Version2.1 2020-12-30T16:11:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCC[C@@H]1CN(Cc2cc3ccc(cc3[nH]c2=O)C)C(=S)Nc4ccc(cc4C)C C12635429 RHF 6-31G(d) (6D,7F) CC[NH+]1CCC[C@@H]1CN(Cc2cc3ccc(cc3[nH]c2=O)C)C(=S)Nc4ccc(cc4C)C C01[X(C27H35N4O1S1)] 198 C1 569 CC[NH+]1CCC[C@@H]1CN(C(=S)Nc1ccc(cc1C)C)Cc1cc2ccc(cc2[nH]c1=O)C CC[NH+]1CCC[C@@H]1CN(C(=S)Nc1ccc(cc1C)C)Cc1cc2ccc(cc2[nH]c1=O)C CC[NH+]1CCC[C@@H]1CN(CC2=Cc3ccc(C)cc3NC2=O)C(=S)Nc4ccc(C)cc4C InChIKey=ZGUFGJSQCKAGRG-HSZRJFAPSA-O InChI=1S/C27H34N4OS/c1-5-30-12-6-7-23(30)17-31(27(33)29-24-11-9-18(2)13-20(24)4)16-22-15-21-10-8-19(3)14-25(21)28-26(22)32/h8-11,13-15,23H,5-7,12,16-17H2,1-4H3,(H,28,32)(H,29,33)/p+1/t23-/m1/s1 InChI=1/C27H34N4OS/c1-5-30-12-6-7-23(30)17-31(27(33)29-24-11-9-18(2)13-20(24)4)16-22-15-21-10-8-19(3)14-25(21)28-26(22)32/h8-11,13-15,23H,5-7,12,16-17H2,1-4H3,(H,28,32)(H,29,33)/p+1/t23-/m1/s1/fC27H35N4OS/h28-30H/q+1 CC[NH+]1CCC[C@@H]1CN(Cc2cc3ccc(cc3[nH]c2=O)C)C(=S)Nc4ccc(cc4C)C C01[X(C27H35N4O1S1)] 198 C01 569 CC[NH+]1CCC[C@@H]1CN(C(=S)Nc1ccc(cc1C)C)Cc1cc2ccc(cc2[nH]c1=O)C CC[NH]1CCC[C@@H]1CN([C]([NH][C]1[CH][CH][C]([CH][C]1C)C)S)C[C]1=[CH][C]2[CH][CH][C]([CH][C]2N[C]1[O])C CC[NH]1CCC[C@@H]1CN(CC2=C[C]3[CH][CH][C](C)[CH][C]3N[C]2[O])[C](S)N[C]4[CH][CH][C](C)[CH][C]4C InChIKey=GJYZTZVUDQMDQH-HSZRJFAPSA-N InChI=1S/C27H36N4OS/c1-5-30-12-6-7-23(30)17-31(27(33)29-24-11-9-18(2)13-20(24)4)16-22-15-21-10-8-19(3)14-25(21)28-26(22)32/h8-11,13-15,23,29-30,33H,5-7,12,16-17H2,1-4H3,(H,28,32)/t23-/m1/s1 InChI=1/C27H36N4OS/c1-5-30-12-6-7-23(30)17-31(27(33)29-24-11-9-18(2)13-20(24)4)16-22-15-21-10-8-19(3)14-25(21)28-26(22)32/h8-11,13-15,23,29-30,33H,5-7,12,16-17H2,1-4H3,(H,28,32)/t23-/m1/s1/f/h28H 3574.7167100136 -1732.8652371 1-A 20350.8960 124 445 569 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916.4731 920.3781 932.9161 934.8252 964.4233 973.1234 977.5484 993.0887 998.3499 1006.4788 1018.9892 1037.2719 1042.8627 1054.0208 1082.6158 1094.7222 1097.8731 1098.0453 1101.2831 1106.0287 1114.6380 1127.6664 1132.1062 1156.0720 1169.9765 1172.0212 1172.3578 1174.3451 1216.2062 1223.1957 1232.4614 1236.3956 1242.2392 1249.2549 1280.3950 1285.5304 1294.3615 1305.5022 1308.6453 1322.6865 1334.7183 1345.4379 1354.9279 1382.3144 1385.6503 1397.8492 1401.6915 1420.6622 1425.3412 1430.9128 1436.9817 1449.1784 1451.1698 1482.5943 1488.8363 1499.6454 1511.1944 1518.9429 1521.1719 1531.6053 1546.6190 1558.9198 1562.4356 1563.6969 1566.9919 1568.2665 1568.6295 1574.0469 1586.0806 1616.9904 1626.7355 1630.2535 1631.2725 1634.3711 1634.9982 1635.8073 1636.0055 1639.6570 1641.2306 1644.4069 1645.2967 1650.7059 1657.8746 1663.2313 1672.4709 1676.2900 1680.0598 1690.2517 1698.5069 1761.7738 1779.4979 1805.1277 1818.9717 1826.6607 1845.4288 3193.5206 3209.4281 3214.3339 3227.5056 3231.1777 3238.8033 3258.7500 3265.4121 3268.1733 3273.0414 3274.7786 3285.3671 3288.9139 3289.0724 3290.7726 3296.7946 3298.0839 3298.9315 3301.6031 3306.3394 3309.0495 3329.3235 3330.9437 3359.9019 3363.8438 3364.3061 3366.5777 3371.3533 3384.7919 3386.2193 3386.9809 3389.8058 3422.4527 3840.1070 3875.0977 4.5090 4.1790 1.0257 3.9678 4.2815 4.5462 5.7150 4.7749 3.7389 1.1888 3.4687 3.5152 3.7115 3.1088 1.0512 5.2462 4.1213 2.1901 5.0420 2.8244 2.8543 2.7665 2.7775 2.5505 3.2383 2.8005 3.3721 3.4182 4.3022 2.8945 3.4945 4.7030 3.6098 2.7414 2.4782 3.3792 2.6565 2.7847 2.6078 2.8021 2.9534 3.3442 2.8662 3.6492 2.7922 2.3891 4.8412 3.3345 2.9595 4.6584 2.4864 3.9206 3.4940 5.3982 3.4930 7.8012 2.1345 2.9615 2.8195 5.3677 4.0496 4.1902 3.9174 2.0644 4.5333 3.2282 1.8008 3.4059 1.9240 1.3290 2.9769 1.7431 1.6273 1.4363 2.4241 2.8058 1.3355 2.5466 2.4084 2.2155 2.0379 2.7087 1.5011 2.0489 1.6338 1.8458 1.4367 1.7334 1.7329 1.5715 2.3589 2.7426 1.8633 1.6607 1.5658 1.6096 2.0034 2.0920 2.2857 2.1762 2.0214 2.2745 1.7862 2.0545 2.1815 2.2702 2.2518 1.7425 1.4942 1.8257 1.8143 2.6716 2.2645 1.3762 1.9645 1.4241 3.1460 1.4083 1.3040 2.5491 1.1967 1.4774 3.2729 1.3182 1.4152 1.5146 1.4941 1.5145 1.6515 1.3480 1.5803 1.6695 1.2597 1.4090 1.2492 1.7847 1.2543 1.8072 1.0438 1.0615 1.0952 1.0654 1.0931 1.0598 1.0974 1.0944 1.1773 1.4041 1.1586 1.1245 1.0969 1.1091 1.6470 1.1985 2.6495 1.1939 2.0811 6.9362 6.2137 5.0108 5.8197 6.3515 4.8886 1.0484 1.0388 1.0374 1.0702 1.0365 1.0680 1.0902 1.0678 1.0999 1.1025 1.0847 1.0651 1.1040 1.0705 1.0706 1.0983 1.1033 1.1024 1.1041 1.1027 1.0964 1.1051 1.1070 1.0918 1.1079 1.0926 1.0897 1.0895 1.0945 1.0965 1.0947 1.0967 1.0844 1.0785 1.0758 0.0008 0.0012 0.0004 0.0020 0.0034 0.0047 0.0086 0.0095 0.0110 0.0038 0.0131 0.0139 0.0261 0.0281 0.0122 0.0654 0.0571 0.0364 0.1026 0.0622 0.0773 0.0814 0.0915 0.0989 0.1326 0.1225 0.1590 0.1817 0.2317 0.1705 0.2645 0.3733 0.2929 0.2517 0.2564 0.3727 0.3056 0.3280 0.3171 0.3782 0.4283 0.4901 0.4534 0.5891 0.4724 0.4367 0.9996 0.6934 0.6461 1.0377 0.5762 0.9915 0.9013 1.4777 0.9814 2.3052 0.6461 0.9823 0.9602 1.9553 1.5568 1.6526 1.5577 0.8415 2.0324 1.4860 0.8422 1.6441 0.9521 0.6633 1.5265 0.8975 0.8918 0.8014 1.3648 1.6304 0.7843 1.5199 1.4734 1.4045 1.3058 1.7730 1.0366 1.4467 1.1603 1.3113 1.0267 1.2494 1.2685 1.1774 1.7813 2.1596 1.5028 1.3440 1.2680 1.3079 1.7460 1.8442 2.0455 1.9600 1.8379 2.0914 1.7253 2.0004 2.1534 2.2796 2.2721 1.7962 1.5684 1.9472 1.9624 3.0077 2.5617 1.5844 2.2741 1.6934 3.7657 1.6989 1.5865 3.1541 1.4848 1.9133 4.2744 1.7467 1.9041 2.0589 2.0370 2.0932 2.3276 1.9302 2.2729 2.4052 1.8224 2.0418 1.8110 2.6053 1.8592 2.7840 1.6274 1.6621 1.7170 1.6767 1.7217 1.6709 1.7305 1.7335 1.8684 2.2370 1.8479 1.8054 1.7763 1.8078 2.7143 1.9842 4.4061 2.0097 3.5374 12.6844 11.5930 9.6199 11.3450 12.4865 9.8091 6.2998 6.3042 6.3148 6.5680 6.3759 6.6004 6.8212 6.7083 6.9218 6.9590 6.8536 6.7735 7.0358 6.8233 6.8306 7.0332 7.0706 7.0684 7.0912 7.1021 7.0732 7.2168 7.2363 7.2615 7.3862 7.2860 7.2769 7.2961 7.3882 7.4081 7.3991 7.4248 7.4837 9.3705 9.5182 0.1550 1.0215 0.1127 1.9023 0.8545 0.2148 3.3145 1.6257 7.5407 0.3745 0.0690 1.9380 1.9416 2.6662 0.1542 3.1789 5.2410 6.7631 6.4013 0.7144 1.0314 1.8257 2.9544 2.4346 8.4268 1.8629 6.8015 2.6550 1.7632 1.6350 3.2990 0.7837 5.6986 3.1156 15.0791 2.9008 16.2948 7.9069 10.0391 14.0964 2.2632 48.2739 16.5181 10.0744 15.2387 10.5220 2.5259 1.7894 1.1518 2.4467 6.0223 7.9811 3.5370 5.6679 9.7059 4.9470 54.3494 26.9979 40.3827 7.3937 15.4934 4.8255 5.3562 9.5074 9.6895 0.2197 15.0746 44.1144 7.2662 34.8234 18.4068 14.1658 11.0092 16.5430 8.5753 5.3290 3.6956 9.5819 7.2332 9.1224 51.6318 8.4362 5.2495 7.9550 18.4902 16.9793 2.5904 0.7662 16.1539 8.5859 36.5489 8.6922 56.6412 41.7163 6.7656 7.1615 85.9994 1.0750 5.2880 16.1851 0.2666 22.4623 34.6096 5.8958 30.1609 70.9362 28.1809 74.1366 89.9454 55.3047 3.7014 8.6017 90.8055 4.7204 31.7321 33.9241 13.7692 0.0707 31.2715 5.5166 8.3373 38.3552 377.5751 40.5650 28.9382 61.0179 21.8609 6.5007 99.9131 4.7952 3.0090 56.0521 1.2632 8.3571 0.9397 2.8400 21.0100 100.5418 6.4618 12.3505 4.1222 11.2117 14.4931 0.4263 14.6324 22.1002 8.0695 10.0999 21.6702 14.4145 5.8062 5.7313 25.5197 85.5880 15.6090 56.0666 341.0384 75.9247 0.1410 103.8797 11.0028 69.5746 1547.5413 47.5646 30.6921 22.4402 7.7870 6.4225 18.1007 18.5890 7.3541 23.8056 14.2193 15.3912 20.9184 18.8867 44.5864 3.2657 17.6613 17.9619 22.1520 4.5563 10.1507 20.3352 9.8481 21.0555 19.5913 14.9501 10.4464 12.7271 2.7281 2.2214 13.5705 3.5400 9.5434 1012.5352 78.0083 25.3648 1.9640 2.2175 0.4706 3.4040 1.7352 4.2201 1.6924 2.9773 2.9916 0.6257 1.3391 0.3202 0.2715 0.7863 0.1689 0.4133 0.3309 0.4205 1.0055 0.5269 1.1834 1.7231 0.6150 0.4096 0.3693 0.9568 0.4463 0.3649 1.0581 1.1291 3.0678 5.2204 0.9109 1.0241 0.3705 2.7619 5.0418 3.5214 4.9541 8.5379 0.2073 2.2449 0.3493 3.5149 3.8697 4.5542 0.6113 0.3290 3.0811 8.0117 0.7576 1.2063 0.3793 2.4688 2.3554 3.6674 2.8064 8.3175 1.6506 18.2887 13.3026 6.7496 4.4058 12.5938 7.6788 8.9001 2.6755 3.5862 1.4959 2.7274 4.8736 0.6842 1.1955 2.6373 4.1980 9.8056 2.7661 1.5445 4.2680 4.1271 14.3864 5.4459 2.4833 9.4692 3.6070 4.8115 1.8135 2.1418 3.0786 5.9719 7.9651 3.5301 7.5033 1.8460 0.1680 0.7632 2.7739 2.2826 7.7960 2.3148 2.1082 7.1043 2.4779 17.5625 7.3841 2.1549 4.2760 8.6695 15.9854 2.7197 10.3034 8.9889 119.5160 8.0058 15.3133 15.4957 342.9640 2.1483 4.7972 52.1004 25.7490 2.5360 7.8531 12.1176 5.8863 37.5155 46.5721 4.5251 20.7992 4.4485 4.0310 24.0946 8.2926 9.5724 36.5925 10.7632 6.8509 53.6506 22.1824 18.7005 20.0187 15.6119 24.1232 10.2832 7.6017 18.4863 24.7596 13.1500 10.6329 6.8944 3.3235 2.0554 7.5702 12.2650 16.5752 3.6717 27.5626 162.0013 16.9650 9.9138 54.8585 218.9735 243.6325 105.6438 183.5373 253.8891 70.7166 123.0310 51.0219 69.5429 52.7168 90.6198 127.9213 85.5451 37.5558 71.8611 156.7926 74.0430 96.4545 71.2009 61.9540 59.0944 83.4313 126.1515 34.3167 21.3044 95.3469 60.0073 75.5777 62.1369 57.2109 10.2567 111.9311 60.2002 167.8115 143.0388 54.7408 94.1325 0.7388 0.7490 0.7461 0.7403 0.7305 0.7500 0.7084 0.7209 0.7452 0.7497 0.6827 0.6157 0.6034 0.2236 0.5921 0.5453 0.7494 0.0544 0.6312 0.7421 0.5965 0.7137 0.2241 0.7193 0.4008 0.5830 0.6826 0.5979 0.7180 0.5233 0.6256 0.7500 0.6356 0.2109 0.3370 0.1866 0.7242 0.4234 0.3823 0.1841 0.7462 0.5434 0.6211 0.1565 0.7370 0.7500 0.2942 0.6917 0.2989 0.3977 0.3193 0.7500 0.7054 0.5638 0.5282 0.1948 0.7418 0.1830 0.7450 0.1200 0.1250 0.4354 0.2646 0.0187 0.1662 0.0827 0.4104 0.4263 0.6570 0.6171 0.2744 0.7007 0.4078 0.7451 0.7296 0.1516 0.7244 0.5946 0.4113 0.2746 0.3141 0.1098 0.3707 0.1634 0.7299 0.7385 0.2470 0.7497 0.6454 0.5305 0.4775 0.7429 0.7427 0.5257 0.6737 0.5848 0.5633 0.6115 0.1763 0.3536 0.7330 0.2863 0.7053 0.4338 0.3645 0.2676 0.6126 0.5238 0.5248 0.4103 0.1843 0.1610 0.3174 0.2327 0.3660 0.7446 0.2415 0.7497 0.6272 0.2129 0.3518 0.3284 0.1894 0.4359 0.5214 0.2168 0.2501 0.2138 0.7446 0.6339 0.5022 0.2651 0.6672 0.3078 0.3879 0.6177 0.5912 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61 62 63 64 65 66 67 68 6 6 7 1 6 6 6 6 1 6 7 6 6 6 6 6 6 6 6 6 7 1 6 8 6 6 16 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 31.97207 14.00307 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 1.00783 12466.3467 25486.0268 34127.0631 1.00000 0.00185 -0.00187 -0.00187 0.99996 -0.00838 0.00185 0.00838 0.99996 1 0.00695 0.00340 0.00254 0.14477 0.07081 0.05288 24.36 31.17 38.57 42.21 52.70 60.04 72.74 83.53 101.66 105.88 115.34 118.05 157.14 178.25 201.59 209.21 220.55 241.49 267.42 278.27 308.50 321.48 340.27 369.04 379.28 392.10 407.03 432.18 435.01 454.87 515.70 528.11 533.91 567.96 602.89 622.54 635.78 643.32 653.62 688.65 713.81 717.57 745.48 753.14 771.04 801.38 851.72 854.73 875.81 884.68 902.31 942.64 952.02 980.69 993.58 1018.93 1031.26 1079.55 1093.87 1131.31 1162.18 1177.17 1181.98 1196.69 1255.06 1271.73 1281.91 1302.34 1318.60 1324.22 1342.26 1345.00 1387.59 1400.11 1406.47 1428.83 1436.40 1448.10 1466.10 1492.40 1500.45 1516.50 1557.64 1575.06 1579.59 1579.84 1584.50 1591.33 1603.72 1622.46 1628.85 1663.33 1683.34 1686.28 1686.76 1689.62 1749.85 1759.91 1773.24 1778.90 1787.31 1797.40 1842.20 1849.59 1862.30 1878.33 1882.85 1903.05 1920.36 1935.79 1949.44 1988.84 1993.64 2011.19 2016.72 2044.02 2050.75 2058.76 2067.50 2085.04 2087.91 2133.12 2142.10 2157.66 2174.27 2185.42 2188.63 2203.64 2225.24 2242.94 2248.00 2249.81 2254.55 2256.39 2256.91 2264.70 2282.02 2326.49 2340.51 2345.57 2347.04 2351.50 2352.40 2353.56 2353.85 2359.10 2361.36 2365.93 2367.22 2375.00 2385.31 2393.02 2406.31 2411.81 2417.23 2431.90 2443.77 2534.80 2560.30 2597.18 2617.09 2628.16 2655.16 4594.76 4617.65 4624.71 4643.66 4648.94 4659.92 4688.61 4698.20 4702.17 4709.18 4711.68 4726.91 4732.01 4732.24 4734.69 4743.35 4745.21 4746.43 4750.27 4757.08 4760.98 4790.15 4792.49 4834.15 4839.82 4840.49 4843.75 4850.63 4869.96 4872.01 4873.11 4877.17 4924.15 5525.06 5575.40 0.629501 0.659901 0.660845 0.564398 -1732.235737 -1732.205336 -1732.204392 -1732.300839 3.234848D-04 MUNgauss RevisionA2.0 retrievium 30-Dec-2020 DUDE CC[NH+]1CCC[C@@H]1CN(Cc2cc3ccc(cc3[nH]c2=O)C)C(=S)Nc4ccc(cc4C)C C12635429 RHF 6-31G(d) (6D,10F) C1 463.253159 |X|Y|Z| 77.815453 114.142154 35.596299 68.124855 26 6 7 22 4 |36.858105| |12.517460|36.858105| |7.578951|12.697532|53.358707| |7.322776|9.244586|25.367009|0.500000| |6.046454|7.566919|17.157006|0.257974|36.858105| |4.354235|5.658282|10.793958|0.167321|12.527589|36.858105| |3.923877|5.282587|10.703147|0.175107|8.034107|12.498074|36.858105| |4.928338|7.554555|16.985082|0.253533|7.781308|7.897010|12.429734|36.858105| |4.826588|7.797072|12.370492|0.187057|6.204100|6.667919|8.828237|17.613058|0.500000| |4.080834|5.411410|10.154509|0.211566|5.245189|5.079461|7.475633|12.410890|0.244200|36.858105| |4.078960|5.185453|8.046340|0.175066|4.143599|3.860004|4.914534|7.465984|0.192927|13.094283|53.358707| |4.527922|5.174691|7.596010|0.185362|3.958741|3.431034|4.000710|5.626963|0.142730|7.651775|17.640106|36.858105| |3.832840|4.076922|6.366239|0.163235|3.654920|3.146909|3.623308|4.586324|0.111018|6.205187|10.231153|12.602465|36.858105| |3.043805|3.184909|4.805645|0.115558|2.923817|2.615264|2.992732|3.578717|0.089725|4.707505|7.680256|7.585760|14.126714|36.858105| |2.647061|2.697646|4.088639|0.097334|2.623074|2.357072|2.639280|2.993718|0.074873|3.726553|5.530332|4.955974|7.806141|13.268565|36.858105| |2.229604|2.267856|3.364959|0.077568|2.203751|2.025035|2.251121|2.497478|0.063836|3.030505|4.489621|3.800209|5.101028|7.612234|13.554376|36.858105| |2.007384|2.017723|2.990998|0.068340|2.013025|1.856979|2.031656|2.197970|0.056236|2.584011|3.700913|3.058435|3.929498|5.090954|7.912332|13.943072|36.858105| |2.045365|2.031322|3.043980|0.070053|2.089181|1.908361|2.059712|2.196450|0.055592|2.533030|3.520523|2.911881|3.768613|4.497881|6.801321|7.898279|13.520771|36.858105| |2.345161|2.314976|3.534849|0.083229|2.427157|2.171652|2.337011|2.502872|0.062238|2.888748|3.946681|3.331537|4.524259|5.122863|7.853483|6.853731|7.926049|13.837364|36.858105| |2.734768|2.729926|4.226025|0.102458|2.796430|2.463517|2.701280|2.990512|0.073394|3.582201|4.986192|4.406614|6.768005|7.858817|13.695016|7.928948|6.892796|7.932583|13.645072|36.858105| |3.300593|3.268541|5.245674|0.133914|3.453274|2.917862|3.168543|3.550606|0.084607|4.184744|5.597831|5.068444|7.975424|7.009878|8.010935|5.208433|4.595124|5.191083|7.880373|13.782332|53.358707| |3.245466|3.148882|5.076778|0.128032|3.515447|2.935635|3.093243|3.349678|0.079736|3.749829|4.844653|4.204882|5.808663|5.127153|5.804095|4.272814|4.031624|4.793431|7.308704|9.239389|25.970653|0.500000| |4.106758|4.179659|6.933334|0.192152|4.196625|3.428372|3.800162|4.571480|0.106063|5.578545|7.563466|7.488153|13.090987|7.879772|6.739914|4.502317|3.780686|3.943230|5.165835|7.837233|19.203610|0.265615|36.858105| |5.139523|5.179221|9.300301|0.297557|5.583357|4.166949|4.435176|5.380215|0.120179|5.855671|7.273961|6.632246|8.025839|5.351653|4.696111|3.488922|3.061837|3.234199|4.101029|5.399629|11.622680|0.221622|15.461399|73.516695| |1.797273|1.774802|2.636331|0.059685|1.847196|1.703988|1.813683|1.898935|0.048467|2.135397|2.932236|2.372686|2.916210|3.316745|4.420950|5.034949|7.552435|12.630278|7.580731|5.020564|5.259114|0.105449|3.080398|4.732115|36.858105| |3.299935|4.053996|5.852997|0.121323|3.288047|3.219275|4.027392|5.411557|0.155598|7.722436|18.862829|7.727764|5.445880|4.830482|3.598044|3.101162|2.558536|2.374893|2.570371|3.140729|4.525965|0.081017|4.116473|6.899461|2.003489|36.858105| |2.823230|3.223548|4.450752|0.094444|2.624313|2.529783|2.985074|3.721803|0.106155|4.764980|9.618336|6.235911|4.901527|4.946515|3.678124|3.324975|2.687656|2.408834|2.528323|3.053230|4.173673|0.074190|3.612273|5.812749|2.028410|11.349968|388.023441| |2.998865|3.763794|5.461457|0.107373|3.198351|3.320487|4.273610|5.412921|0.165930|6.919088|11.320052|5.220000|4.087332|3.699496|2.963423|2.626897|2.236891|2.100911|2.256199|2.671033|3.850780|0.070898|3.384494|5.889505|1.810028|14.176049|51.283506|53.358707| |2.483850|2.994615|4.227153|0.083208|2.610668|2.748037|3.382507|3.923876|0.119978|4.594612|7.068067|3.860106|3.226764|3.076947|2.562420|2.358843|2.038267|1.898682|1.996342|2.303552|3.237882|0.060283|2.734725|4.728072|1.660705|7.679004|43.926146|18.053854|36.858105| |2.170962|2.550097|3.682184|0.073655|2.347235|2.482619|3.046213|3.352018|0.097683|3.986081|5.819309|3.342840|2.977471|2.944054|2.521806|2.374693|2.066715|1.911200|1.982327|2.257143|3.108436|0.057984|2.554171|4.349455|1.680144|5.761825|36.834596|10.685191|13.790756|36.858105| |1.897728|2.185505|3.102696|0.061953|2.024451|2.145008|2.546652|2.729384|0.079796|3.098338|4.469306|2.717599|2.467974|2.473541|2.177486|2.095705|1.856216|1.716889|1.758789|1.964218|2.680607|0.050531|2.160434|3.694521|1.532231|4.151138|28.818772|7.007008|7.947192|13.776761|36.858105| |1.845034|2.116505|2.929587|0.057958|1.916348|2.028304|2.352623|2.532862|0.075710|2.770138|4.037358|2.503440|2.238689|2.222146|1.959327|1.885345|1.680913|1.562833|1.602175|1.781134|2.445427|0.046381|1.974690|3.414178|1.404169|3.696856|26.166294|6.150782|6.850965|7.924987|13.726210|36.858105| |2.031721|2.359053|3.194406|0.062497|2.058569|2.173046|2.507747|2.766678|0.085206|2.965997|4.413653|2.709962|2.346320|2.283797|1.982646|1.880871|1.668201|1.558576|1.612636|1.807678|2.513171|0.047644|2.060546|3.599043|1.394800|4.106988|28.503648|7.003600|8.006908|6.934073|7.984414|13.700312|36.858105| |2.380033|2.839756|3.836440|0.074532|2.399562|2.524029|2.974981|3.416833|0.108037|3.706327|5.686591|3.326050|2.767602|2.634933|2.229192|2.072101|1.813877|1.697755|1.777822|2.025869|2.852496|0.053688|2.391186|4.192801|1.502106|5.624680|36.102086|10.580541|13.690701|7.898554|6.821956|7.827645|13.731199|36.858105| |2.669675|3.222904|4.134200|0.078937|2.545529|2.644303|3.024722|3.584119|0.118764|3.670493|5.732994|3.443978|2.765942|2.566527|2.159866|1.984125|1.741512|1.644845|1.737482|1.985138|2.838394|0.053686|2.410469|4.307264|1.456888|5.311835|33.587742|8.932858|7.523720|5.009109|4.427742|4.995591|7.561994|12.615458|36.858105| |1.616005|1.820498|2.506773|0.049740|1.669494|1.763158|2.000843|2.115710|0.062634|2.273878|3.272472|2.097406|1.912738|1.915224|1.723221|1.680921|1.519957|1.416043|1.439557|1.577764|2.152541|0.041134|1.712839|2.965193|1.287445|2.870270|20.778416|4.528326|4.439769|5.020212|7.547084|12.612261|7.559291|4.997987|3.783377|36.858105| |17.595394|8.735596|9.118822|0.177258|6.509111|4.512492|3.806344|4.419997|0.117722|3.616591|4.716530|3.750077|3.361085|2.730788|2.446610|2.079062|1.902683|1.964882|2.258607|2.581269|4.252227|0.087905|3.742032|8.442753|1.747728|2.858116|17.526440|3.615633|2.239037|1.989096|1.755115|1.705107|1.859842|2.146658|2.374353|1.507211|0.500000| |17.583764|8.795148|9.403479|0.218425|5.385380|3.896073|3.679576|4.652474|0.121595|4.172464|5.851762|5.199559|4.515126|3.490311|3.017261|2.491377|2.227159|2.277334|2.648066|3.144363|5.285339|0.105144|4.963739|11.205891|1.976093|3.401826|21.106720|4.065752|2.463850|2.174100|1.893457|1.825111|1.992236|2.328632|2.566968|1.598529|0.301355|0.500000| |17.584344|8.938966|7.555428|0.147340|4.626279|3.654848|3.345804|4.116017|0.117725|3.515478|4.969871|4.029768|3.377381|2.775787|2.420675|2.078069|1.875362|1.893954|2.135861|2.460282|3.915297|0.078100|3.476082|7.268226|1.676811|3.091300|19.378612|3.848834|2.392456|2.080630|1.839294|1.812019|2.012447|2.344419|2.683524|1.596011|0.302759|0.301542|0.500000| |8.777091|17.601744|12.392909|0.181007|7.181050|6.082936|5.275934|6.760580|0.214271|4.653584|5.913053|4.116393|3.355901|2.730839|2.358975|2.024672|1.821469|1.833423|2.064178|2.384515|3.802037|0.075638|3.424946|7.306849|1.623007|3.620725|20.654818|4.822537|2.898995|2.466778|2.140745|2.097930|2.353271|2.810897|3.236809|1.813980|0.210201|0.172335|0.210721|0.500000| |8.854538|17.638826|12.430831|0.215134|5.593484|4.671638|4.813389|7.342209|0.231775|5.844320|8.563831|6.191332|4.412873|3.440910|2.821518|2.375477|2.080648|2.059086|2.321988|2.769108|4.413149|0.084462|4.194552|8.655769|1.785505|4.905886|27.200451|6.002892|3.418716|2.825295|2.393312|2.326946|2.636659|3.254474|3.796646|1.975653|0.172609|0.209762|0.216713|0.302532|0.500000| |5.181416|5.774145|12.366116|0.247518|17.633406|8.793253|6.891747|6.413058|0.138621|5.013914|5.364799|3.886856|3.827020|3.061803|2.811137|2.337027|2.152315|2.271972|2.689639|3.091521|5.354934|0.114785|4.689289|11.570518|2.004960|3.117497|18.021381|4.060702|2.455201|2.253409|1.947205|1.825203|1.933476|2.230556|2.319893|1.598352|0.156259|0.139682|0.111910|0.145321|0.128427|0.500000| |6.895305|7.541780|12.167687|0.199626|17.681746|8.658571|5.707971|5.751276|0.142193|4.181555|4.843867|3.519051|3.242336|2.642589|2.395085|2.036560|1.875638|1.950855|2.251330|2.555661|4.241004|0.089046|3.694645|8.551697|1.742546|2.911091|17.057042|3.844518|2.359577|2.120306|1.856487|1.779886|1.920213|2.216439|2.387456|1.566008|0.237348|0.158608|0.145415|0.212604|0.148037|0.301543|0.500000| |3.653038|4.366183|7.749698|0.133459|8.796024|17.611483|8.697970|5.642859|0.136023|4.174572|4.434191|2.955234|2.808781|2.389145|2.205111|1.914806|1.780365|1.846463|2.096346|2.332903|3.728354|0.077933|3.104516|6.589313|1.667803|2.786663|16.014497|3.918822|2.451629|2.267516|1.987762|1.876304|1.982882|2.258012|2.330381|1.651445|0.108081|0.092898|0.086988|0.128661|0.103132|0.217470|0.196286|0.500000| |4.316703|5.718177|9.187182|0.140875|8.818523|17.557729|8.800720|6.798820|0.186661|4.440631|4.875143|3.174106|2.837802|2.391267|2.146402|1.867457|1.713044|1.746550|1.962562|2.212396|3.500154|0.071374|3.002486|6.328177|1.568673|3.086721|17.409535|4.417751|2.733244|2.435018|2.126683|2.044857|2.219839|2.576278|2.760522|1.782229|0.123922|0.103262|0.104274|0.191770|0.131649|0.173437|0.215948|0.302220|0.500000| |3.527466|4.422521|8.890203|0.165545|6.932546|8.839752|17.542770|8.808903|0.174835|7.292737|6.388869|3.923129|3.779163|3.148332|2.831184|2.400045|2.177142|2.228248|2.551913|2.945848|4.733902|0.094993|4.088097|8.371975|1.956174|3.834743|20.654792|5.400325|3.186387|2.974385|2.488025|2.258846|2.356444|2.751194|2.723074|1.933577|0.096092|0.095429|0.083549|0.117866|0.113571|0.195355|0.139256|0.217127|0.173706|0.500000| |3.353597|4.418466|7.772862|0.132235|5.697262|8.687378|17.598852|8.773946|0.222133|6.299984|6.065142|3.538224|3.182826|2.719769|2.408356|2.097461|1.898401|1.905864|2.124090|2.423673|3.751478|0.074345|3.223519|6.399679|1.691880|3.927472|20.755744|6.062479|3.629443|3.279221|2.748683|2.540360|2.704884|3.198336|3.200792|2.149449|0.090046|0.087058|0.082419|0.127662|0.116921|0.138772|0.125542|0.196397|0.215458|0.302180|0.500000| |3.970146|4.886029|9.589086|0.228968|5.339491|4.883203|6.739829|8.915313|0.174443|17.636846|12.514473|7.411114|7.356102|5.333525|4.312072|3.372392|2.876562|2.871070|3.373048|4.298587|7.170702|0.129345|7.299385|13.441560|2.383572|5.932453|29.908964|7.031604|3.778388|3.457755|2.766327|2.464160|2.582829|3.111305|3.057448|2.066526|0.100108|0.117009|0.093322|0.115154|0.138585|0.154688|0.116820|0.116070|0.113738|0.210720|0.150807|0.500000| |3.358262|4.305388|7.538849|0.150902|4.414588|4.667306|7.217795|8.984292|0.205564|17.638189|12.468189|5.699740|4.990373|4.174921|3.425148|2.885254|2.483092|2.414537|2.696951|3.255396|4.955115|0.091703|4.494149|8.090274|2.057417|7.472575|32.963930|10.795393|5.263495|4.714552|3.537244|3.066204|3.219560|4.015680|3.760570|2.479165|0.084843|0.093973|0.082681|0.109319|0.127724|0.118269|0.099843|0.110631|0.115171|0.203941|0.191580|0.307589|0.500000| |4.031786|4.433574|6.016391|0.138476|3.306293|2.935596|3.346418|4.476676|0.120854|5.653529|12.595439|17.751270|8.957260|7.142131|4.686244|3.777639|3.008834|2.791357|3.093984|3.981461|5.834816|0.100155|5.664972|8.869858|2.288715|7.628677|54.348133|6.829121|3.891630|3.344956|2.755603|2.571083|2.805645|3.434551|3.591146|2.157042|0.092949|0.126997|0.105062|0.101622|0.150750|0.089421|0.084199|0.071259|0.077342|0.090399|0.084978|0.147900|0.129217|0.500000| |6.054529|6.805487|9.379853|0.239689|4.569780|3.738398|4.153373|6.009109|0.152765|6.874745|12.475452|17.634189|9.000962|5.752621|4.228237|3.305494|2.762306|2.701913|3.127944|4.025732|6.624419|0.117186|7.302505|13.459655|2.242425|5.941953|34.503785|6.125004|3.418015|2.942428|2.446878|2.298484|2.513715|3.060315|3.288039|1.949407|0.131008|0.203805|0.143923|0.138564|0.229966|0.121952|0.114763|0.087928|0.096536|0.110076|0.099506|0.185313|0.139795|0.305971|0.500000| |2.819965|2.986721|4.372331|0.101348|2.656191|2.429748|2.792758|3.346959|0.086624|4.385519|7.614163|7.031538|9.098141|17.712073|8.793742|6.967557|4.655273|3.912177|4.155402|5.617821|6.836019|0.110451|5.607651|7.602790|2.997097|5.302050|43.776562|5.371178|3.347695|3.212034|2.692635|2.411742|2.474173|2.854845|2.745934|2.066312|0.069867|0.087987|0.073018|0.072186|0.091699|0.075622|0.067225|0.061556|0.062729|0.080231|0.072088|0.129002|0.111644|0.212131|0.144722|0.500000| |2.132493|2.188797|3.200607|0.072680|2.079757|1.933606|2.160871|2.411907|0.062611|2.936274|4.468417|3.713759|4.675090|6.972729|8.882163|17.716669|8.973441|5.620624|4.941940|5.645019|5.737899|0.098149|3.914070|5.559149|4.101589|3.211064|25.749537|3.686635|2.472996|2.509059|2.224570|1.996802|1.981920|2.172285|2.061012|1.780318|0.054872|0.065557|0.055825|0.054605|0.064531|0.060364|0.053525|0.050586|0.050010|0.063278|0.056605|0.088154|0.078644|0.106449|0.088418|0.209750|0.500000| |1.813277|1.824334|2.675796|0.060283|1.812351|1.689948|1.842163|1.978322|0.051169|2.298973|3.297199|2.673067|3.280672|4.125822|5.632329|8.991434|17.724931|8.859202|5.648419|4.962879|4.966841|0.091466|3.127361|4.649210|7.036198|2.329251|17.659549|2.809771|1.915076|1.959353|1.784605|1.620703|1.597596|1.717342|1.641883|1.479674|0.047870|0.055322|0.047489|0.046185|0.052342|0.053406|0.047177|0.045171|0.043631|0.054512|0.048304|0.069823|0.062100|0.074132|0.067467|0.110447|0.216321|0.500000| |2.322976|2.267215|3.475598|0.081575|2.448682|2.178388|2.302399|2.422351|0.060044|2.719626|3.630853|3.024487|3.949287|4.171626|5.612791|4.941325|5.627179|8.932312|17.708283|8.889189|9.781230|0.219173|4.761240|7.148384|6.995434|2.351624|16.180866|2.853718|1.858335|1.839616|1.640835|1.503213|1.516229|1.667278|1.639313|1.356537|0.063177|0.072580|0.058515|0.056461|0.062166|0.076471|0.063506|0.059079|0.054468|0.070125|0.057859|0.088260|0.070477|0.077363|0.081053|0.096047|0.107326|0.123941|0.500000| |1.718808|1.684797|2.466547|0.055575|1.723042|1.588425|1.680396|1.769298|0.045569|1.974468|2.746083|2.234585|2.697086|3.070587|3.975046|4.629624|6.748164|8.880200|5.911078|4.313709|4.643909|0.092704|2.801625|4.342568|17.557725|1.892191|13.816607|2.325296|1.577758|1.591340|1.460814|1.347882|1.341385|1.439091|1.401484|1.241694|0.046359|0.052491|0.044932|0.042884|0.047246|0.051499|0.045518|0.043080|0.040930|0.049820|0.043700|0.060419|0.052735|0.060754|0.058945|0.078602|0.108868|0.192269|0.152389|0.500000| |1.808395|1.773536|2.645166|0.059910|1.879968|1.726651|1.818317|1.885705|0.047934|2.090928|2.830065|2.284499|2.788813|3.059703|3.947470|4.171477|5.555064|8.832478|7.258764|4.742051|5.262567|0.110325|3.045819|4.775597|17.597231|1.914700|13.571918|2.369959|1.591844|1.602838|1.461917|1.344486|1.339981|1.444627|1.408617|1.233679|0.049321|0.055180|0.046681|0.045136|0.049066|0.057182|0.049432|0.047268|0.044008|0.054660|0.046904|0.065144|0.055760|0.060587|0.060847|0.076001|0.095945|0.140730|0.222105|0.301458|0.500000| |1.680578|1.677788|2.498076|0.056022|1.756566|1.642593|1.758937|1.824780|0.046702|2.056559|2.807671|2.226375|2.693973|3.066498|3.973137|4.630288|6.756274|8.877982|5.902484|4.309413|4.640180|0.092630|2.800503|4.345453|17.557543|1.941666|13.984590|2.411992|1.640595|1.678382|1.538709|1.403799|1.383388|1.480568|1.424087|1.292098|0.045423|0.050824|0.043641|0.042907|0.046964|0.052764|0.045880|0.044831|0.042064|0.052855|0.045947|0.063411|0.055803|0.059728|0.058091|0.078450|0.108895|0.192768|0.152065|0.302346|0.301403|0.500000| |3.199167|4.184843|6.208949|0.116931|3.622808|3.900579|5.247553|6.738346|0.220164|7.847952|10.658777|4.918891|3.881568|3.404073|2.784255|2.447080|2.115648|2.021449|2.193822|2.582150|3.805580|0.071106|3.366225|6.071665|1.753635|9.463513|38.360158|26.089243|9.243810|6.308825|4.492354|4.055067|4.630576|6.667170|6.193357|3.078747|0.079173|0.086572|0.082842|0.111872|0.134033|0.091774|0.087498|0.091946|0.106739|0.129125|0.157424|0.152980|0.259896|0.125349|0.124276|0.097262|0.068900|0.054107|0.057346|0.045847|0.047283|0.047636|0.500000| |2.176088|2.544131|3.775381|0.076605|2.417731|2.549680|3.182268|3.456229|0.097043|4.297626|6.090053|3.487821|3.213482|3.218836|2.770904|2.606723|2.257799|2.081490|2.158952|2.467044|3.372266|0.062556|2.752066|4.623412|1.817533|5.790357|36.180664|9.883571|8.959812|17.724279|8.912694|5.637682|4.984230|5.637327|4.090517|4.088179|0.055638|0.061123|0.057239|0.067600|0.077367|0.065436|0.060023|0.065107|0.068140|0.088802|0.094181|0.105939|0.146462|0.094931|0.083871|0.097011|0.076317|0.059199|0.055354|0.047437|0.048023|0.050674|0.166429|0.500000| 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