Version2.1 2020-12-17T10:22:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)CC[NH+](C2)C[C@H](COc3ccccc3C[NH2+]Cc4cnc5n4cccc5)O C12433686 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)CC[NH+](C2)C[C@H](COc3ccccc3C[NH2+]Cc4cnc5n4cccc5)O C01[X(C27H32N4O2)] 189 C1 559 O[C@H](C[NH+]1CCc2c(C1)cccc2)COc1ccccc1C[NH2+]Cc1cnc2n1cccc2 O[C@H](C[NH+]1CCc2c(C1)cccc2)COc1ccccc1C[NH2+]Cc1cnc2n1cccc2 O[C@@H](COc1ccccc1C[NH2+]Cc2cnc3ccccn23)C[NH+]4CCc5ccccc5C4 InChIKey=HJNDCYHUPYIOBM-RUZDIDTESA-P InChI=1S/C27H30N4O2/c32-25(19-30-14-12-21-7-1-2-9-23(21)18-30)20-33-26-10-4-3-8-22(26)15-28-16-24-17-29-27-11-5-6-13-31(24)27/h1-11,13,17,25,28,32H,12,14-16,18-20H2/p+2/t25-/m1/s1 InChI=1/C27H30N4O2/c32-25(19-30-14-12-21-7-1-2-9-23(21)18-30)20-33-26-10-4-3-8-22(26)15-28-16-24-17-29-27-11-5-6-13-31(24)27/h1-11,13,17,25,28,32H,12,14-16,18-20H2/p+2/t25-/m1/s1/fC27H32N4O2/h28,30H/q+2 c1ccc2c(c1)CC[NH+](C2)C[C@H](COc3ccccc3C[NH2+]Cc4cnc5n4cccc5)O C01[X(C27H32N4O2)] 189 C01 559 O[C@H](C[NH+]1CCc2c(C1)cccc2)COc1ccccc1C[NH2+]Cc1cnc2n1cccc2 O[C@H](C[NH]1CC[C]2[C]([CH][CH][CH][CH]2)C1)CO[C]1[CH][CH][CH][CH][C]1C[NH2]C[C]1[CH][N][C]2[CH]=[CH][CH]=CN12 O[C@@H](CO[C]1[CH][CH][CH][CH][C]1C[NH2]C[C]2[CH][N][C]3C=CC=CN23)C[NH]4CC[C]5[CH][CH][CH][CH][C]5C4 InChIKey=UOBNFHILAKKIDU-RUZDIDTESA-N InChI=1S/C27H32N4O2/c32-25(19-30-14-12-21-7-1-2-9-23(21)18-30)20-33-26-10-4-3-8-22(26)15-28-16-24-17-29-27-11-5-6-13-31(24)27/h1-11,13,17,25,30,32H,12,14-16,18-20,28H2/t25-/m1/s1 InChI=1/C27H32N4O2/c32-25(19-30-14-12-21-7-1-2-9-23(21)18-30)20-33-26-10-4-3-8-22(26)15-28-16-24-17-29-27-11-5-6-13-31(24)27/h1-11,13,17,25,30,32H,12,14-16,18-20,28H2/t25-/m1/s1 3217.3988288260 -1408.1121681 1-A 20695.8297 118 441 559 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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| 10.1600 13.0015 16.4953 26.5303 28.6981 40.6374 47.2641 65.6461 72.4275 85.2119 102.0947 126.7875 134.2377 145.3640 159.7298 182.4050 189.1701 224.1082 228.4584 241.8349 249.0001 275.0818 283.5481 286.7435 309.2671 332.2473 354.5922 395.1109 401.0770 440.6696 457.3091 468.2854 477.2357 500.2011 502.4704 508.5784 511.0029 520.3589 545.6447 575.6715 577.5362 595.1859 605.9019 624.2054 636.6873 648.4147 659.6216 676.7686 693.3210 702.9375 776.6779 793.2616 802.0959 815.2186 823.3294 828.5382 851.5930 852.6169 855.5872 860.4816 865.3960 888.7169 910.8170 914.3278 951.4751 956.8372 974.3312 981.2488 989.7570 993.8255 997.4939 998.7038 1021.2925 1037.2372 1049.2338 1062.8511 1064.8923 1069.4388 1086.4336 1094.2789 1100.4907 1112.5269 1124.3036 1128.4775 1132.9410 1143.0183 1147.6207 1147.8768 1151.0778 1172.7549 1178.6443 1179.4887 1189.6019 1208.1246 1219.5112 1230.4797 1241.7317 1244.4810 1255.7460 1269.1578 1279.4528 1289.5923 1300.0368 1307.8460 1308.5924 1314.6634 1315.3129 1339.4662 1349.4448 1361.5228 1367.1365 1383.1714 1384.6850 1388.8516 1412.9273 1431.0204 1443.4487 1444.7671 1450.2698 1460.7176 1462.5076 1471.6631 1480.2007 1488.5032 1507.6386 1522.2422 1528.2005 1532.5470 1536.8907 1551.6446 1561.8256 1572.3036 1575.4860 1596.6170 1602.1051 1609.1045 1615.1760 1624.1322 1626.0798 1628.6474 1629.9587 1636.7917 1642.1114 1642.8706 1656.8770 1661.5553 1665.4689 1671.5515 1676.8596 1725.1710 1731.5122 1786.9615 1790.3792 1807.8849 1808.4473 1827.1807 1862.7862 3206.3134 3207.7498 3255.7981 3262.5485 3270.4458 3271.6921 3271.7481 3280.4816 3287.0324 3295.6986 3326.5328 3331.0082 3336.1863 3338.4702 3346.8401 3357.8239 3371.5535 3371.8576 3392.1725 3393.3325 3394.4401 3404.8546 3407.5820 3408.0715 3415.0787 3419.2705 3424.5829 3428.1997 3666.2614 3666.4796 3733.3428 4066.3544 6.1779 4.3921 5.3090 5.2649 4.2566 5.1031 4.7549 4.7651 4.3474 4.5138 4.7297 3.3979 2.5244 3.2612 2.9339 3.7665 4.6550 4.6538 4.3335 2.3801 3.7180 3.8286 3.1996 2.9027 3.5803 3.7475 3.8696 1.2143 2.5184 4.1580 3.7602 2.9585 2.4781 2.6471 2.9806 3.3815 3.8573 3.0414 3.6503 3.2971 4.4923 4.1337 4.8391 4.0478 3.9136 4.2916 5.3516 5.0005 3.5411 4.2141 3.3119 4.7316 4.2055 3.8030 3.4113 1.6474 1.2612 1.8960 2.3587 2.4045 1.3024 2.0978 4.7200 3.5867 1.4883 1.9498 1.9640 1.9542 2.2177 2.3774 2.4598 2.0117 2.0094 1.4517 2.9270 1.4900 1.3175 3.3379 2.1901 1.5593 1.4707 2.9384 2.4798 2.2894 1.3250 1.3710 1.4261 2.0621 2.4160 2.5215 2.9644 1.9694 3.0931 2.4611 2.5316 2.2831 1.8493 1.9085 1.3655 3.0150 1.2020 1.3051 1.5642 1.4162 1.7078 2.4369 1.6903 1.2213 1.5461 1.4032 1.6743 2.0637 1.6163 2.1890 1.4130 1.4764 1.6377 1.6555 1.6562 2.5796 1.2542 1.7908 1.2338 1.9024 1.2884 1.5171 1.4548 1.3988 1.3119 1.4012 1.2551 1.2795 1.2859 1.3124 1.2806 1.4868 2.0185 1.7248 2.1498 1.4170 1.1181 1.1049 1.0947 1.1523 3.4723 1.1031 1.4544 2.3531 1.5729 5.9484 5.3495 6.2723 5.7556 5.8417 5.3474 1.0734 5.7589 1.0631 1.0713 1.0650 1.0642 1.0981 1.0877 1.0620 1.0710 1.0606 1.0914 1.1083 1.1027 1.1097 1.1115 1.1114 1.0914 1.0916 1.0922 1.0908 1.0936 1.0889 1.0916 1.0985 1.0940 1.0982 1.0994 1.0991 1.0986 1.0607 1.0732 1.0963 1.0672 0.0004 0.0004 0.0009 0.0022 0.0021 0.0050 0.0063 0.0121 0.0134 0.0193 0.0290 0.0322 0.0268 0.0406 0.0441 0.0738 0.0981 0.1377 0.1333 0.0820 0.1358 0.1707 0.1516 0.1406 0.2018 0.2437 0.2867 0.1117 0.2387 0.4757 0.4633 0.3822 0.3325 0.3902 0.4434 0.5153 0.5934 0.4852 0.6403 0.6438 0.8828 0.8628 1.0467 0.9292 0.9347 1.0631 1.3719 1.3494 1.0029 1.2268 1.1771 1.7543 1.5941 1.4891 1.3624 0.6663 0.5389 0.8121 1.0173 1.0490 0.5747 0.9762 2.3070 1.7667 0.7939 1.0518 1.0985 1.1086 1.2800 1.3835 1.4420 1.1822 1.2348 0.9202 1.8985 0.9917 0.8803 2.2493 1.5231 1.1001 1.0494 2.1428 1.8468 1.7178 1.0021 1.0553 1.1066 1.6008 1.8861 2.0433 2.4263 1.6142 2.5790 2.1164 2.2183 2.0367 1.6800 1.7415 1.2687 2.8613 1.1593 1.2788 1.5576 1.4272 1.7231 2.4815 1.7229 1.2910 1.6589 1.5326 1.8438 2.3262 1.8259 2.4878 1.6621 1.7813 2.0105 2.0360 2.0524 3.2429 1.5806 2.2852 1.5927 2.4834 1.7254 2.0713 2.0018 1.9357 1.8258 1.9876 1.8038 1.8636 1.8806 1.9711 1.9366 2.2682 3.1026 2.6805 3.3491 2.2145 1.7502 1.7440 1.7393 1.8324 5.6162 1.7944 2.3769 3.8737 2.6059 10.4307 9.4497 11.8007 10.8701 11.2495 10.3040 2.1114 11.7738 6.4396 6.4945 6.6515 6.6740 6.9201 6.8599 6.6980 6.7906 6.7514 6.9846 7.2258 7.2090 7.2773 7.2987 7.3347 7.2499 7.3107 7.3162 7.3952 7.4189 7.3921 7.4563 7.5151 7.4867 7.5464 7.5730 7.5949 7.6073 8.4005 8.5005 9.0030 10.3974 0.6267 0.8396 0.3211 1.8641 0.0204 0.9296 2.9709 3.4938 2.5421 1.4272 0.8057 4.0852 12.7847 1.6703 1.5881 2.5056 2.3292 0.6244 8.0011 8.6390 6.2218 12.7140 9.0242 2.3816 4.4715 2.8332 2.4192 189.6115 8.2167 12.0502 7.2873 11.7823 3.6385 4.5651 6.9949 9.3022 2.5325 7.4501 0.9480 4.6240 3.5640 0.3727 0.4345 3.7611 0.3058 3.7637 4.3997 12.7033 0.8633 9.6932 0.1050 3.9459 5.2333 0.5530 2.8290 39.5931 50.6725 2.8405 46.1530 38.0437 67.9437 10.4641 16.1235 4.8357 10.4647 18.7826 3.8943 5.6737 11.9624 75.7319 71.0680 34.6367 31.5526 14.5617 24.2598 3.8690 3.0487 24.3189 2.1831 2.4175 7.5004 5.1328 20.6615 28.2175 0.9047 0.5757 0.3335 1.6981 5.7545 3.2220 0.5878 46.5224 42.9875 5.7974 9.0187 0.1335 6.6338 50.3438 20.3028 57.6276 7.1383 24.9253 12.1377 2.7796 74.6433 40.1402 5.7128 28.4698 2.7045 21.9754 16.6047 58.0411 89.3831 120.2907 9.8157 53.1447 0.6182 11.2331 61.5047 0.0208 11.4480 94.4050 13.5115 66.1049 15.9619 34.8878 9.8692 0.7520 1.9835 30.3683 5.0317 49.0607 371.0665 6.3122 90.9929 90.1843 0.8521 35.9917 5.4787 8.2070 4.9413 1.8862 6.7346 24.0149 77.6386 14.4152 80.6604 19.3983 28.9163 1.7053 72.6873 0.1978 22.8302 58.9561 3.3611 31.7296 51.1036 19.5947 14.6839 6.6001 2.5160 9.5856 3.4891 5.8297 10.4040 7.6905 13.0577 3.4170 8.4891 0.5585 11.0603 3.3043 9.3329 2.1123 4.4049 2.0214 4.1339 0.9067 4.8324 4.6910 6.8577 1.5435 8.3402 3.5316 2.1165 35.5607 75.3317 76.6769 70.8020 1.4233 4.8443 4.4208 3.6188 1.2438 5.6850 3.7844 5.0664 2.8129 0.3228 1.1184 1.4545 0.8283 0.9149 2.1187 3.9140 2.1693 0.3160 2.4277 0.3748 1.9404 1.3717 4.2652 1.0735 0.3921 1.5294 2.2296 1.3923 1.2979 2.0610 2.0975 3.0892 0.2192 0.7829 0.6794 1.4254 0.8176 1.0424 0.6665 1.6728 1.9180 2.5687 3.8741 1.5911 7.0735 1.0078 4.5829 3.6372 1.8706 1.6091 0.7852 9.3217 18.9584 3.5880 3.7982 1.4127 0.9610 2.4096 3.2624 5.3959 2.0276 0.4212 7.6284 0.6407 2.9539 7.4668 4.3751 9.2837 1.5341 4.4381 8.8099 4.8125 5.3686 1.4925 3.1586 0.7084 0.9995 29.3461 4.5983 3.8345 0.6618 6.5620 19.2846 3.9427 1.2659 0.5086 1.8954 10.4257 16.7175 3.2924 1.9269 4.2305 10.0817 12.8142 2.6626 4.0140 3.1430 5.4219 10.5337 11.4784 9.7250 13.8317 2.0027 2.6740 38.7502 3.8562 2.8031 2.2033 4.0592 6.6220 10.7654 44.8203 12.5889 15.6516 2.5481 9.6871 25.6181 39.4416 25.5231 30.5395 3.5551 14.8378 12.6811 25.4535 1.0490 12.7132 4.5200 6.4214 12.6309 13.2695 2.9182 3.5365 8.0143 5.2318 5.5804 1.0520 24.4384 1.0429 0.1438 14.5391 9.4354 3.6736 9.3013 20.6964 113.7674 4.8196 10.8622 1.6274 5.7535 40.4361 27.2017 10.6077 10.6087 42.4035 22.8187 14.2343 14.1332 45.8114 98.8614 49.8993 36.8868 24.3246 73.0410 42.5773 150.3443 87.5952 22.9836 31.3813 38.5956 27.5318 70.3281 43.3397 52.2787 76.8981 65.6492 71.0817 74.4624 51.8082 81.7338 222.5361 58.5040 232.0143 98.2914 102.1214 174.3004 8.5426 35.7655 11.4002 36.2622 0.7493 0.7496 0.7498 0.7498 0.7495 0.7039 0.7493 0.7485 0.7491 0.4611 0.7366 0.6804 0.6509 0.6615 0.7362 0.3912 0.7494 0.6397 0.3195 0.7330 0.0816 0.1416 0.6778 0.4572 0.5140 0.7422 0.1609 0.7500 0.2110 0.7141 0.4407 0.7209 0.5657 0.3692 0.6062 0.6138 0.4937 0.7496 0.6476 0.7087 0.6364 0.7389 0.4643 0.7484 0.2680 0.4783 0.3830 0.7392 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0.8482 0.6850 0.6633 0.8402 0.5313 0.6983 0.7901 0.6278 0.7827 0.8528 0.5727 0.7985 0.1248 0.2340 0.3320 0.0521 0.8485 0.7728 0.0952 0.1002 0.0674 0.3725 0.8069 0.4734 0.7209 0.8375 0.8570 0.5446 0.5961 0.5772 0.8568 0.8511 0.8369 0.7782 0.2497 0.8088 0.2061 0.2794 0.4647 0.3105 0.4642 0.1748 0.8508 0.4216 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 65 6 6 6 6 6 6 6 6 7 1 6 6 6 1 6 8 6 6 6 6 6 6 6 7 1 1 6 6 6 7 6 7 6 6 6 6 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 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 1.00783 1.00783 13542.7120 26273.2020 35831.4104 0.99995 0.00808 -0.00535 -0.00806 0.99996 0.00350 0.00538 -0.00346 0.99998 1 0.00640 0.00330 0.00242 0.13326 0.06869 0.05037 14.62 18.71 23.73 38.17 41.29 58.47 68.00 94.45 104.21 122.60 146.89 182.42 193.14 209.15 229.82 262.44 272.17 322.44 328.70 347.95 358.26 395.78 407.96 412.56 444.97 478.03 510.18 568.48 577.06 634.03 657.97 673.76 686.64 719.68 722.94 731.73 735.22 748.68 785.06 828.26 830.95 856.34 871.76 898.09 916.05 932.92 949.05 973.72 997.53 1011.37 1117.47 1141.33 1154.04 1172.92 1184.59 1192.08 1225.25 1226.73 1231.00 1238.04 1245.11 1278.67 1310.46 1315.51 1368.96 1376.68 1401.85 1411.80 1424.04 1429.89 1435.17 1436.91 1469.41 1492.35 1509.61 1529.21 1532.14 1538.68 1563.14 1574.42 1583.36 1600.68 1617.62 1623.63 1630.05 1644.55 1651.17 1651.54 1656.14 1687.33 1695.81 1697.02 1711.57 1738.22 1754.60 1770.39 1786.57 1790.53 1806.74 1826.03 1840.85 1855.44 1870.46 1881.70 1882.77 1891.51 1892.44 1927.19 1941.55 1958.93 1967.00 1990.08 1992.25 1998.25 2032.89 2058.92 2076.80 2078.70 2086.61 2101.65 2104.22 2117.39 2129.68 2141.62 2169.16 2190.17 2198.74 2204.99 2211.24 2232.47 2247.12 2262.19 2266.77 2297.18 2305.07 2315.14 2323.88 2336.76 2339.57 2343.26 2345.15 2354.98 2362.63 2363.72 2383.88 2390.61 2396.24 2404.99 2412.63 2482.14 2491.26 2571.04 2575.96 2601.14 2601.95 2628.91 2680.13 4613.17 4615.24 4684.37 4694.08 4705.44 4707.24 4707.32 4719.88 4729.31 4741.78 4786.14 4792.58 4800.03 4803.31 4815.36 4831.16 4850.91 4851.35 4880.58 4882.25 4883.84 4898.83 4902.75 4903.45 4913.54 4919.57 4927.21 4932.41 5274.93 5275.25 5371.45 5850.58 0.603627 0.630696 0.631640 0.540376 -1407.508541 -1407.481472 -1407.480528 -1407.571793 3.061043D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE c1ccc2c(c1)CC[NH+](C2)C[C@H](COc3ccccc3C[NH2+]Cc4cnc5n4cccc5)O C12433686 RHF 6-31G(d) (6D,10F) C1 444.252526 |X|Y|Z| 79.360369 114.518472 35.821910 68.792747 32 6 7 8 27 4 1 |36.858105| |13.710140|36.858105| |7.958293|13.814044|36.858105| |6.876733|7.924084|13.682604|36.858105| |7.906304|6.835957|7.905818|13.732857|36.858105| |13.804438|7.941959|6.895488|7.955553|13.687207|36.858105| |5.023700|4.429518|5.006126|7.539712|12.579992|7.569940|36.858105| |3.867931|3.736077|4.498269|6.685410|7.539907|5.000388|12.533278|36.858105| |3.757566|3.903062|5.074377|7.636328|6.689362|4.505302|7.687183|12.636778|53.358707| |3.775075|3.874950|4.903668|7.044454|6.486755|4.525726|7.378116|9.254008|25.641950|0.500000| |4.449959|5.053823|7.648487|12.599167|7.520887|5.015315|6.426348|7.756802|17.251623|0.258652|36.858105| |2.922253|3.068503|3.833239|4.960594|4.406431|3.335720|4.998779|7.638920|17.354931|0.261373|7.608934|36.858105| |2.660473|2.859108|3.545057|4.241643|3.663625|2.918403|3.874165|4.976643|10.368590|0.208852|6.060477|12.421516|36.858105| |2.751442|3.055507|3.888123|4.473616|3.653181|2.936485|3.636561|4.467122|9.220501|0.181464|6.567760|8.813110|17.630469|0.500000| |2.200612|2.339452|2.790399|3.200015|2.870507|2.384291|3.067765|3.838676|6.760858|0.134193|4.198401|7.598891|12.513234|0.249696|36.858105| |2.036526|2.184552|2.569957|2.833487|2.531421|2.159789|2.625139|3.103131|5.330838|0.110239|3.548395|5.120238|8.057851|0.207879|13.587210|73.516695| |1.784462|1.904810|2.196584|2.377290|2.155346|1.876854|2.232089|2.595880|4.230799|0.086301|2.880277|3.910708|5.215396|0.139818|7.969967|24.706792|36.858105| |1.662719|1.754674|2.002983|2.181240|2.012350|1.759831|2.117343|2.481447|3.897467|0.078144|2.617417|3.630747|4.396793|0.113900|6.703607|13.949228|13.799555|36.858105| |1.488079|1.566934|1.763538|1.891361|1.757756|1.561954|1.835732|2.107567|3.229563|0.064853|2.213677|2.880859|3.340151|0.089079|4.508853|9.212805|7.962275|13.699398|36.858105| |1.422909|1.506161|1.685427|1.779591|1.646972|1.477879|1.695351|1.911476|2.936843|0.059522|2.054871|2.543166|2.979315|0.081848|3.788290|8.169877|6.859899|7.902999|13.799263|36.858105| |1.498427|1.599463|1.797854|1.883574|1.724637|1.546784|1.754704|1.964887|3.076448|0.063002|2.177795|2.638369|3.206356|0.090223|3.989039|9.367811|7.946577|6.877443|7.984409|13.742544|36.858105| |1.676716|1.800544|2.053355|2.168105|1.961644|1.737272|1.993433|2.253789|3.631649|0.074879|2.556538|3.171232|4.096567|0.116215|5.258243|14.466775|13.637137|7.896779|6.867425|7.892398|13.739842|36.858105| |1.763789|1.915381|2.186692|2.269025|2.028414|1.806257|2.020371|2.239992|3.663028|0.076879|2.644235|3.075027|4.047468|0.120545|4.620307|12.314372|7.566476|5.027754|4.454232|5.024743|7.587655|12.675684|36.858105| |1.790390|1.923731|2.176547|2.273302|2.061816|1.843281|2.067724|2.260036|3.686860|0.079776|2.602615|3.027006|3.994971|0.114055|4.360182|11.124189|6.048555|4.324314|3.798162|4.101697|5.501481|7.694674|12.647031|53.358707| |1.909399|2.042086|2.331135|2.480264|2.252854|1.988863|2.285463|2.524701|4.187457|0.091887|2.880490|3.491610|4.814904|0.132826|5.260923|13.960454|6.661074|4.653109|3.861303|3.933445|4.959120|7.143546|9.261494|25.683953|0.500000| |1.652217|1.757371|1.965221|2.056873|1.893670|1.705662|1.917259|2.088474|3.332706|0.071877|2.328112|2.735135|3.480952|0.096709|3.895397|9.488980|5.617698|4.275442|3.915237|4.337527|5.783475|7.242906|9.191071|25.669879|0.329052|0.500000| |1.822747|1.969581|2.202626|2.249948|2.037932|1.849843|2.004061|2.132320|3.455527|0.075705|2.501152|2.707912|3.446791|0.100859|3.473441|7.935525|4.151168|3.232771|2.925246|3.147890|3.985541|4.921134|7.428170|17.030113|0.252928|0.255573|36.858105| |1.769797|1.881589|2.068944|2.124421|1.967022|1.804712|1.951631|2.043139|3.246983|0.072272|2.308747|2.496069|3.076333|0.086869|3.058864|6.607578|3.451470|2.831270|2.586683|2.733236|3.285337|3.850417|4.947615|10.447458|0.193619|0.203238|12.909068|36.858105| |1.586670|1.671334|1.809931|1.851299|1.737948|1.614791|1.731938|1.799709|2.793048|0.061596|1.984497|2.139101|2.549128|0.071279|2.574778|5.413603|2.944207|2.512884|2.367073|2.530775|2.978360|3.296403|3.982343|7.510500|0.138149|0.164811|7.391721|13.926384|36.858105| |1.573221|1.637829|1.755074|1.802250|1.716933|1.607409|1.720911|1.766997|2.706001|0.060172|1.904908|2.043835|2.385527|0.065735|2.376652|4.830578|2.594195|2.269641|2.132545|2.232675|2.543584|2.792430|3.219045|5.779014|0.114150|0.125043|5.173180|8.491206|14.239823|53.358707| |1.741696|1.807987|1.943802|2.010870|1.920389|1.790034|1.928163|1.968886|3.038829|0.068787|2.119834|2.269172|2.663900|0.072834|2.587498|5.194758|2.692330|2.337476|2.146472|2.201069|2.494093|2.813832|3.243608|5.893053|0.123392|0.121471|5.240970|8.652386|9.033297|19.778563|36.858105| |1.907479|2.007096|2.198186|2.280030|2.136552|1.960892|2.131020|2.202218|3.496780|0.079780|2.446945|2.630230|3.208040|0.088698|3.072195|6.344079|3.180542|2.662789|2.391118|2.447037|2.836462|3.332681|4.018757|7.800840|0.168097|0.149840|7.480411|13.711048|8.731545|11.667471|13.907345|53.358707| |2.197099|2.311656|2.559974|2.690103|2.513266|2.278602|2.502082|2.569885|4.168063|0.098256|2.885715|3.062386|3.773706|0.103579|3.408469|6.796077|3.225191|2.696373|2.361013|2.355930|2.690260|3.226593|3.813739|6.931792|0.162393|0.126298|6.009523|7.547109|5.380953|7.373690|7.938180|18.882198|36.858105| |2.274418|2.338259|2.538898|2.691887|2.594532|2.383414|2.610194|2.606818|4.107360|0.098553|2.797844|2.919493|3.406988|0.091389|3.032576|5.731374|2.753888|2.388720|2.106796|2.075253|2.305783|2.693310|3.037639|5.174378|0.119449|0.098252|4.233197|5.159555|4.267412|6.386782|6.896298|11.050661|14.191612|36.858105| |2.003412|2.032413|2.159005|2.268398|2.227376|2.090660|2.258002|2.236932|3.401727|0.079480|2.325606|2.437017|2.759046|0.073825|2.550160|4.811394|2.404668|2.135567|1.925478|1.910029|2.098875|2.381577|2.638543|4.448635|0.099000|0.088186|3.633310|4.641747|4.278641|7.119602|7.972979|9.462714|7.916912|13.290799|36.858105| |1.779343|1.818745|1.931008|2.008576|1.955291|1.840093|1.976718|1.983816|3.009140|0.068776|2.079023|2.202748|2.513435|0.067834|2.398655|4.637703|2.382677|2.116217|1.939096|1.954472|2.162108|2.418913|2.698098|4.639168|0.099936|0.094760|3.878433|5.363328|5.426398|10.494292|13.375598|10.776866|6.833275|7.896401|14.134260|36.858105| |2.727174|2.887052|3.498840|4.159027|3.718884|3.006258|3.946626|4.689909|9.325812|0.233366|5.356815|7.934885|13.564431|0.265859|7.798061|11.933149|4.551332|3.798346|2.993928|2.743377|2.997246|3.800672|3.950689|5.831987|0.149995|0.103383|3.824023|3.556887|2.881061|3.730614|3.176200|5.338736|4.963866|4.497174|3.439436|3.029555|73.516695| |17.736940|8.900953|5.656534|4.955482|5.635761|8.945240|4.100762|3.237962|4.241428|0.087439|3.557527|2.515031|2.319336|0.066335|1.960854|3.258098|1.625143|1.521691|1.373977|1.319407|1.386391|1.538262|1.617352|2.239434|0.048421|0.042448|1.683943|1.646892|1.491251|2.022548|1.637114|2.412374|2.018677|2.102442|1.883504|1.681399|4.242796|0.500000| |8.893523|17.739311|8.942443|5.640601|4.934446|5.648332|3.544473|3.102738|4.445798|0.090347|4.123150|2.685354|2.563590|0.076775|2.143039|3.617216|1.795342|1.652597|1.489288|1.443416|1.536956|1.718630|1.840033|2.505465|0.053686|0.046783|1.904207|1.816120|1.622504|2.159552|1.738560|2.614744|2.183568|2.194495|1.927190|1.741933|4.593683|0.214302|0.500000| |5.655125|8.952422|17.697137|8.884326|5.629310|4.962076|4.080119|3.936684|6.331919|0.123970|7.127782|3.752713|3.620582|0.115157|2.869960|4.779484|2.300874|2.075820|1.829920|1.761393|1.894636|2.171934|2.339690|3.121400|0.067629|0.057012|2.330995|2.149203|1.868995|2.437423|1.969989|3.060922|2.595273|2.512146|2.129815|1.927755|6.213458|0.124322|0.216083|0.500000| |8.946588|5.649071|4.963238|5.654767|8.912694|17.711865|7.046572|4.574766|5.347874|0.110601|4.082216|3.017273|2.638772|0.072494|2.203853|3.552834|1.753499|1.659524|1.481119|1.399457|1.455921|1.623300|1.676276|2.340573|0.051489|0.044583|1.722141|1.697536|1.533263|2.093472|1.710097|2.518184|2.134046|2.261294|2.017340|1.775283|4.867848|0.216084|0.124215|0.107671|0.500000| |4.565307|3.995053|4.376057|6.055061|8.876522|6.571165|17.519146|8.892627|9.121004|0.206839|5.341753|4.639908|3.794336|0.097107|3.023282|4.661371|2.223724|2.100572|1.821881|1.687109|1.751235|1.992191|2.028372|2.879469|0.065370|0.054694|2.061330|2.040131|1.811815|2.476879|2.061687|3.085264|2.695911|2.887590|2.494219|2.145891|7.303542|0.107067|0.090914|0.101451|0.182101|0.500000| |4.680347|3.973111|4.239156|5.739209|8.863039|6.975708|17.579267|8.999299|7.638240|0.146490|4.957949|4.143229|3.262444|0.085407|2.703980|4.144725|2.024596|1.949430|1.710446|1.579081|1.620036|1.816549|1.826323|2.532064|0.056599|0.048354|1.801897|1.761166|1.581900|2.145910|1.750697|2.599385|2.202665|2.301851|2.035745|1.800211|5.813708|0.110805|0.090469|0.097760|0.205218|0.304692|0.500000| |3.253721|3.115116|3.613679|4.909419|5.513354|4.095081|8.811427|17.637094|12.307389|0.216333|5.638339|7.323852|4.839414|0.114854|3.927476|5.560299|2.636158|2.563707|2.170373|1.946486|1.980304|2.261452|2.212768|3.065309|0.070331|0.058435|2.099042|2.031253|1.800232|2.418968|1.979944|2.989992|2.547357|2.603703|2.258678|2.005295|8.267216|0.078171|0.073847|0.090301|0.109367|0.220829|0.208496|0.500000| |3.711998|3.641453|4.379757|6.211608|6.583634|4.632756|8.767583|17.616436|12.414453|0.181576|7.331835|6.846938|4.493997|0.116088|3.626611|5.215922|2.504021|2.426150|2.077331|1.879800|1.917532|2.178236|2.146159|2.890522|0.065080|0.054641|1.997107|1.894710|1.679310|2.230308|1.803717|2.735600|2.302333|2.304641|2.002544|1.802818|7.106819|0.086996|0.084933|0.108357|0.117483|0.173639|0.218671|0.300884|0.500000| |3.992998|4.519419|6.436088|8.797610|6.121982|4.402564|5.503092|7.013391|12.460043|0.182219|17.588189|7.143562|5.441418|0.164810|4.069086|6.038399|2.828548|2.621150|2.229385|2.056917|2.155149|2.500236|2.537686|3.318583|0.074028|0.061033|2.315319|2.120282|1.842056|2.395133|1.930864|3.005466|2.538431|2.443800|2.073663|1.883251|7.974542|0.090895|0.105813|0.176171|0.102305|0.124375|0.127981|0.145972|0.219532|0.500000| |3.997493|4.739609|7.139148|8.878451|5.699486|4.239389|4.910594|5.636912|12.346365|0.226404|17.650121|7.012415|6.833577|0.236085|4.546147|7.092139|3.162971|2.783675|2.340567|2.197296|2.373411|2.838144|3.012534|4.010496|0.090670|0.071763|2.851001|2.576437|2.175803|2.807653|2.300134|3.689752|3.222350|3.033470|2.474015|2.220603|10.723033|0.090924|0.112280|0.213005|0.097549|0.122918|0.109518|0.126540|0.146726|0.301528|0.500000| |2.684265|2.736986|3.281200|4.173249|3.994593|3.107210|4.857355|7.465756|12.451735|0.217614|5.613296|17.602675|8.831844|0.173508|7.041036|8.429952|3.758140|3.635323|2.889215|2.508478|2.552084|3.015891|2.858738|3.900083|0.092117|0.073497|2.542868|2.394264|2.079816|2.734581|2.229613|3.460118|2.932945|2.851192|2.421733|2.188269|12.386791|0.065175|0.066944|0.087763|0.080445|0.129826|0.115475|0.241191|0.180202|0.148638|0.142031|0.500000| |2.813210|2.986776|3.732910|4.690938|4.094671|3.158285|4.489176|6.718728|12.356809|0.182537|7.204421|17.619187|8.720853|0.212577|6.761334|8.336487|3.774275|3.602091|2.893416|2.540686|2.602673|3.075880|2.936928|3.804156|0.087269|0.070519|2.499732|2.277662|1.973609|2.551085|2.049133|3.202633|2.672877|2.533511|2.156037|1.978222|10.131361|0.067557|0.073283|0.103442|0.079257|0.111217|0.108041|0.172884|0.196326|0.224947|0.180694|0.301571|0.500000| |2.095239|2.183630|2.554373|2.953740|2.746150|2.297844|3.030879|3.794655|6.298297|0.127419|3.733873|6.856263|8.832668|0.174781|17.524110|16.511909|6.858052|6.621116|4.497117|3.663679|3.711738|4.646255|4.003305|5.408987|0.133558|0.102881|3.187417|2.920861|2.506767|3.204665|2.568129|4.061515|3.291397|3.006426|2.571546|2.415283|12.470883|0.052214|0.055463|0.071562|0.059911|0.084403|0.075045|0.113216|0.098231|0.100107|0.107741|0.208873|0.164337|0.500000| |2.133492|2.277573|2.716581|3.089116|2.756562|2.298975|2.925587|3.698954|6.281683|0.118228|4.075344|7.051255|8.876519|0.213680|17.574202|16.529633|7.307640|6.949838|4.725702|3.865346|3.931639|4.942976|4.205615|5.111646|0.118800|0.094616|3.058205|2.679321|2.300845|2.888376|2.274552|3.608650|2.887357|2.601470|2.231667|2.116482|10.077205|0.052911|0.058211|0.078238|0.059005|0.078225|0.072820|0.103946|0.101437|0.115911|0.120268|0.178290|0.205534|0.300772|0.500000| |1.709136|1.789760|2.046541|2.264315|2.108067|1.829007|2.257978|2.699172|4.187976|0.082903|2.739517|4.028216|4.659257|0.115474|7.396578|12.478796|8.879973|17.763070|8.945411|5.649218|4.958215|5.614682|4.087004|5.032982|0.113315|0.100808|2.883333|2.589726|2.307077|2.893200|2.216066|3.407737|2.586923|2.340905|2.092249|2.045561|6.969003|0.043339|0.046482|0.058325|0.048071|0.062023|0.057922|0.078739|0.073551|0.076774|0.079311|0.115908|0.111777|0.225446|0.223992|0.500000| |1.414812|1.480090|1.654791|1.777859|1.668432|1.488838|1.753937|2.012109|3.020871|0.060301|2.063435|2.675417|2.982754|0.078904|3.909725|7.442233|5.668787|8.943474|17.736238|8.934960|5.664571|4.950624|3.560171|4.283586|0.089308|0.090370|2.520005|2.279088|2.116219|2.635762|1.948429|2.908534|2.118428|1.923605|1.776148|1.784848|4.767310|0.036411|0.039078|0.047414|0.039434|0.048266|0.045814|0.057960|0.055469|0.058148|0.059736|0.075701|0.075364|0.111724|0.115867|0.217433|0.500000| |1.319092|1.392217|1.544411|1.620689|1.508794|1.365377|1.550089|1.731664|2.623512|0.053134|1.847175|2.233484|2.553536|0.070379|3.132518|6.490064|4.947810|5.628599|8.915500|17.750756|8.909430|5.629330|4.098606|4.717195|0.091420|0.102893|2.785372|2.464824|2.335263|2.824445|2.022862|3.007584|2.112409|1.881563|1.754824|1.806501|4.225983|0.034156|0.037226|0.044760|0.036054|0.042844|0.040384|0.048973|0.047495|0.051522|0.054493|0.061445|0.062270|0.085121|0.089228|0.124293|0.214669|0.500000| |1.429716|1.528792|1.704911|1.764917|1.617438|1.464476|1.631465|1.802095|2.803080|0.057639|2.010603|2.348122|2.813177|0.080231|3.333127|7.572679|5.647359|4.953676|5.670710|8.936274|17.708756|8.931443|7.040883|7.114296|0.124191|0.155777|4.023816|3.300786|3.061856|3.503606|2.470647|3.783369|2.581785|2.210071|2.033873|2.122196|4.766645|0.036924|0.041099|0.050059|0.038323|0.045291|0.041962|0.050185|0.048880|0.055153|0.060954|0.062873|0.064348|0.086402|0.091026|0.107602|0.124483|0.215512|0.500000| |1.645711|1.788388|2.016458|2.061053|1.850857|1.669886|1.829936|2.002037|3.213436|0.067192|2.354281|2.638464|3.319029|0.099131|3.684886|8.894178|5.589793|4.185463|3.990746|4.768721|7.289763|8.883886|17.643910|12.401848|0.181382|0.218653|6.983864|4.699478|3.977689|4.291381|3.072630|5.023905|3.394935|2.747864|2.444562|2.542940|5.790233|0.042230|0.048205|0.060115|0.043174|0.050965|0.046327|0.054792|0.053644|0.063198|0.073880|0.068511|0.070892|0.091016|0.096270|0.096072|0.090774|0.113447|0.224086|0.500000| |1.925548|2.120761|2.459798|2.537846|2.221724|1.962524|2.182627|2.428633|4.064898|0.084896|3.004856|3.401108|4.602577|0.146089|4.985679|12.999792|6.860629|4.637336|3.971145|4.243673|5.763893|8.806610|17.641382|12.436480|0.224422|0.180990|6.863303|4.587749|3.618163|4.082871|3.103360|5.314369|3.899262|3.103497|2.632242|2.630044|7.776769|0.048681|0.056543|0.074246|0.050066|0.060378|0.054346|0.065623|0.064750|0.079866|0.097775|0.085167|0.090574|0.114027|0.126799|0.109199|0.090442|0.098137|0.148233|0.301225|0.500000| |1.692472|1.832192|2.031175|2.050133|1.859634|1.703928|1.819985|1.929659|3.081224|0.066522|2.259888|2.409389|2.983310|0.087982|3.049539|6.840546|3.772363|3.013416|2.820868|3.131176|4.018901|4.675161|7.034794|12.386763|0.180330|0.218935|17.638333|9.042224|6.922086|6.438141|4.453185|7.652181|4.576323|3.480699|3.115390|3.379319|5.676426|0.043713|0.049674|0.060032|0.044166|0.051643|0.045870|0.052670|0.050763|0.058929|0.071016|0.062961|0.062928|0.077920|0.076842|0.074057|0.067766|0.078365|0.118776|0.218153|0.174596|0.500000| |2.003543|2.195631|2.483613|2.512761|2.235446|2.019554|2.163469|2.295013|3.790397|0.083397|2.802132|2.926299|3.776267|0.114629|3.626815|8.125145|4.028646|3.125764|2.777990|2.928352|3.638294|4.572129|6.851797|12.355139|0.221624|0.180966|17.610805|8.826583|5.601186|5.953201|4.691926|9.235318|6.346392|4.411404|3.612248|3.677886|7.483341|0.051069|0.058994|0.073919|0.051678|0.061543|0.053546|0.061871|0.059592|0.071263|0.090903|0.074682|0.074826|0.090073|0.088701|0.078632|0.066872|0.071902|0.100353|0.172939|0.207219|0.301814|0.500000| |1.475875|1.556853|1.680942|1.710659|1.604783|1.496276|1.597060|1.663732|2.563841|0.055859|1.834142|1.974191|2.330498|0.065530|2.390290|5.031107|2.821601|2.436013|2.347763|2.564601|3.031537|3.240782|3.881934|6.887732|0.121583|0.156833|6.412610|8.713650|17.757821|12.323781|6.087703|8.029355|4.171678|3.442991|3.462651|4.242171|4.557990|0.038662|0.042193|0.048408|0.039514|0.046076|0.040777|0.046207|0.043502|0.047792|0.055675|0.053331|0.051216|0.064527|0.060280|0.061592|0.058404|0.066643|0.089063|0.112792|0.096079|0.192064|0.135853|0.500000| |2.365896|2.534308|2.877980|3.032088|2.754353|2.450281|2.710267|2.827914|4.764921|0.112907|3.337669|3.519520|4.552453|0.128418|3.953309|7.993602|3.620945|2.941800|2.525895|2.507994|2.896879|3.586645|4.354088|7.751098|0.188616|0.131885|6.561340|6.815199|4.708665|6.009556|5.696580|12.385202|17.763049|8.950524|5.596225|4.936455|10.969962|0.059598|0.066143|0.082149|0.062775|0.080050|0.065393|0.076763|0.070324|0.080555|0.106927|0.090997|0.084587|0.102312|0.091661|0.078161|0.062347|0.061748|0.076422|0.104479|0.129502|0.134686|0.215830|0.106378|0.500000| |2.569791|2.616012|2.843384|3.059952|2.984746|2.727555|3.004237|2.940011|4.640232|0.114910|3.126869|3.177322|3.617495|0.096301|3.091868|5.630830|2.661805|2.331078|2.039760|1.984287|2.180502|2.549006|2.828904|4.620740|0.107417|0.086910|3.661071|4.142969|3.475615|5.053479|4.967331|7.810168|9.110787|17.756481|8.733895|5.638518|8.710202|0.065440|0.067235|0.076757|0.071727|0.094371|0.072489|0.081067|0.070877|0.074327|0.093240|0.085984|0.075489|0.085129|0.073781|0.064384|0.052045|0.049966|0.057649|0.070765|0.081855|0.085227|0.109034|0.080888|0.215200|0.500000| |2.005789|2.003197|2.098276|2.209689|2.212139|2.103198|2.256369|2.197293|3.268669|0.076284|2.226635|2.307849|2.539669|0.067603|2.338273|4.313671|2.168445|1.958950|1.774251|1.748709|1.895858|2.127319|2.315222|3.783329|0.083809|0.075361|3.021021|3.679973|3.481983|5.689380|5.645744|6.799694|5.660153|8.777638|17.744840|9.044695|5.549191|0.052780|0.052679|0.056818|0.057055|0.070026|0.056942|0.061884|0.054512|0.055230|0.064757|0.064274|0.056876|0.066038|0.057427|0.053860|0.045907|0.044899|0.050984|0.059887|0.064426|0.073656|0.084092|0.081373|0.123511|0.211737|0.500000| |1.642557|1.668435|1.754077|1.818066|1.784230|1.695275|1.808078|1.806913|2.697623|0.060990|1.868750|1.974929|2.214882|0.059762|2.137001|4.097612|2.143202|1.934954|1.796821|1.815707|1.987388|2.181424|2.396066|4.014477|0.085083|0.083430|3.297605|4.381987|4.754330|9.412349|8.874339|7.711564|4.936220|5.589453|8.938525|17.766200|4.636549|0.043457|0.044584|0.048534|0.045774|0.054396|0.046218|0.050901|0.045905|0.047438|0.054935|0.054835|0.049733|0.060130|0.053034|0.052077|0.046332|0.047088|0.054518|0.063578|0.064504|0.082579|0.086334|0.108916|0.107344|0.123146|0.213651|0.500000| 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