0.500000| |3.536800|4.915789|5.644632|8.904081|17.747292|8.908184|5.630098|7.141427|9.764260|4.714496|4.071946|8.487572|3.099272|3.888313|5.491086|0.140152|3.350934|3.188121|2.930055|3.357309|0.108387|3.549680|2.814923|4.523091|3.631123|2.276636|0.058793|2.304975|1.970933|1.884838|1.907073|2.070099|2.009416|1.821872|1.710238|1.744499|0.090371|0.090074|0.090245|0.124265|0.214575|0.500000| |6.992991|8.937363|5.667984|4.961032|5.635580|8.912438|17.740157|7.094551|6.542340|4.228176|4.998520|13.693928|4.187068|3.178181|3.942886|0.086731|2.384644|2.179558|2.147021|2.509854|0.074017|2.832088|2.342037|4.066821|2.982609|1.999305|0.053117|2.147766|1.894172|1.740858|1.678115|1.773774|1.662721|1.506772|1.448072|1.517356|0.153222|0.222322|0.151193|0.124429|0.107674|0.124066|0.500000| |2.687537|2.932412|2.539532|2.565337|3.020218|3.772278|3.683082|4.858454|6.104198|5.757656|8.964691|12.471187|17.575854|4.557073|4.990347|0.096724|2.933160|2.501223|2.530192|2.982252|0.079826|3.798376|2.858644|5.427480|3.362580|2.258224|0.063199|2.362697|2.057320|1.811698|1.764308|1.921335|1.805381|1.599232|1.505960|1.569661|0.067712|0.082032|0.068472|0.062168|0.063075|0.080755|0.118984|0.500000| |2.642038|2.893312|2.522155|2.560520|3.020206|3.745052|3.620186|4.833851|6.115663|5.808253|8.959696|12.306711|17.571790|4.637489|4.764386|0.093317|2.890767|2.411707|2.340226|2.648623|0.071612|3.324904|2.452197|4.545206|2.920650|1.949189|0.054342|1.998262|1.761599|1.587639|1.565506|1.700085|1.627100|1.460264|1.373057|1.414684|0.068421|0.080023|0.065858|0.061774|0.063115|0.081200|0.115500|0.301510|0.500000| |2.292790|2.536799|2.284851|2.377866|2.825427|3.364033|3.108645|4.443576|6.265114|6.709402|8.958570|10.146437|17.599753|6.067897|5.909465|0.108341|3.505842|2.826588|2.782240|3.175729|0.082558|4.245067|2.934379|5.603254|3.365771|2.219608|0.062844|2.235646|1.941402|1.729523|1.721047|1.901293|1.824120|1.615413|1.501183|1.542017|0.059079|0.067949|0.058622|0.056320|0.059625|0.078594|0.094696|0.300842|0.301120|0.500000| |2.081929|2.379922|2.257148|2.470912|3.009302|3.337698|2.854274|4.463756|7.673213|8.815435|6.710254|8.280423|5.957324|17.639879|12.295523|0.183198|6.650827|4.495999|4.178154|4.660471|0.114909|7.255089|3.831442|7.076600|4.156690|2.583138|0.072942|2.464239|2.079754|1.879688|1.933838|2.206279|2.174381|1.898301|1.717555|1.731920|0.053916|0.059388|0.053973|0.055650|0.063475|0.089492|0.080940|0.135432|0.134119|0.203308|0.500000| |2.144093|2.502226|2.427679|2.735131|3.399550|3.635785|2.986777|4.840340|9.062463|8.946209|5.963122|8.170291|4.761046|17.607393|12.431124|0.218637|7.497690|4.790318|3.947398|4.160443|0.110231|5.632172|3.271092|5.685335|3.730967|2.306882|0.063701|2.197253|1.873750|1.735390|1.798260|2.032694|2.033450|1.806211|1.637234|1.635555|0.056220|0.060106|0.055055|0.059546|0.070834|0.105190|0.082024|0.107877|0.118483|0.142766|0.300797|0.500000| |1.742770|1.982586|1.961660|2.190604|2.583159|2.642091|2.262717|3.190721|5.441243|4.608812|3.643426|5.408345|3.264555|7.018843|12.432465|0.181346|17.600855|8.778355|6.769415|5.727250|0.132318|7.024377|4.279681|7.420551|4.645325|2.783774|0.078844|2.478141|2.092634|1.946172|2.089046|2.452634|2.547484|2.219137|1.940742|1.897238|0.045624|0.048618|0.046068|0.049371|0.058513|0.079814|0.061943|0.081823|0.080351|0.101058|0.198931|0.188851|0.500000| |1.854709|2.148595|2.164560|2.480970|2.972843|2.945694|2.449056|3.535653|6.296454|4.917502|3.702966|5.692026|3.144752|7.176842|12.392846|0.223699|17.626176|8.790492|5.487651|4.870687|0.127725|5.610168|3.566143|5.899809|4.113723|2.472358|0.067911|2.251882|1.915729|1.812959|1.937219|2.231688|2.316669|2.060900|1.824370|1.781020|0.048883|0.051100|0.048652|0.054176|0.066855|0.095374|0.065605|0.077463|0.079531|0.093119|0.166010|0.235335|0.301000|0.500000| |1.614263|1.837468|1.877146|2.129615|2.441550|2.364328|2.029522|2.672548|4.413718|3.297165|2.706041|4.347224|2.400802|4.130550|7.612772|0.144666|8.966177|17.577825|8.807852|5.493444|0.139096|4.895835|4.079923|6.438500|4.872881|2.867610|0.078785|2.458126|2.092174|2.024229|2.254674|2.677504|2.944631|2.609697|2.216677|2.095657|0.042491|0.044248|0.043249|0.047935|0.058720|0.077050|0.054240|0.062172|0.060779|0.070557|0.107483|0.115385|0.214099|0.212309|0.500000| |1.851356|2.156702|2.236189|2.613010|3.065866|2.883030|2.395167|3.246891|5.551407|3.862543|3.058423|5.035842|2.588891|4.612108|9.360595|0.208180|8.884925|17.519919|8.814064|6.741123|0.198021|5.681686|4.475180|6.645089|5.433191|3.065380|0.080959|2.685342|2.234376|2.165506|2.388995|2.826166|3.020290|2.649769|2.283427|2.194744|0.048391|0.050237|0.049548|0.056447|0.072332|0.100596|0.062733|0.067049|0.065122|0.073958|0.111268|0.125820|0.173233|0.215759|0.303889|0.500000| |1.636360|1.842310|1.842387|2.043376|2.339323|2.346976|2.052978|2.688297|4.329726|3.377343|2.860927|4.519962|2.604075|4.137981|7.718333|0.135171|6.755907|8.831964|17.539303|8.851133|0.173873|6.786082|7.107727|11.237353|7.386228|4.108200|0.118247|3.283666|2.690496|2.514634|2.836323|3.575416|3.895050|3.184826|2.631776|2.526896|0.042499|0.045411|0.044195|0.046961|0.055297|0.071407|0.055861|0.069443|0.063999|0.077620|0.116156|0.103962|0.197658|0.138578|0.214833|0.173249|0.500000| |1.671668|1.896724|1.937650|2.181518|2.470427|2.395299|2.080301|2.651404|4.236240|3.088855|2.617982|4.313050|2.326816|3.548607|6.649857|0.131464|5.507383|8.852108|17.588275|8.800586|0.215232|5.504197|6.784669|9.167279|8.580204|4.456790|0.117955|3.474215|2.821295|2.746569|3.209505|4.129586|4.740711|3.840670|3.073759|2.887426|0.043396|0.045786|0.045512|0.049620|0.060057|0.076547|0.055541|0.062491|0.057937|0.067161|0.094025|0.091139|0.138846|0.123324|0.210330|0.215477|0.303268|0.500000| |2.343826|2.733973|2.613106|2.895171|3.569201|3.922608|3.286908|5.082258|8.536463|7.189721|5.766406|8.621004|4.629926|7.229400|12.385153|0.224076|5.615408|4.893462|5.489084|8.777893|0.214441|17.664886|6.943573|11.826233|6.781789|3.860380|0.104646|3.740416|2.899037|2.542477|2.598076|3.051877|2.876992|2.400391|2.162108|2.231018|0.058880|0.066152|0.062189|0.063802|0.073860|0.105949|0.090965|0.124942|0.103122|0.130702|0.188483|0.144649|0.144326|0.126842|0.107797|0.127458|0.139137|0.123063|0.500000| |1.943317|2.207124|2.131855|2.339713|2.781089|2.967864|2.569852|3.677880|6.080012|5.397402|4.459329|6.460810|4.014978|6.990276|12.382353|0.181344|7.026549|5.778604|6.824062|8.834182|0.173837|17.658519|7.124431|13.856161|6.488408|3.758376|0.108342|3.386416|2.711571|2.398807|2.519999|3.020897|2.961611|2.462418|2.169314|2.191125|0.049787|0.054918|0.051727|0.053176|0.061103|0.083166|0.071662|0.105985|0.092144|0.124085|0.218561|0.146967|0.212332|0.143954|0.129550|0.132614|0.200141|0.139521|0.301891|0.500000| |1.871837|2.115611|2.152410|2.383519|2.649167|2.589867|2.297963|2.767875|4.172291|2.943434|2.622173|4.512530|2.330065|3.040535|5.241929|0.109418|3.570195|4.287883|5.933844|7.480882|0.229396|4.855145|9.428902|10.851217|26.041764|9.012060|0.181931|6.457541|4.492724|4.336084|5.131334|7.286249|6.627019|4.703301|3.951878|4.075987|0.047676|0.051212|0.051995|0.055213|0.064990|0.079158|0.061257|0.065131|0.057560|0.065099|0.080801|0.075361|0.091757|0.084960|0.102286|0.120112|0.140070|0.187086|0.128733|0.118438|0.500000| |1.995611|2.190869|2.176923|2.301044|2.475637|2.502288|2.342548|2.586979|3.629753|2.575826|2.456474|4.375476|2.250964|2.496980|3.898199|0.081108|2.551913|2.756871|3.354811|4.180519|0.122495|3.529051|5.422350|8.494575|9.894791|8.862551|0.175225|17.501974|8.874176|7.079984|6.128337|6.555865|4.616383|3.685839|3.609037|4.329856|0.050043|0.055171|0.056738|0.056424|0.061620|0.069975|0.063582|0.065598|0.055865|0.061457|0.067771|0.061751|0.067694|0.063216|0.068222|0.076942|0.087191|0.095950|0.104868|0.090409|0.191921|0.500000| |1.937598|2.107168|2.040885|2.134037|2.335469|2.442240|2.302710|2.615464|3.675153|2.728870|2.651617|4.588859|2.500670|2.668606|4.082380|0.081820|2.640672|2.756650|3.400206|4.310412|0.116014|3.870451|6.140161|11.231803|9.402569|8.896116|0.223066|17.563238|8.778723|5.522120|4.864076|5.503199|4.100653|3.247714|3.101054|3.587311|0.048611|0.054606|0.054411|0.052521|0.056300|0.065667|0.064112|0.074230|0.061100|0.069210|0.074685|0.064844|0.072035|0.064569|0.068250|0.074275|0.092458|0.093007|0.117052|0.103938|0.155053|0.302290|0.500000| |1.744063|1.842615|1.801244|1.844083|1.940753|1.995729|1.940311|2.050998|2.812499|2.050902|2.026260|3.599925|1.941861|1.992604|2.965142|0.060403|1.988800|2.090336|2.455850|2.847026|0.079314|2.591217|3.549123|6.310228|5.627345|5.510662|0.139764|8.830907|17.560017|8.839046|5.504033|4.847774|3.580749|3.099737|3.251422|4.107807|0.044119|0.048907|0.049992|0.047504|0.049343|0.053843|0.053876|0.057545|0.048962|0.053283|0.055454|0.050032|0.054263|0.050161|0.053421|0.057359|0.066953|0.069480|0.076389|0.070048|0.105475|0.210304|0.214021|0.500000| |1.574322|1.673183|1.640543|1.698892|1.807703|1.854556|1.777979|1.943302|2.721130|2.019503|1.970776|3.418959|1.903998|2.018709|3.037129|0.060743|2.080523|2.210890|2.665642|3.009821|0.080878|2.689484|3.926924|7.211068|6.282066|6.992936|0.200067|8.855590|17.518052|8.837336|6.633779|6.142836|4.370708|3.658067|3.749800|4.706254|0.040189|0.044192|0.044569|0.043147|0.045661|0.050871|0.049432|0.055858|0.047867|0.053250|0.056913|0.050731|0.057612|0.051922|0.057033|0.059517|0.074600|0.075982|0.076922|0.074571|0.111749|0.173738|0.209119|0.303316|0.500000| |1.674544|1.789041|1.802598|1.875540|1.944071|1.929939|1.849566|1.944193|2.697809|1.914732|1.846110|3.310249|1.729065|1.877424|2.858022|0.059394|1.959393|2.132836|2.494470|2.800713|0.081028|2.428522|3.341214|5.500353|5.731257|5.401526|0.123260|6.759120|8.876796|17.500752|8.913881|6.084821|4.383097|3.985612|4.543028|6.528268|0.042708|0.046010|0.048253|0.048036|0.051320|0.054673|0.050158|0.050068|0.044027|0.047389|0.051231|0.047876|0.052531|0.049786|0.054902|0.059845|0.066284|0.073590|0.069692|0.064127|0.117829|0.205087|0.140424|0.219028|0.174089|0.500000| |1.481384|1.566239|1.565264|1.619438|1.683288|1.686623|1.624719|1.719067|2.392717|1.731137|1.679417|2.971589|1.602545|1.720598|2.591007|0.052958|1.804682|1.952168|2.284009|2.492030|0.069748|2.196600|3.002277|5.156941|4.952501|4.866377|0.122782|5.539772|8.825716|17.560420|8.916085|5.695510|4.248576|4.003645|4.753190|7.156604|0.038074|0.041027|0.042434|0.041802|0.044245|0.047370|0.044533|0.046452|0.040953|0.044380|0.047634|0.044073|0.049202|0.045882|0.051019|0.053853|0.062389|0.067119|0.062249|0.059529|0.097385|0.142168|0.123294|0.208575|0.217011|0.304324|0.500000| |1.483404|1.634199|1.658817|1.804199|1.959929|1.924012|1.748890|2.052259|3.067083|2.244224|2.037063|3.446701|1.887840|2.409290|3.970411|0.079219|2.983471|3.641676|4.933015|4.601621|0.120483|3.439007|5.580470|8.359884|9.915618|7.052670|0.184206|4.554895|3.908810|4.068136|5.639966|8.907552|17.710963|8.969731|5.666668|4.984765|0.038450|0.040802|0.041187|0.043331|0.049765|0.058136|0.047254|0.052517|0.047510|0.053938|0.066317|0.061804|0.081136|0.072297|0.096446|0.096384|0.135837|0.170635|0.087346|0.093321|0.197844|0.117390|0.110009|0.089324|0.107823|0.101596|0.097759|0.500000| |1.299504|1.414020|1.451038|1.566260|1.658466|1.606594|1.481903|1.671996|2.453543|1.772870|1.632814|2.808907|1.526151|1.875361|2.974151|0.060418|2.265008|2.695703|3.212835|2.973656|0.081813|2.419805|3.273611|5.222607|5.337953|4.091087|0.107520|3.218685|3.092807|3.536924|4.923867|5.617273|8.931125|17.719050|8.891775|5.655395|0.034020|0.035531|0.036325|0.038515|0.043855|0.048871|0.039894|0.042410|0.039144|0.043284|0.051356|0.049356|0.061467|0.057323|0.074513|0.073909|0.087872|0.106599|0.062964|0.065660|0.113932|0.086489|0.078149|0.073507|0.085308|0.090660|0.091086|0.216367|0.500000| |1.253753|1.345915|1.381627|1.468439|1.524908|1.479296|1.389888|1.510617|2.165726|1.553330|1.459405|2.552831|1.373695|1.600202|2.469301|0.050687|1.825585|2.083217|2.399855|2.361977|0.066406|2.001138|2.626644|4.298025|4.288872|3.535222|0.091112|3.084503|3.239468|4.103162|5.618166|4.930940|5.657701|8.894274|17.721139|8.935914|0.032824|0.034237|0.035448|0.037085|0.041186|0.044183|0.037469|0.038596|0.035476|0.038529|0.043803|0.042102|0.049452|0.046910|0.056704|0.058026|0.065189|0.075406|0.053803|0.054083|0.091108|0.084231|0.073529|0.078283|0.087997|0.106529|0.112740|0.124411|0.213868|0.500000| 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