Version2.0 2019-11-15T21:32:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)c1ccc(cc1)N2C(=O)[C@@]3([C@@H]4C(=c5ccccc5=[NH+]4)[C@H](CN3C2=O)c6ccccc6OC)C C63373788 RHF 6-31G(d) (6D,7F) CC(C)c1ccc(cc1)N2C(=O)[C@@]3([C@@H]4C(=c5ccccc5=[NH+]4)[C@H](CN3C2=O)c6ccccc6OC)C C01[X(C30H30N3O3)] 192 C1 600 COc1ccccc1[C@H]1CN2C(=O)N(C(=O)[C@@]2([C@@H]2C1=c1ccccc1=[NH+]2)C)c1ccc(cc1)C(C)C COc1ccccc1[C@H]1CN2C(=O)N(C(=O)[C@@]2([C@@H]2C1=C1C=CC=C[C@@H]1N2)C)c1ccc(cc1)C(C)C COc1ccccc1[C@H]2CN3C(=O)N(C(=O)[C@]3(C)[C@H]4N[C@H]5C=CC=CC5=C24)c6ccc(cc6)C(C)C InChIKey=GCTDHYIXWGJXGA-QGVXFSDMSA-N InChI=1S/C30H31N3O3/c1-18(2)19-13-15-20(16-14-19)33-28(34)30(3)27-26(22-10-5-7-11-24(22)31-27)23(17-32(30)29(33)35)21-9-6-8-12-25(21)36-4/h5-16,18,23-24,27,31H,17H2,1-4H3/t23-,24+,27+,30+/m1/s1 InChI=1/C30H31N3O3/c1-18(2)19-13-15-20(16-14-19)33-28(34)30(3)27-26(22-10-5-7-11-24(22)31-27)23(17-32(30)29(33)35)21-9-6-8-12-25(21)36-4/h5-16,18,23-24,27,31H,17H2,1-4H3/t23-,24+,27+,30+/m1/s1 CC(C)c1ccc(cc1)N2C(=O)[C@@]3([C@@H]4C(=c5ccccc5=[NH+]4)[C@H](CN3C2=O)c6ccccc6OC)C C01[X(C30H30N3O3)] 192 C01 600 COc1ccccc1[C@H]1CN2C(=O)N(C(=O)[C@@]2([C@@H]2C1=c1ccccc1=[NH+]2)C)c1ccc(cc1)C(C)C COc1ccccc1[C@H]1CN2C(=O)N(C(=O)[C@@]2([C@@H]2C1=C1C=CC=C[C@@H]1N2)C)c1ccc(cc1)C(C)C COc1ccccc1[C@H]2CN3C(=O)N(C(=O)[C@]3(C)[C@H]4N[C@H]5C=CC=CC5=C24)c6ccc(cc6)C(C)C InChIKey=GCTDHYIXWGJXGA-QGVXFSDMSA-N InChI=1S/C30H31N3O3/c1-18(2)19-13-15-20(16-14-19)33-28(34)30(3)27-26(22-10-5-7-11-24(22)31-27)23(17-32(30)29(33)35)21-9-6-8-12-25(21)36-4/h5-16,18,23-24,27,31H,17H2,1-4H3/t23-,24+,27+,30+/m1/s1 InChI=1/C30H31N3O3/c1-18(2)19-13-15-20(16-14-19)33-28(34)30(3)27-26(22-10-5-7-11-24(22)31-27)23(17-32(30)29(33)35)21-9-6-8-12-25(21)36-4/h5-16,18,23-24,27,31H,17H2,1-4H3/t23-,24+,27+,30+/m1/s1 3795.3086007572 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480.22872 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 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 13.8438 17.2025 18.0594 26.1094 42.9572 48.2459 59.2879 67.9768 73.7988 89.4929 97.4085 114.9189 142.9978 148.5338 153.1371 164.4900 187.4542 215.6383 225.5094 234.8344 238.5892 249.2266 254.3035 267.6544 277.7478 282.3067 284.3589 299.8010 308.6155 324.9497 342.4121 358.3424 363.5203 403.0251 435.6417 451.7377 459.5538 472.9284 484.1228 491.6358 505.9479 524.7832 545.8027 547.8669 550.0609 581.0199 602.3137 613.8158 617.0450 622.6632 634.7864 646.4773 655.1849 680.9978 699.4049 702.6884 737.2477 757.0520 799.1644 806.9894 825.7432 829.1548 834.0449 843.5992 851.5571 858.1283 862.5091 865.1227 880.9245 901.6660 932.3127 939.9655 947.3567 952.7365 964.4166 977.7138 981.9301 1013.3070 1015.4356 1034.9703 1044.1324 1059.2103 1066.9888 1081.3914 1084.3160 1097.3318 1098.4539 1117.1313 1126.9864 1127.0696 1144.6862 1151.6022 1157.8409 1158.8139 1162.3242 1167.1364 1179.8554 1203.5637 1213.1230 1223.3589 1224.3607 1236.2359 1246.8183 1254.0429 1263.3351 1281.3021 1291.2405 1292.2478 1296.8752 1299.6949 1307.4697 1317.6401 1320.1506 1325.3155 1331.4785 1342.0599 1345.2225 1360.1315 1398.9407 1401.0637 1427.4577 1433.5010 1445.6447 1451.0702 1470.4074 1478.5980 1484.4510 1504.5988 1507.4891 1521.9193 1526.5821 1548.5585 1555.7957 1564.6652 1566.5630 1572.6697 1588.3454 1590.2597 1594.8588 1613.3841 1618.0222 1631.2425 1634.9529 1637.6188 1638.3679 1641.3622 1647.9874 1649.8435 1651.4747 1652.2257 1657.5691 1677.6934 1695.6716 1727.8369 1759.9414 1778.9886 1783.2835 1807.7945 1817.6025 1838.3980 1988.7942 2050.6539 3204.0100 3208.5740 3211.4542 3221.5611 3227.1686 3230.7458 3250.9263 3266.2038 3273.9873 3274.1105 3275.0742 3277.4896 3300.7136 3300.7516 3326.7178 3346.3562 3351.3957 3365.8653 3371.1564 3375.7251 3381.8259 3389.3820 3393.1852 3395.3257 3399.9222 3406.6141 3412.2637 3418.5204 3453.7579 3847.6521 3.9038 5.1516 3.5594 4.7910 4.6460 3.4937 5.0196 5.4921 5.3347 3.4851 5.0527 4.2267 6.0505 4.9337 5.2069 4.9470 3.6732 3.8632 2.6650 2.9246 1.6064 1.0909 2.1972 1.6968 1.6891 2.3432 1.8279 3.1453 3.3607 3.5697 3.8176 3.8975 4.4835 4.9728 4.8883 3.9738 2.9517 4.9112 4.0378 4.0979 4.4521 3.4675 4.0321 3.6569 3.2080 5.1133 4.0252 3.3585 2.9555 1.3533 4.2662 3.9421 4.4853 5.1319 5.8347 7.0045 4.2110 5.0546 3.6453 4.6201 4.2686 4.0371 4.6747 4.2383 3.1918 2.3976 1.4089 2.2456 6.1563 4.5609 3.6866 1.2706 1.8987 1.5246 2.5657 4.3727 1.4387 3.0086 1.1987 2.8350 1.5699 2.3751 2.2903 1.4152 1.4686 1.7491 1.9555 2.8803 1.3230 1.3252 3.6702 3.4575 1.3999 3.6303 2.1311 2.2157 2.2548 1.7937 2.9934 2.1886 2.1289 2.5969 2.7932 2.5583 1.5087 2.6915 1.2752 1.3985 2.0537 2.0968 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1.7149 1.6353 1.9159 1.7771 1.3637 1.0402 0.6175 0.9902 2.8148 2.1847 1.8880 0.6614 1.0040 0.8153 1.4060 2.4627 0.8173 1.8201 0.7282 1.7892 1.0084 1.5700 1.5363 0.9751 1.0173 1.2409 1.3902 2.1179 0.9900 0.9918 2.8334 2.7016 1.1057 2.8722 1.6963 1.7783 1.8493 1.5309 2.5955 1.9299 1.8803 2.3384 2.5583 2.3704 1.4187 2.6035 1.2527 1.3759 2.0351 2.0869 1.2501 1.9876 1.7792 1.9028 1.7271 1.5880 2.1607 2.8474 1.9638 2.3100 2.5501 2.9944 2.1391 1.7706 2.4333 1.7264 2.4502 2.3220 2.0316 2.7013 2.5927 4.2028 1.7911 4.0685 1.9983 1.9180 5.4067 3.5208 2.6951 3.5445 2.9242 1.6398 1.7453 1.6568 2.2411 1.7553 1.6829 1.6875 1.7475 1.7130 1.7450 3.7106 4.2838 11.1044 8.0323 11.5702 10.9634 10.4940 10.7581 11.7712 29.3220 31.1683 6.2633 6.3237 6.5591 6.6291 6.3376 6.3840 6.7421 6.9362 6.7399 6.9707 6.9650 6.9860 7.1080 7.0869 7.1966 7.2865 7.2884 7.2775 7.2996 7.3150 7.3524 7.3831 7.4356 7.4450 7.4712 7.4827 7.5249 7.5336 7.7037 9.4395 0.0945 0.3034 0.0875 0.6585 0.7832 0.0377 0.5304 0.6511 1.3651 4.2017 0.1937 2.3263 5.7308 0.9057 2.3794 1.0429 6.1770 1.8988 1.7629 2.6240 0.7778 0.1327 0.7431 3.1850 0.4125 2.0493 0.6059 3.3290 1.9787 1.9034 1.2010 10.6060 6.8775 1.1234 0.3182 11.7111 0.1508 3.1421 15.0021 26.3261 7.4460 2.8525 10.7839 5.7606 5.9087 19.1232 3.1859 7.9268 10.0972 78.2554 18.9737 6.8359 18.0571 6.2012 5.2845 2.2954 0.7379 18.6516 4.3569 15.3764 7.9899 7.4317 3.1602 0.5862 38.0865 69.3461 38.5792 57.9508 19.7940 10.5944 24.3438 0.0125 14.5913 10.1017 0.2656 3.0656 3.5803 12.5143 0.7098 11.6649 0.1473 8.1254 8.9246 0.2364 8.3514 3.0023 2.0113 5.6807 0.7489 0.1143 27.8042 1.0535 2.3871 26.5796 11.0745 22.5092 27.4545 2.7583 26.2552 17.1284 0.4078 30.1384 12.4305 12.3044 63.0717 13.1528 6.2003 42.5939 47.4933 34.2301 19.7631 20.8551 7.2508 63.0886 16.7511 10.4702 2.4713 33.2045 35.1901 71.9402 118.2369 44.4608 52.4679 3.1726 107.4293 1.1673 72.6852 16.8581 21.0756 257.5424 46.7727 122.6934 2.3760 28.9050 58.8624 0.9990 713.0234 210.1648 39.6421 133.3229 82.2799 0.0174 20.9151 2.3864 6.0794 7.2828 7.3917 10.1473 8.2620 4.7107 39.6836 83.1315 167.4556 7.3263 163.7108 0.5411 18.9333 47.8927 0.5192 539.2129 787.4824 176.1051 31.4112 29.6160 11.2193 4.2422 43.5189 9.4296 9.3666 1.3165 24.6618 33.1306 90.0851 52.8847 18.7715 35.3654 5.3136 22.3823 1.3732 11.1798 15.9748 10.4111 6.7445 2.9682 16.7308 3.4059 12.5962 0.6461 0.9519 5.3681 3.7023 213.3201 0.8923 0.1431 3.5700 5.1216 1.7114 4.1193 5.6604 0.6714 1.5360 1.5555 2.2810 2.1712 1.1059 2.6099 1.9967 2.4326 1.7544 1.3332 1.2653 1.0873 0.3912 0.0386 1.5376 0.6419 0.8118 0.4015 0.6006 0.6838 0.4511 0.6873 2.7632 2.0810 2.8652 4.9421 1.7848 2.9282 0.1846 2.3180 1.5734 0.3669 2.1561 1.9688 1.6851 4.5252 0.9762 8.1764 3.4710 2.1013 1.4593 0.5563 6.4060 4.1734 1.6563 9.3104 5.3981 6.7471 2.0812 3.6887 1.3326 6.8779 3.4912 4.3806 1.7487 2.0033 17.4301 6.6855 2.0866 4.6212 2.2574 10.2365 8.1127 3.2512 1.7068 1.2576 8.4306 1.9218 2.1786 15.8491 0.9499 3.0895 8.2899 11.0969 11.3300 2.1095 2.7597 4.8290 6.3036 0.1935 2.4782 0.4596 8.2307 7.1053 3.1696 7.8229 4.1937 16.6880 8.6182 0.3539 16.1242 4.4816 6.1681 7.8791 0.6842 1.1063 5.6357 60.8705 3.7811 21.3827 56.1186 15.9397 6.9208 2.0640 16.1985 5.0590 15.8721 3.9696 11.3974 47.8273 25.7599 45.4951 43.3903 16.4409 3.6698 2.2363 11.0503 12.0047 3.9687 60.2262 3.3340 7.8813 93.9003 10.5086 1.2747 58.7757 12.6859 2.6000 25.0380 8.1033 19.4618 134.7745 49.1288 24.2549 12.5080 7.1236 5.7626 16.5218 34.7010 17.1351 7.0453 3.7684 11.2553 6.5233 5.1019 87.6481 8.4545 2.9461 9.4421 39.7700 133.4992 51.6404 2.3387 21.5170 1.7516 168.0799 121.1654 63.3492 94.9209 79.8128 93.8289 7.9999 35.6128 36.0401 160.6211 142.2607 58.8467 38.8691 39.8876 78.5014 57.8816 37.4270 53.6949 52.6919 73.5035 80.6324 25.8124 163.5802 165.4239 105.1191 245.0892 147.2907 72.4832 64.1759 0.7299 0.7322 0.7392 0.7386 0.7411 0.7500 0.7260 0.7144 0.7275 0.7421 0.7462 0.6383 0.7173 0.6331 0.7196 0.3352 0.5120 0.6201 0.6905 0.2368 0.5950 0.5591 0.7464 0.5982 0.7087 0.6345 0.7399 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12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 8443.3441 33061.0767 37551.7206 1.00000 -0.00106 0.00134 0.00103 0.99983 0.01862 -0.00135 -0.01862 0.99983 1 0.01026 0.00262 0.00231 0.21375 0.05459 0.04806 19.92 24.75 25.98 37.57 61.81 69.42 85.30 97.80 106.18 128.76 140.15 165.34 205.74 213.71 220.33 236.66 269.70 310.26 324.46 337.87 343.28 358.58 365.89 385.10 399.62 406.18 409.13 431.35 444.03 467.53 492.65 515.57 523.02 579.86 626.79 649.95 661.20 680.44 696.54 707.35 727.95 755.05 785.29 788.26 791.42 835.96 866.60 883.14 887.79 895.87 913.32 930.14 942.66 979.80 1006.29 1011.01 1060.73 1089.23 1149.82 1161.08 1188.06 1192.97 1200.00 1213.75 1225.20 1234.66 1240.96 1244.72 1267.45 1297.30 1341.39 1352.40 1363.03 1370.78 1387.58 1406.71 1412.78 1457.92 1460.99 1489.09 1502.27 1523.97 1535.16 1555.88 1560.09 1578.82 1580.43 1607.30 1621.48 1621.60 1646.95 1656.90 1665.87 1667.27 1672.33 1679.25 1697.55 1731.66 1745.41 1760.14 1761.58 1778.67 1793.89 1804.29 1817.66 1843.51 1857.81 1859.26 1865.91 1869.97 1881.16 1895.79 1899.40 1906.83 1915.70 1930.92 1935.48 1956.93 2012.76 2015.82 2053.79 2062.49 2079.96 2087.77 2115.59 2127.37 2135.79 2164.78 2168.94 2189.70 2196.41 2228.03 2238.44 2251.20 2253.93 2262.72 2285.27 2288.03 2294.65 2321.30 2327.97 2346.99 2352.33 2356.17 2357.25 2361.55 2371.09 2373.76 2376.10 2377.18 2384.87 2413.83 2439.69 2485.97 2532.16 2559.57 2565.75 2601.01 2615.12 2645.04 2861.43 2950.43 4609.86 4616.42 4620.57 4635.11 4643.18 4648.32 4677.36 4699.34 4710.54 4710.71 4712.10 4715.58 4748.99 4749.05 4786.40 4814.66 4821.91 4842.73 4850.34 4856.92 4865.69 4876.56 4882.04 4885.12 4891.73 4901.36 4909.49 4918.49 4969.19 5535.91 0.587152 0.616684 0.617629 0.523509 -1540.720529 -1540.690996 -1540.690052 -1540.784171 3.156767D-04 MUNgauss RevisionA1.9 retrievium 15-Nov-2019 DUDE CC(C)c1ccc(cc1)N2C(=O)[C@@]3([C@@H]4C(=c5ccccc5=[NH+]4)[C@H](CN3C2=O)c6ccccc6OC)C C63373788 RHF 6-31G(d) (6D,10F) C1 480.228691 |X|Y|Z| 131.219111 60.544175 36.037243 65.908335 28 6 7 25 3 |36.858105| |12.410883|36.858105| |7.517368|12.411348|36.858105| |7.527470|12.517025|7.525651|36.858105| |5.317052|7.531545|5.309775|13.711539|36.858105| |4.008098|4.996325|4.006547|7.872839|13.755152|36.858105| |3.746584|4.420385|3.744068|6.833607|7.978054|13.802172|36.858105| |4.312839|4.988731|4.307958|7.879486|6.900846|7.942741|13.763353|36.858105| |6.070479|7.486419|6.073247|13.669264|7.989036|6.890705|7.970043|13.792977|36.858105| |2.941927|3.315975|2.941085|4.510996|5.141634|7.806213|13.272039|7.822023|5.148033|53.358707| |2.559563|2.880610|2.684014|3.721436|4.039084|5.423306|7.685556|6.076150|4.291331|19.032568|36.858105| |2.531959|2.893542|2.798115|3.678076|3.847451|4.832211|6.476117|5.819767|4.297861|11.245200|16.004261|73.516695| |2.178226|2.381884|2.220881|2.938884|3.196317|4.099876|5.119023|4.261254|3.272676|11.163765|12.506656|14.116308|36.858105| |1.960608|2.166006|2.047535|2.606649|2.885708|3.613990|4.103488|3.420212|2.786947|7.745730|7.638898|11.249010|12.291464|36.858105| |2.056327|2.309276|2.170566|2.800634|3.196351|4.093732|4.450405|3.551580|2.921456|8.197325|7.431509|11.080693|8.838072|17.521901|0.500000| |1.755180|1.904435|1.792185|2.239815|2.473732|3.010176|3.290361|2.804915|2.357847|5.855539|5.001908|7.573133|7.562876|12.666298|0.250535|36.858105| |1.586130|1.715620|1.639994|1.980995|2.151740|2.538733|2.749731|2.426867|2.083994|4.645182|4.011877|6.550644|5.447088|8.202359|0.176870|14.000073|36.858105| 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|1.969800|2.089570|1.901139|2.498094|2.773114|3.450480|3.857800|3.223432|2.651646|7.166447|5.159195|7.067714|7.573444|6.488901|0.159951|7.612172|5.098629|4.094848|3.224220|2.954487|3.205156|4.149822|6.122196|0.106072|12.224703|0.248769|36.858105| |2.244732|2.420061|2.192566|2.995660|3.341450|4.377316|5.283011|4.199097|3.260919|11.653212|8.278360|9.816693|13.261848|7.960620|0.197836|6.867594|4.716705|3.626598|2.984251|2.878885|3.264046|4.276701|6.991394|0.125001|7.690145|0.192737|13.208101|53.358707| |2.642658|2.873524|2.520774|3.706780|4.281886|6.069650|7.613374|5.367759|4.013052|18.479871|8.328924|9.830311|8.169712|5.740109|0.164443|4.827563|3.631748|2.930165|2.496240|2.441745|2.750376|3.436082|5.616891|0.106840|5.392787|0.153500|7.649223|18.943015|36.858105| 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|1.362390|1.415755|1.325101|1.590384|1.711012|1.947004|2.047847|1.855501|1.648290|3.257987|2.453446|3.905156|3.019743|3.173629|0.080936|4.155034|4.050337|4.566546|3.670256|2.947824|2.771868|3.125358|3.870619|0.068914|4.987003|0.116820|4.352923|4.509475|2.779200|4.803084|7.868340|13.756600|36.858105| |1.311317|1.365573|1.277638|1.523474|1.650209|1.864713|1.923195|1.734834|1.558673|3.008542|2.239868|3.594318|2.677086|2.876357|0.075821|3.691256|3.616537|4.125585|3.397911|2.734605|2.553164|2.839093|3.527418|0.063387|4.430428|0.111796|3.736364|3.998357|2.547099|4.477916|6.845773|7.990844|13.779789|36.858105| |1.368968|1.437240|1.340133|1.608736|1.766167|2.008709|2.041745|1.813169|1.629628|3.195597|2.361130|3.771752|2.803441|3.101090|0.084018|4.024903|3.836986|4.253658|3.427324|2.779414|2.631920|2.977697|3.731691|0.066706|5.012763|0.134439|3.947261|4.230542|2.720488|4.809365|7.885051|6.899586|7.917855|13.746334|36.858105| |1.505157|1.594804|1.480312|1.810244|2.011687|2.336179|2.380336|2.070765|1.835772|3.816747|2.823540|4.424953|3.441273|3.924639|0.107083|5.410745|4.793340|4.952831|3.750519|3.068054|2.992917|3.550095|4.503346|0.078721|7.556366|0.207135|5.168795|5.307482|3.320332|5.788488|13.597479|7.941448|6.836433|7.928246|13.720798|36.858105| |1.569615|1.681430|1.556615|1.912192|2.162081|2.523475|2.507775|2.144473|1.910761|3.978860|2.907708|4.569840|3.426085|4.030908|0.117148|5.236762|4.524090|4.408506|3.459396|2.944069|2.939896|3.505019|4.572191|0.080644|6.934045|0.236945|4.769314|5.261657|3.424711|6.016801|8.160150|5.288260|4.611003|5.207622|7.902192|14.147733|73.516695| |1.479386|1.580880|1.466228|1.769973|1.999773|2.279990|2.218228|1.919836|1.744847|3.396949|2.454541|3.940360|2.768836|3.174852|0.093576|3.819230|3.488580|3.513083|2.938515|2.547293|2.514259|2.872973|3.761407|0.068336|4.596856|0.150374|3.584773|4.175253|2.847500|5.121834|5.229559|3.980055|3.785075|4.518755|6.727279|7.968960|24.032256|36.858105| |2.007139|2.147357|2.034939|2.580183|2.689386|3.254615|4.033571|3.720847|2.935039|7.565143|7.567359|11.198567|12.454298|7.379451|0.151913|5.941385|5.016933|3.821659|3.319548|3.398076|4.042126|5.222334|8.743057|0.162330|4.972871|0.117520|5.946909|10.419073|5.493484|7.451012|3.852161|3.775625|2.994215|2.577151|2.593097|3.052938|5.178265|2.403826|36.858105| |17.554139|8.796650|6.883991|5.491912|4.281252|3.339217|3.110448|3.484175|4.587444|3.443709|2.245986|3.976339|1.942935|1.773874|0.051620|1.602604|1.461081|1.319504|1.238684|1.259254|1.368055|1.489848|2.252577|0.047312|1.628936|0.046867|1.775923|2.714747|2.305217|4.234309|1.462134|1.382270|1.267686|1.225583|1.278290|1.395966|2.588223|1.383185|1.803793|0.500000| |17.562153|8.751679|5.469089|6.901480|5.420255|4.154001|3.817910|4.235899|5.582025|4.106250|2.568346|4.416517|2.213625|1.983382|0.057813|1.791707|1.607426|1.442028|1.338583|1.350215|1.468354|1.621124|2.464201|0.051254|1.850274|0.053384|2.058170|3.172479|2.780408|5.246190|1.647420|1.551181|1.412484|1.361042|1.422373|1.564136|2.899212|1.538204|2.028346|0.301263|0.500000| |17.548829|8.734045|6.792951|6.717976|4.669930|3.754682|3.725897|4.541696|6.491458|4.024784|2.602125|4.606296|2.209464|1.963104|0.056521|1.752619|1.588331|1.421918|1.330688|1.356498|1.483924|1.626272|2.483634|0.052348|1.774175|0.050523|1.971496|3.071948|2.634750|4.775333|1.576606|1.498087|1.362260|1.302696|1.351063|1.483221|2.726848|1.437290|2.069522|0.302018|0.301545|0.500000| |8.949158|17.540981|8.948748|9.022460|7.471654|4.842918|4.022822|4.206176|5.606247|4.219787|2.692817|4.767533|2.264329|2.097627|0.062774|1.861592|1.677789|1.495242|1.394270|1.419931|1.557288|1.716185|2.633301|0.055464|1.886141|0.055363|2.031795|3.161174|2.750250|5.034139|1.661215|1.538160|1.396297|1.357281|1.437286|1.593251|3.011967|1.607643|2.022020|0.215812|0.213203|0.173677|0.500000| |6.792027|8.733468|17.549085|6.716458|4.664785|3.753375|3.723343|4.535759|6.494838|4.023606|2.739090|5.142290|2.255938|2.054258|0.059728|1.791048|1.644797|1.462299|1.383708|1.436244|1.591897|1.728458|2.671361|0.057734|1.757632|0.050215|1.899987|2.996959|2.509286|4.349100|1.547762|1.460174|1.323516|1.268357|1.322221|1.458482|2.704410|1.424732|2.101341|0.168871|0.139017|0.200529|0.173666|0.500000| |5.468664|8.750638|17.559560|6.897780|5.406439|4.150615|3.812946|4.227460|5.584732|4.103784|2.794777|5.269298|2.291622|2.144989|0.063807|1.860489|1.706876|1.513059|1.430626|1.486698|1.652186|1.797606|2.787686|0.060375|1.819748|0.052790|1.930117|3.040487|2.551778|4.423090|1.594549|1.484050|1.343857|1.298736|1.368563|1.517477|2.855344|1.513203|2.077941|0.140715|0.122386|0.139018|0.213177|0.301547|0.500000| |6.884373|8.796863|17.554272|5.491201|4.277342|3.338274|3.108991|3.481612|4.588736|3.442969|2.329455|4.294488|1.973302|1.838077|0.053948|1.630879|1.503247|1.350539|1.279714|1.320159|1.448442|1.564624|2.385152|0.051041|1.616478|0.046628|1.724669|2.664128|2.222263|3.937102|1.439723|1.353208|1.237213|1.197707|1.254504|1.375893|2.569563|1.372303|1.824080|0.206948|0.140723|0.168904|0.215795|0.302036|0.301272|0.500000| |5.013314|7.000052|5.001812|8.917296|17.719786|8.966369|5.675846|4.966736|5.663386|5.683012|3.414055|5.810205|2.821591|2.630055|0.081505|2.303681|2.021051|1.770421|1.622651|1.639531|1.810325|2.044031|3.184251|0.066229|2.366287|0.071371|2.547739|4.042904|3.693022|6.883069|2.030643|1.833375|1.639571|1.598694|1.721445|1.949495|3.762902|1.990576|2.390281|0.118046|0.144239|0.116933|0.231334|0.116735|0.143622|0.117846|0.500000| |3.387601|4.082362|3.383839|5.620110|8.912155|17.738175|8.925297|5.648133|4.962848|9.739686|5.158667|7.954949|4.159497|3.840331|0.125693|3.246875|2.696418|2.276413|2.025956|2.026492|2.269805|2.679591|4.307433|0.087305|3.395132|0.106200|3.707434|6.256311|6.333482|11.548987|2.738355|2.384731|2.064235|1.996806|2.186202|2.577359|5.067946|2.574300|3.203062|0.081106|0.098698|0.087608|0.115201|0.087521|0.098485|0.081037|0.216376|0.500000| |3.720624|4.072226|3.716095|5.620601|4.967505|5.650427|8.916971|17.730894|8.925147|9.785975|6.305351|10.999646|4.481628|3.462324|0.096163|2.835626|2.475202|2.095263|1.921224|1.984618|2.262891|2.597714|4.246927|0.090981|2.762313|0.076251|3.254052|5.788759|5.107435|7.871705|2.296346|2.172085|1.883424|1.740739|1.798516|2.044808|3.705321|1.853875|4.155559|0.085921|0.101106|0.112636|0.096479|0.112466|0.100894|0.085850|0.107775|0.124217|0.500000| |6.300784|6.921370|6.309991|8.883764|5.660689|4.962396|5.675627|8.993802|17.730297|5.696368|3.697378|6.744061|2.919108|2.501298|0.071619|2.143707|1.924377|1.682330|1.568601|1.618713|1.808904|2.009263|3.163782|0.067900|2.119031|0.059822|2.385952|3.909812|3.395920|5.794739|1.829988|1.731773|1.544782|1.458153|1.512341|1.686515|3.093858|1.596591|2.719851|0.134041|0.151232|0.213057|0.139996|0.213526|0.151490|0.134162|0.124134|0.107712|0.217077|0.500000| |1.387099|1.476561|1.406572|1.669800|1.806043|2.076428|2.191062|1.965701|1.732822|3.542025|2.846832|4.662628|3.588244|4.407994|0.108976|6.511123|8.709323|17.804537|9.042377|5.592773|4.820346|5.498814|5.821840|0.097813|5.795260|0.135943|4.175642|4.778679|2.858981|4.657437|7.103540|6.853451|5.857652|5.323756|5.437219|6.191201|8.978849|3.954641|3.472732|0.035833|0.039324|0.038470|0.040436|0.039031|0.040320|0.036271|0.047932|0.061471|0.055378|0.044897|0.500000| |1.237825|1.317893|1.279037|1.467742|1.560635|1.752902|1.847957|1.703216|1.526224|2.893433|2.364424|4.069937|2.803768|3.355825|0.084447|4.090060|5.620516|9.056944|17.755779|8.781535|5.593022|4.934682|5.022689|0.089817|3.459848|0.087196|2.839537|3.546287|2.221115|3.620784|3.721329|3.779340|3.606002|3.412171|3.368760|3.507476|5.688251|2.803084|2.843711|0.032238|0.034721|0.034464|0.036022|0.035667|0.036809|0.033184|0.041553|0.050991|0.048317|0.040096|0.216327|0.500000| |1.267658|1.361387|1.343028|1.514580|1.592723|1.777821|1.892118|1.769204|1.587667|2.933691|2.477056|4.457821|2.833122|3.404239|0.085520|3.673765|4.942815|5.652432|8.801760|17.721602|9.089657|5.703671|5.723589|0.108371|2.940056|0.075796|2.536619|3.384425|2.155275|3.450733|2.873189|2.839886|2.613888|2.454256|2.472759|2.661637|4.560878|2.278694|2.926930|0.033033|0.035156|0.035451|0.036992|0.037687|0.038954|0.034759|0.042158|0.050977|0.050558|0.041961|0.124146|0.215662|0.500000| |1.472582|1.605838|1.596715|1.814385|1.904054|2.151976|2.336548|2.182867|1.927061|3.669216|3.280860|6.194676|3.672067|4.570521|0.112451|4.292685|5.482962|4.816682|5.526617|8.941490|17.753261|8.770429|9.300241|0.193028|3.208571|0.083558|2.845626|4.054839|2.579042|3.995693|2.870552|2.740213|2.407229|2.233714|2.298155|2.582852|4.566992|2.242786|3.763923|0.038071|0.040504|0.041320|0.043270|0.045052|0.046768|0.040831|0.049686|0.061065|0.062798|0.050672|0.105308|0.123206|0.216511|0.500000| |2.011697|2.115256|1.896873|2.517474|2.824715|3.491403|3.772668|3.137144|2.627304|6.638548|4.413846|6.182353|5.628354|4.958014|0.132292|5.585119|4.083915|3.475752|2.808248|2.569416|2.740591|3.409136|4.976987|0.089111|8.799027|0.222968|17.667080|12.627025|7.431250|13.480942|6.698613|5.589367|4.189612|3.726669|3.994520|5.139623|8.587435|3.723550|4.586184|0.050384|0.059146|0.055540|0.057559|0.052287|0.053146|0.047988|0.072848|0.105781|0.086255|0.065441|0.100902|0.070315|0.062395|0.068578|0.500000| |1.861912|1.949689|1.788758|2.301454|2.490976|3.012101|3.414176|2.986715|2.476468|6.117015|4.563648|6.495523|6.642447|5.510642|0.129910|6.546060|4.878936|4.085438|3.251844|2.960428|3.163330|3.992229|5.692286|0.099593|8.704354|0.174629|17.618628|12.511922|5.955591|9.294144|6.922911|6.968500|4.758494|3.833896|3.813102|4.699247|7.276085|3.177225|6.334056|0.046818|0.053893|0.052264|0.052320|0.050089|0.050152|0.045281|0.063543|0.087372|0.085990|0.063019|0.116556|0.080194|0.070942|0.077969|0.303028|0.500000| |1.533922|1.600028|1.495274|1.831435|1.962264|2.281219|2.486481|2.244283|1.938860|4.136124|3.197448|4.951885|4.263739|4.273621|0.101900|5.816435|5.291693|5.256377|4.025865|3.360407|3.322298|3.973359|5.014597|0.086995|6.936238|0.140659|6.647556|6.386193|3.597838|5.925411|8.916274|17.712067|8.978436|5.681828|4.965476|5.640915|7.580134|3.320828|4.421406|0.039230|0.044068|0.042958|0.043320|0.041815|0.042100|0.038380|0.051212|0.066423|0.064393|0.050280|0.166808|0.102001|0.080234|0.079279|0.155967|0.240198|0.500000| |1.304894|1.347534|1.265771|1.505483|1.603086|1.807713|1.912161|1.757812|1.568164|3.013612|2.276053|3.658594|2.766663|2.841654|0.072068|3.570685|3.556521|4.011091|3.392245|2.774327|2.593414|2.855762|3.544827|0.063995|4.072246|0.096564|3.780029|4.064801|2.534856|4.381092|5.618409|8.909588|17.740009|8.900437|5.633530|4.934760|6.506539|3.129869|2.834901|0.033803|0.037528|0.036401|0.036798|0.035257|0.035542|0.032908|0.042605|0.052654|0.049931|0.041131|0.135920|0.094336|0.069483|0.063281|0.101009|0.118419|0.216678|0.500000| |1.227044|1.272201|1.193847|1.407186|1.515701|1.693107|1.738664|1.583819|1.436214|2.679235|1.989837|3.228753|2.330125|2.480267|0.065821|3.068863|3.059466|3.503203|3.028471|2.474762|2.292258|2.488579|3.100915|0.056535|3.544655|0.091502|3.103934|3.439893|2.236549|3.958317|4.938672|5.665417|8.922239|17.727157|8.955175|5.651591|7.473448|3.923701|2.268668|0.032001|0.035355|0.033864|0.035173|0.032924|0.033655|0.031227|0.040961|0.050100|0.044156|0.037521|0.120946|0.086661|0.062908|0.056402|0.086715|0.088838|0.124678|0.214159|0.500000| |1.313380|1.378763|1.287405|1.530860|1.682657|1.893714|1.899777|1.692494|1.537576|2.921482|2.145012|3.463363|2.481278|2.744569|0.075826|3.418375|3.301803|3.645067|3.066797|2.534861|2.395444|2.658324|3.354330|0.060835|4.085425|0.114725|3.322266|3.708605|2.451734|4.379983|5.615956|4.970356|5.653433|8.956645|17.773787|8.887635|12.598091|7.507752|2.288917|0.034223|0.037904|0.035867|0.038509|0.035153|0.036556|0.033620|0.045965|0.057394|0.046369|0.039695|0.124085|0.085094|0.063646|0.058835|0.094651|0.088302|0.107815|0.124285|0.217431|0.500000| |1.460335|1.546382|1.426207|1.722336|1.939699|2.192919|2.128221|1.853733|1.694278|3.226406|2.294769|3.673124|2.569225|2.839653|0.082754|3.356090|3.047992|3.075178|2.607412|2.275832|2.245634|2.544506|3.363208|0.061710|4.127781|0.130958|3.418965|3.945957|2.732879|5.034999|4.804376|3.834641|3.769833|4.611230|6.751213|7.083052|16.419977|17.592455|2.259737|0.037992|0.042427|0.039379|0.043746|0.038476|0.040629|0.037202|0.053808|0.068436|0.049715|0.043177|0.096444|0.069835|0.057108|0.056156|0.102057|0.085327|0.088952|0.087298|0.113755|0.222598|0.500000| |1.538433|1.657962|1.535580|1.855993|2.122017|2.417538|2.306875|1.979307|1.808813|3.488527|2.500533|4.034110|2.750858|3.171758|0.096625|3.648874|3.302549|3.219970|2.744413|2.447453|2.458784|2.810339|3.757304|0.069040|4.246214|0.144755|3.395609|4.119584|2.884053|5.205794|4.406657|3.410975|3.181535|3.622644|4.908623|5.872803|16.963607|17.663109|2.347545|0.039975|0.044398|0.041258|0.047168|0.041184|0.044245|0.039909|0.059248|0.076971|0.052537|0.045729|0.096775|0.072069|0.061069|0.061651|0.098024|0.082345|0.081943|0.075011|0.089244|0.146547|0.299890|0.500000| |1.374937|1.467264|1.373554|1.630340|1.822104|2.055113|2.013117|1.766055|1.612856|3.065628|2.252655|3.672520|2.537757|2.935774|0.085254|3.539508|3.403715|3.589956|3.066034|2.619516|2.525990|2.816042|3.597837|0.065569|4.022735|0.124756|3.151217|3.719121|2.517360|4.467486|4.685292|3.753551|3.708010|4.560890|6.709409|6.935478|16.411685|17.587195|2.250887|0.035866|0.039506|0.037211|0.041378|0.037174|0.039433|0.035834|0.050366|0.063586|0.047669|0.041286|0.113628|0.082954|0.065618|0.062430|0.088716|0.079710|0.087202|0.086037|0.113179|0.228154|0.298472|0.300108|0.500000| |2.111693|2.225385|2.092136|2.682073|2.744904|3.290408|4.181634|4.006579|3.119354|7.650757|6.859496|10.092196|8.882013|5.443119|0.123563|4.653508|3.970851|3.211444|2.832215|2.868055|3.298558|4.028118|6.460579|0.125253|4.297830|0.103942|5.521879|9.684739|5.599349|7.755021|3.465878|3.470246|2.813564|2.423256|2.414674|2.793205|4.725203|2.229725|17.592070|0.052408|0.059528|0.061138|0.057634|0.060499|0.058565|0.052017|0.067129|0.087944|0.129171|0.081035|0.083518|0.069174|0.070302|0.086893|0.125084|0.169356|0.113201|0.075094|0.059832|0.059564|0.059153|0.060517|0.057786|0.500000| |1.819455|1.929568|1.829870|2.275497|2.382454|2.836281|3.366378|3.103242|2.534306|6.035897|5.492570|8.425227|8.755060|6.791688|0.138056|6.561052|5.771543|4.452754|3.779718|3.750387|4.321288|5.586391|8.291870|0.145057|5.434054|0.121035|6.240997|9.110978|4.695338|6.728335|4.376601|4.496762|3.470505|2.890252|2.848661|3.340192|5.466987|2.505861|17.572612|0.045829|0.051303|0.051886|0.050941|0.052212|0.051819|0.046047|0.059863|0.079010|0.094141|0.065753|0.112436|0.089292|0.088408|0.107535|0.130178|0.203390|0.154712|0.091700|0.070014|0.068713|0.065412|0.066764|0.065676|0.301580|0.500000| 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