Version2.4 2021-06-11T13:57:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(sc(n1)C)C(=O)C2=C(C(=O)N([C@H]2c3cccc4c3cccc4)c5nc(c(s5)C(=O)OC)C)[O-] C35565798 RHF 6-31G(d) (6D,7F) Cc1c(sc(n1)C)C(=O)C2=C(C(=O)N([C@H]2c3cccc4c3cccc4)c5nc(c(s5)C(=O)OC)C)[O-] C01[X(C26H20N3O5S2)] 162 C1 588 COC(=O)c1sc(nc1C)N1C(=O)C(=C([C@@H]1c1cccc2c1cccc2)C(=O)c1sc(nc1C)C)[O-] COC(=O)c1sc(nc1C)N1C(=O)C(=C([C@@H]1c1cccc2c1cccc2)C(=O)c1sc(nc1C)C)[O-] COC(=O)c1sc(nc1C)N2[C@@H](c3cccc4ccccc34)C(=C([O-])C2=O)C(=O)c5sc(C)nc5C InChIKey=XEHNRNPPKPUOQN-IBGZPJMESA-M InChI=1S/C26H21N3O5S2/c1-12-22(35-14(3)27-12)20(30)18-19(17-11-7-9-15-8-5-6-10-16(15)17)29(24(32)21(18)31)26-28-13(2)23(36-26)25(33)34-4/h5-11,19,31H,1-4H3/p-1/t19-/m0/s1 InChI=1/C26H21N3O5S2/c1-12-22(35-14(3)27-12)20(30)18-19(17-11-7-9-15-8-5-6-10-16(15)17)29(24(32)21(18)31)26-28-13(2)23(36-26)25(33)34-4/h5-11,19,31H,1-4H3/p-1/t19-/m0/s1/fC26H20N3O5S2/h31h/q-1 Cc1c(sc(n1)C)C(=O)C2=C(C(=O)N([C@H]2c3cccc4c3cccc4)c5nc(c(s5)C(=O)OC)C)[O-] C01[X(C26H20N3O5S2)] 162 C01 588 COC(=O)c1sc(nc1C)N1C(=O)C(=C([C@@H]1c1cccc2c1cccc2)C(=O)c1sc(nc1C)C)[O-] COC(=O)[C]1[C]([N][C](S1)N1C(=O)[C]([C]([C](=O)c2sc(nc2C)C)[C@@H]1[C]1[CH][CH][CH][C]2[C]1[CH]=[CH][CH]=[CH]2)=O)C COC(=O)[C]1S[C]([N][C]1C)N2[C@@H]([C]3[CH][CH][CH][C]4C=CC=C[C]34)[C](C(=O)C2=O)C(=O)c5sc(C)nc5C InChIKey=WFMCDJPEOJKEJO-IBGZPJMESA-N InChI=1S/C26H20N3O5S2/c1-12-22(35-14(3)27-12)20(30)18-19(17-11-7-9-15-8-5-6-10-16(15)17)29(24(32)21(18)31)26-28-13(2)23(36-26)25(33)34-4/h5-11,19H,1-4H3/t19-/m0/s1 InChI=1/C26H20N3O5S2/c1-12-22(35-14(3)27-12)20(30)18-19(17-11-7-9-15-8-5-6-10-16(15)17)29(24(32)21(18)31)26-28-13(2)23(36-26)25(33)34-4/h5-11,19H,1-4H3/t19-/m0/s1 4316.9183379406 -2328.9636273 1-A 17191.3387 135 453 588 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1.3530 3.3964 1.9277 2.2710 1.4332 2.8249 1.5804 1.5292 3.5743 2.1447 5.1801 1.8298 1.5584 4.9247 2.6957 1.2706 1.3921 3.8458 1.6225 2.6781 3.1876 2.7410 1.9515 2.4125 5.3505 5.1992 5.1755 6.1642 2.3463 1.6011 1.7168 2.4180 1.2968 1.9395 1.4486 2.0360 1.2598 1.0618 1.0551 1.0818 1.9686 1.2898 1.0799 1.0464 1.0484 2.3174 1.3523 2.9742 7.6010 6.9172 6.6201 8.3993 4.7146 12.8101 5.5215 12.7895 11.6692 13.0834 1.0409 1.0380 1.0419 1.0294 1.1020 1.1024 1.0841 1.1011 1.1017 1.1084 1.0988 1.1084 1.0870 1.0873 1.0922 1.0987 1.0954 1.0972 1.0937 1.0920 0.0003 0.0011 0.0023 0.0034 0.0035 0.0065 0.0098 0.0184 0.0150 0.0211 0.0047 0.0221 0.0104 0.0103 0.0483 0.0371 0.0144 0.0603 0.0343 0.1001 0.0394 0.0604 0.0901 0.1156 0.1104 0.1912 0.2219 0.2176 0.1895 0.2368 0.2806 0.3059 0.3936 0.6103 0.5917 1.1368 0.7602 0.5603 0.5294 0.5362 0.7315 0.6355 1.0656 0.5790 1.2091 1.3043 1.6137 1.5003 1.3870 0.9577 1.2311 1.2645 1.4108 1.4972 1.7002 1.2771 1.6845 1.8823 1.8520 2.1959 3.4794 1.4648 1.5072 0.7433 2.3949 2.3107 4.4607 1.8706 1.2210 2.1526 3.3581 0.9824 2.5725 2.3965 1.0208 2.3202 0.9138 3.9171 3.0795 0.9413 1.9292 2.4154 1.0213 2.2893 0.9859 2.4978 1.4889 1.7680 1.1298 2.2717 1.2878 1.2522 3.1118 1.8796 4.7779 1.7463 1.5284 4.8323 2.6538 1.2630 1.4015 3.9340 1.7366 2.8957 3.4832 3.0474 2.2035 2.8878 6.4783 6.3309 6.6494 7.9237 3.0867 2.2013 2.4175 3.4246 1.8516 2.7900 2.0988 3.0972 1.9343 1.6520 1.6424 1.6853 3.0813 2.0200 1.6948 1.6494 1.6668 3.7117 2.1751 4.9836 13.3163 12.5566 12.4030 15.9852 9.0491 24.9314 10.9851 28.5844 26.3513 31.9997 6.3079 6.2998 6.3632 6.3929 6.8827 6.9115 6.8256 6.9393 7.1173 7.2181 7.1858 7.2876 7.1473 7.1755 7.2534 7.3333 7.3284 7.3613 7.4251 7.5896 0.2024 0.1482 0.4013 0.1541 0.0471 0.5497 0.1286 3.1820 1.8177 0.5512 0.0595 2.1673 0.6290 0.2808 2.1790 0.3973 0.1241 0.3264 1.9116 0.6548 0.1153 2.4527 1.2974 2.8358 6.9587 8.1088 3.3290 1.6284 4.1281 0.9829 3.0229 2.1727 7.8441 1.6960 2.2131 4.8986 9.3892 1.7631 3.2173 9.4314 23.7650 3.7627 1.6410 1.9417 1.7524 12.3536 11.8703 7.3710 6.5802 5.9551 4.8455 12.6553 0.8639 4.5648 6.0497 2.1765 0.9068 10.6529 7.0954 4.6816 20.5887 4.7913 21.2518 11.4426 2.8130 1.2392 40.7803 11.5248 116.2740 46.5238 43.9874 8.1532 15.8970 6.9960 1.3037 5.9660 1.6269 23.3689 9.8300 1.5502 6.5282 15.2005 2.4745 8.8407 0.3098 4.5410 12.4471 53.0577 0.4621 1.2331 3.3921 1.1586 251.7850 69.3239 115.4253 12.5778 11.2139 83.8443 23.1483 3.1690 3.7128 59.4150 33.4941 10.7719 36.3553 283.8371 12.5086 101.2320 53.6321 985.2036 176.4619 4.0124 158.2087 241.1652 49.5924 556.7198 29.3772 286.5005 105.4565 5.7921 153.0195 15.5869 2.8096 7.7241 9.0228 52.4534 18.9594 4.7101 2.6011 388.3567 162.0506 12.2165 42.1788 166.5684 3.0207 55.5905 9.1287 473.9358 1.1424 859.4266 355.4334 510.0363 41.8730 31.0787 21.2858 55.0151 36.4201 26.1294 26.1708 17.5191 12.6763 34.0216 6.6659 28.1460 1.5280 2.1894 29.1849 4.3073 56.8873 59.7408 9.7204 11.8625 1.2807 1.2543 3.9076 5.2158 3.4369 4.3922 2.9111 1.9799 0.3549 1.4156 0.0905 0.5376 1.0097 0.3469 0.7035 2.3708 0.7402 0.9449 0.6075 0.5883 1.2211 0.3543 0.9960 0.7742 0.7237 2.3851 2.7426 3.0524 1.1254 2.8632 0.4181 2.0582 0.5108 1.6305 1.3011 0.9746 1.1987 2.6741 0.8822 3.4823 4.9019 0.7539 2.2496 0.2500 7.2447 1.3939 1.1987 6.4053 8.1495 9.0087 9.7655 5.1740 3.2750 2.5452 0.8229 1.8789 7.0469 2.8236 7.6476 2.0710 2.3088 5.9350 11.3969 6.7886 3.8951 2.5058 1.1777 2.8180 5.0574 16.5359 7.2648 1.7401 1.2735 8.8721 1.4962 0.8826 1.7884 5.7217 3.0751 0.4260 5.8526 5.6993 1.7883 4.9382 2.1955 1.0304 8.9354 20.2284 0.7539 8.0272 2.3390 3.1872 6.7471 2.8535 2.1132 5.1092 5.2205 22.5416 5.9218 5.5235 1.2409 0.9487 16.8712 24.0113 6.3265 3.4371 5.9500 37.1107 33.3838 155.6990 86.7223 149.7038 13.6706 13.7767 4.0652 53.8462 14.4155 37.8807 9.4672 25.3995 72.4492 20.4885 25.4168 19.4594 10.0362 10.1030 17.9512 15.0742 19.3258 288.6838 58.5398 1.7549 72.2665 41.4305 105.4256 21.4559 2.7504 105.8762 1.4398 42.5064 55.5030 73.5511 118.5639 174.5829 144.9161 116.9077 105.1708 84.6682 23.7261 85.5862 76.0962 60.1160 28.7159 60.7070 24.3553 61.6335 119.4014 41.6381 117.5178 256.2665 87.3875 60.8440 0.6581 0.7497 0.7494 0.7304 0.6988 0.7496 0.7241 0.7495 0.6396 0.7384 0.6337 0.7487 0.7458 0.7457 0.7134 0.7234 0.7299 0.7467 0.6890 0.7408 0.6982 0.7287 0.7269 0.5749 0.6748 0.4745 0.2441 0.2588 0.7372 0.4953 0.7472 0.7317 0.2666 0.6704 0.6489 0.3297 0.6984 0.4074 0.4839 0.1185 0.7430 0.7231 0.6982 0.7427 0.4484 0.6536 0.5932 0.5793 0.2999 0.1886 0.1432 0.2811 0.5357 0.7260 0.5216 0.2921 0.3555 0.2947 0.4246 0.6335 0.3503 0.2633 0.2475 0.6969 0.7088 0.6067 0.7312 0.6791 0.1314 0.0129 0.2983 0.3995 0.2887 0.0694 0.7419 0.6932 0.7344 0.6856 0.2044 0.6034 0.5976 0.3748 0.4268 0.2604 0.7165 0.6414 0.1050 0.2781 0.7373 0.2867 0.7434 0.6057 0.1664 0.6365 0.5171 0.6136 0.7463 0.2755 0.5068 0.7492 0.7236 0.3621 0.3838 0.0897 0.1096 0.4749 0.1565 0.4248 0.1541 0.3960 0.4291 0.1745 0.7443 0.5167 0.6885 0.7408 0.3336 0.3118 0.7302 0.3695 0.2802 0.4718 0.7340 0.6505 0.1757 0.5810 0.6592 0.7472 0.7426 0.3879 0.2031 0.3887 0.2482 0.3744 0.4599 0.3788 0.0341 0.6213 0.2156 0.3445 0.2350 0.2025 0.1194 0.0313 0.0774 0.0065 0.6454 0.6905 0.1054 0.7361 0.6781 0.7470 0.7362 0.7406 0.7416 0.6986 0.7228 0.6727 0.4341 0.1335 0.1315 0.1344 0.7938 0.8570 0.8567 0.8442 0.8227 0.8569 0.8400 0.8568 0.7802 0.8495 0.7758 0.8563 0.8544 0.8543 0.8327 0.8395 0.8438 0.8550 0.8159 0.8511 0.8223 0.8431 0.8419 0.7301 0.8058 0.6436 0.3924 0.4112 0.8487 0.6625 0.8553 0.8451 0.4210 0.8027 0.7871 0.4959 0.8224 0.5790 0.6522 0.2119 0.8526 0.8393 0.8223 0.8523 0.6192 0.7905 0.7447 0.7336 0.4614 0.3173 0.2505 0.4389 0.6976 0.8412 0.6856 0.4521 0.5246 0.4553 0.5961 0.7757 0.5189 0.4168 0.3968 0.8214 0.8296 0.7552 0.8447 0.8089 0.2323 0.0255 0.4595 0.5709 0.4480 0.1298 0.8518 0.8188 0.8469 0.8135 0.3394 0.7526 0.7481 0.5452 0.5983 0.4132 0.8348 0.7815 0.1900 0.4351 0.8488 0.4457 0.8528 0.7544 0.2853 0.7778 0.6817 0.7605 0.8547 0.4320 0.6727 0.8566 0.8397 0.5317 0.5547 0.1646 0.1975 0.6440 0.2707 0.5963 0.2671 0.5673 0.6005 0.2971 0.8534 0.6814 0.8155 0.8511 0.5003 0.4754 0.8440 0.5396 0.4378 0.6411 0.8466 0.7882 0.2989 0.7349 0.7946 0.8553 0.8523 0.5590 0.3376 0.5598 0.3977 0.5449 0.6300 0.5494 0.0660 0.7664 0.3547 0.5124 0.3806 0.3368 0.2133 0.0606 0.1436 0.0130 0.7845 0.8169 0.1907 0.8480 0.8082 0.8552 0.8481 0.8509 0.8516 0.8226 0.8391 0.8043 0.6054 0.2356 0.2324 0.2370 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 6 6 6 16 6 7 6 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 6 6 6 6 6 7 6 6 16 6 8 8 6 6 8 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 31.97207 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 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 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 15.99491 15.99491 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 12949.0258 22774.5230 26497.4819 0.99994 -0.01033 0.00205 0.01026 0.99948 0.03061 -0.00236 -0.03058 0.99953 1 0.00669 0.00380 0.00327 0.13937 0.07924 0.06811 13.56 25.31 37.03 44.26 51.70 66.28 70.61 93.42 93.94 107.06 122.12 127.73 134.23 144.37 184.97 189.31 202.65 217.82 224.08 243.45 261.16 269.70 278.45 290.22 325.89 336.31 362.27 378.86 409.04 435.08 439.40 457.96 480.47 504.34 533.79 556.33 583.00 622.29 628.44 646.34 674.96 703.37 748.17 753.57 779.86 790.02 808.93 821.75 851.75 875.63 886.24 902.68 930.84 951.98 986.49 1002.53 1038.35 1043.97 1060.16 1066.89 1126.11 1159.99 1173.69 1183.47 1224.66 1228.53 1243.52 1258.30 1266.05 1277.54 1282.72 1296.11 1311.19 1357.70 1393.15 1490.03 1492.02 1519.21 1546.69 1559.96 1569.85 1585.38 1590.26 1593.64 1600.07 1607.44 1647.30 1653.83 1664.25 1680.90 1691.99 1696.15 1748.96 1754.78 1800.19 1831.12 1856.27 1856.75 1859.79 1868.81 1880.76 1895.80 1939.23 1949.08 1959.40 1976.41 1991.81 2050.77 2062.53 2068.38 2124.63 2125.17 2149.96 2197.87 2224.28 2230.70 2239.77 2248.13 2256.22 2311.87 2322.63 2338.07 2338.61 2339.50 2345.05 2345.74 2348.24 2353.26 2363.44 2372.21 2377.21 2426.37 2480.99 2525.46 2565.67 2585.87 2596.85 2614.96 2643.89 2802.24 2816.75 2931.44 4614.26 4617.71 4632.23 4671.16 4684.47 4693.49 4703.33 4705.56 4764.27 4783.37 4793.37 4806.32 4806.51 4815.16 4830.51 4842.63 4848.22 4855.19 4883.86 4941.53 0.445618 0.477120 0.478064 0.378177 -2328.518009 -2328.486507 -2328.485563 -2328.585450 3.350226D-04 MUNgauss RevisionA2.1 retrievium 11-Jun-2021 DUDE Cc1c(sc(n1)C)C(=O)C2=C(C(=O)N([C@H]2c3cccc4c3cccc4)c5nc(c(s5)C(=O)OC)C)[O-] C35565798 RHF 6-31G(d) (6D,10F) C1 518.084440 |X|Y|Z| 99.354778 68.090813 51.802036 70.503071 26 6 7 16 21 3 2 |36.858105| |12.709303|36.858105| |7.498147|14.173349|36.858105| |4.761673|7.545969|10.919985|388.023441| |5.313287|8.633877|7.794029|78.007755|36.858105| |7.702568|13.721307|8.239180|53.294886|14.959088|53.358707| |3.875999|5.221329|4.855822|47.780778|12.695614|10.599329|36.858105| |5.960937|7.368645|12.535852|47.475897|4.838818|6.853701|3.535955|36.858105| |5.764588|6.231484|8.209725|36.622127|4.125949|6.016671|3.142233|15.756102|73.516695| |4.430339|5.182366|7.531855|39.776944|4.019710|5.439894|3.123888|13.313337|14.388642|36.858105| |3.460986|3.813147|4.976101|29.617247|3.153553|4.238538|2.587514|7.607614|11.474326|13.535733|36.858105| |2.902791|3.183592|3.950799|25.603928|2.805737|3.712256|2.382836|5.085673|7.675537|8.082863|12.388537|36.858105| |2.468431|2.663039|3.191754|21.341335|2.410495|3.182469|2.102094|3.931029|6.275656|5.440876|7.791174|16.082694|73.516695| |3.103650|3.472946|4.296937|28.292916|3.105976|4.085231|2.622384|5.112256|7.245868|8.156555|8.081009|13.617400|14.705697|53.358707| |4.027023|4.723239|6.220067|37.672684|3.981697|5.294473|3.174300|7.285134|9.109569|12.530106|7.875176|7.944697|9.578225|17.553537|36.858105| |3.898569|4.866325|6.471876|45.777544|4.583741|5.763046|3.652625|6.414293|8.131858|8.752843|6.005191|6.136447|8.133054|12.467619|17.627250|0.500000| |4.391985|4.727052|5.415010|30.830189|3.720440|5.274017|2.997572|5.817237|7.954531|7.407490|5.445758|5.480219|7.467077|10.474156|12.336425|0.244714|36.858105| |4.025976|3.967695|4.353919|24.516080|3.051998|4.421390|2.521183|5.033994|7.545066|6.200897|5.261923|5.283660|7.495244|8.772512|7.646746|0.156651|13.950069|36.858105| |3.765973|3.499848|3.578429|20.638576|2.721310|4.026382|2.303129|3.889025|6.178375|4.326059|3.833967|3.846470|5.864438|6.054462|4.990127|0.115400|7.844169|13.530951|36.858105| |3.813786|3.529860|3.446707|20.386024|2.809194|4.205814|2.406601|3.483049|5.510314|3.706932|3.204178|3.214414|4.968192|5.156957|4.370004|0.108565|6.760744|7.948639|14.032092|36.858105| |4.148073|4.060111|3.918441|23.693727|3.328432|4.963112|2.830950|3.707353|5.649920|3.907792|3.225885|3.237193|4.929431|5.418691|4.879693|0.128475|7.755494|6.866530|7.929523|13.468780|36.858105| |4.490187|4.836902|5.004798|30.177805|3.994464|5.758353|3.268389|4.650050|6.628964|5.119251|3.944763|3.962694|5.785693|7.109604|7.252703|0.195080|13.293919|7.917107|6.797280|7.773273|13.443157|36.858105| |4.235934|4.992258|5.111023|34.946758|4.814804|6.560245|4.002069|4.287923|6.103412|4.525567|3.505442|3.518940|5.237556|6.209948|6.170772|0.201140|7.550426|5.094313|4.506019|5.105631|7.848661|13.347602|36.858105| |3.788511|4.277124|4.069727|28.877333|4.425675|6.114356|3.984671|3.397699|5.090083|3.448202|2.809647|2.818139|4.345832|4.720437|4.286473|0.134434|5.067940|3.938175|3.787062|4.532098|6.830374|7.833483|14.037362|36.858105| |3.570237|3.704686|3.413955|23.015829|3.557428|5.171964|3.251212|2.971552|4.603201|2.994765|2.511885|2.518829|3.946852|4.110971|3.591630|0.105495|4.470443|3.784936|3.950544|5.142128|7.870964|6.733809|7.907653|13.463200|36.858105| |3.710941|3.638788|3.374580|21.494953|3.197550|4.768057|2.835528|3.068802|4.791754|3.129327|2.642092|2.649737|4.140326|4.313894|3.748179|0.104247|5.066740|4.538842|5.148004|7.739043|13.389234|7.755554|6.865633|7.961163|14.060840|36.858105| |2.660754|2.941612|3.458156|24.015279|2.765062|3.609373|2.423689|3.807574|5.637402|5.204368|5.172504|7.811435|11.852088|18.967392|7.610877|0.192733|6.147834|5.306581|4.060168|3.612252|3.832168|4.826853|4.376645|3.446148|3.023076|3.142263|36.858105| |2.309149|2.483839|2.840194|19.617977|2.331395|3.074991|2.083549|3.142623|4.859555|4.083523|4.337165|6.477491|11.776190|11.039971|5.204103|0.131574|4.683091|4.515439|3.696158|3.262896|3.308604|3.858688|3.479874|2.895515|2.640334|2.778300|14.813044|53.358707| |2.070992|2.225302|2.486893|17.651754|2.154454|2.825291|1.971972|2.648230|4.142573|3.263153|3.348872|4.485237|8.198447|7.386833|4.082932|0.110087|3.854097|3.660698|3.195305|2.961856|3.052171|3.451619|3.242559|2.803938|2.576774|2.666374|8.673898|19.021226|36.858105| |2.120495|2.315799|2.573833|18.819519|2.315211|2.996650|2.144259|2.644224|4.082941|3.194875|3.125388|3.970196|6.876263|6.866040|4.122412|0.118274|3.906541|3.500999|3.083773|2.980790|3.217490|3.703360|3.664565|3.194320|2.865560|2.877027|7.828653|11.251837|14.018897|36.858105| |2.570596|2.908061|3.328716|24.794736|2.936617|3.737361|2.651611|3.357541|4.964949|4.180941|3.834991|4.812234|7.590067|9.570992|6.029957|0.188692|5.307609|4.252739|3.526975|3.421518|3.907920|4.980706|5.143675|4.117066|3.443955|3.386895|10.935681|10.124604|7.490808|10.899936|388.023441| |1.899413|2.063186|2.241956|16.652261|2.113350|2.729928|2.009255|2.250534|3.529644|2.611971|2.535820|3.051808|5.335324|4.996390|3.229774|0.094385|3.149975|2.855759|2.624613|2.619603|2.843917|3.147714|3.226022|2.976411|2.714266|2.665928|4.919750|6.978854|7.492447|13.045938|48.234822|36.858105| |1.709978|1.833589|1.974205|14.537983|1.866142|2.428294|1.786141|1.994404|3.177862|2.286217|2.256071|2.687228|4.806581|4.223344|2.735648|0.078456|2.696496|2.520835|2.364760|2.354502|2.496538|2.684236|2.710453|2.548991|2.385860|2.366309|3.983674|5.955947|6.302797|8.026869|34.350236|15.939304|73.516695| |1.954038|2.149172|2.316416|17.634740|2.271315|2.900065|2.194920|2.260418|3.524570|2.572108|2.430352|2.828328|4.824617|4.665993|3.188842|0.096725|3.117301|2.743284|2.532751|2.594051|2.912700|3.249817|3.515744|3.334170|2.969984|2.809505|4.346309|5.661211|5.260810|8.254082|47.000677|14.308695|15.308992|73.516695| |1.751922|1.909420|2.022689|15.438818|2.040718|2.613340|2.015518|1.957716|3.100160|2.173432|2.062483|2.339508|4.030748|3.722824|2.600170|0.078197|2.575781|2.313102|2.187695|2.267825|2.522882|2.723238|2.959219|2.934652|2.685456|2.512880|3.289297|4.376606|3.922028|5.258083|31.668532|8.144885|12.928048|24.000022|36.858105| |1.809949|1.911141|2.101646|14.822045|1.844202|2.437939|1.707168|2.244188|3.603955|2.683975|2.816170|3.619779|6.949737|5.429863|3.161095|0.084504|3.061579|3.042509|2.772038|2.572591|2.575148|2.788754|2.614684|2.336276|2.206670|2.298400|5.339615|10.656404|12.712991|7.418603|33.680308|5.963303|10.941027|7.548101|3.475635|36.858105| |3.151304|3.372746|4.220360|25.517230|2.809839|3.801718|2.348007|6.216524|11.110637|7.902141|15.779426|8.018780|11.874820|7.444835|5.271458|0.122173|4.133620|4.188332|3.281422|2.771621|2.739939|3.203638|2.895787|2.407990|2.191835|2.302245|4.013476|4.898000|2.878459|2.667619|22.184632|2.222388|3.582170|3.781662|1.839678|2.519096|73.516695| |17.549351|8.948998|5.841459|29.727546|4.879258|9.515697|3.747601|4.813292|8.851478|3.664141|3.002022|2.538850|3.918118|3.624225|3.312712|0.090268|3.513781|3.294881|3.149725|3.201572|3.419701|3.600131|3.496334|3.257282|3.117424|3.187350|2.321113|2.786046|1.855559|1.897999|16.054588|1.721389|2.778536|3.152766|1.609318|1.642380|5.008885|0.500000| |17.541091|8.930737|5.937244|29.814930|4.819312|9.279007|3.690491|4.870309|8.079251|3.981003|3.158618|2.756409|4.195590|4.106736|3.879320|0.104691|4.534614|4.173661|4.111711|4.411790|4.905883|4.992319|4.627283|4.281427|4.215585|4.482452|2.649371|3.143120|2.092886|2.157206|18.500012|1.945223|3.113030|3.572305|1.806595|1.830109|5.060035|0.301776|0.500000| |17.641945|8.907335|7.080150|30.967453|4.385937|7.675948|3.304851|6.847666|12.668539|4.956037|3.900714|3.163737|4.748980|4.495205|4.255862|0.108938|4.649197|4.500475|4.140987|3.966546|4.078700|4.407493|3.920484|3.411553|3.248792|3.492927|2.768307|3.288658|2.132152|2.145339|18.347068|1.899740|3.050328|3.424567|1.717754|1.869283|6.373351|0.300874|0.299489|0.500000| |3.426449|4.474678|4.356120|43.611495|8.871873|8.209742|17.550427|3.295021|5.123884|3.042665|2.537531|2.400197|3.778030|3.660355|3.216460|0.105457|3.030138|2.516251|2.296721|2.417048|2.884551|3.360812|4.296214|4.374814|3.442805|2.921938|2.539224|2.958208|2.083024|2.306129|20.463878|2.181763|3.421094|4.317175|2.232790|1.791014|4.051743|0.090054|0.093116|0.083017|0.500000| |3.850938|4.863614|4.226136|36.337274|9.021973|10.169269|17.611574|3.165280|5.119765|2.790779|2.339607|2.160211|3.413383|3.221553|2.835865|0.088270|2.773663|2.378503|2.222401|2.355336|2.760142|3.076735|3.701282|3.859500|3.274434|2.837460|2.205155|2.614591|1.828329|1.979878|17.061682|1.872525|2.984187|3.629807|1.897467|1.598967|3.809648|0.106614|0.104337|0.089521|0.299983|0.500000| |3.434344|4.486238|4.362946|43.676713|8.876848|8.217607|17.551967|3.322197|5.374843|2.934063|2.488220|2.280945|3.614681|3.344682|2.904210|0.091751|2.683370|2.297962|2.093365|2.154287|2.475249|2.835353|3.350072|3.280705|2.750393|2.453919|2.268018|2.679310|1.863042|2.010315|17.415779|1.887861|3.004548|3.641202|1.891494|1.625705|4.080801|0.094307|0.088972|0.083557|0.301751|0.299939|0.500000| |3.669521|3.625700|4.097824|23.230151|2.820138|4.033324|2.345089|5.122490|7.943704|6.684710|6.378145|6.378689|8.934002|9.431063|7.214024|0.143628|9.033624|17.740605|8.898933|5.677463|4.950884|5.630123|4.120577|3.281574|3.129325|3.614430|5.353568|6.438932|3.673120|3.370436|28.219759|2.725367|4.328804|4.572732|2.176799|3.105740|8.986517|0.085415|0.101645|0.117029|0.064651|0.061174|0.060401|0.500000| |3.335129|3.045366|3.103477|18.121676|2.397044|3.537627|2.057443|3.436382|5.683909|3.774236|3.531055|3.539218|5.578819|5.265843|4.105328|0.096144|5.624976|8.862860|17.710007|8.993217|5.627769|4.912381|3.592084|3.132207|3.295139|4.162130|3.569619|4.628305|2.956941|2.787594|21.747021|2.401362|3.921981|4.070630|2.004612|2.656063|5.574900|0.079773|0.099469|0.103363|0.056739|0.055438|0.052571|0.216175|0.500000| |3.395257|3.081234|2.950989|17.815699|2.508085|3.764042|2.195302|2.959041|4.813972|3.083147|2.738359|2.745591|4.350941|4.274336|3.504712|0.089155|4.891928|5.634090|8.979267|17.697115|8.847834|5.571309|4.160273|3.958078|4.736585|7.132418|3.051858|3.865687|2.640963|2.653551|20.879880|2.394843|3.895896|4.219750|2.119890|2.359354|4.321764|0.081763|0.109849|0.097160|0.061153|0.060495|0.054887|0.124451|0.215339|0.500000| |4.059738|5.141137|5.706751|43.695026|5.498231|6.865893|4.504417|4.649659|6.430873|4.983581|3.785706|3.798712|5.592139|6.781810|6.930056|0.268066|6.879052|4.624957|3.899554|4.132951|5.596772|8.785286|17.802047|9.111780|5.652331|4.955375|4.694962|4.912768|3.337783|3.819991|40.706495|3.321012|4.900077|6.501937|3.035791|2.652581|5.488808|0.094311|0.116442|0.104826|0.137858|0.109942|0.104895|0.109494|0.089014|0.095675|0.500000| |3.419902|3.960397|3.779718|28.847474|4.595294|6.024141|4.447143|3.109079|4.712608|3.118734|2.581689|2.588200|4.042825|4.252087|3.759280|0.121031|4.115222|3.284895|3.131661|3.608641|4.929265|5.596269|9.033946|17.709796|8.822677|5.666901|3.130512|3.615807|2.612377|3.012203|27.247376|2.881802|4.401924|5.898259|2.988406|2.195621|3.983522|0.084151|0.104299|0.084815|0.143465|0.119783|0.099964|0.078735|0.074095|0.090144|0.220436|0.500000| |3.147489|3.232185|2.953749|20.368820|3.219567|4.650017|3.069716|2.580629|4.078817|2.574744|2.204369|2.209570|3.516189|3.527796|2.998205|0.088112|3.569241|3.131581|3.296873|4.163182|5.602692|4.878518|5.642362|8.808168|17.705270|9.003013|2.615260|3.173052|2.309370|2.566259|21.204032|2.496654|3.963453|4.895696|2.569348|2.015500|3.474981|0.078825|0.102125|0.079280|0.090644|0.087963|0.072643|0.074069|0.079128|0.112341|0.124643|0.213169|0.500000| |3.325114|3.153015|2.907188|18.533177|2.768379|4.144891|2.500180|2.697198|4.321266|2.732299|2.368048|2.373992|3.771204|3.764805|3.164930|0.086786|4.134621|3.966062|4.744930|7.155432|8.847232|5.570331|4.946472|5.639495|9.006211|17.694552|2.757356|3.414195|2.428635|2.581045|20.729962|2.429579|3.912591|4.501929|2.312039|2.145940|3.734684|0.081498|0.111314|0.087964|0.070978|0.070400|0.060980|0.090374|0.112345|0.218848|0.107534|0.124165|0.216117|0.500000| |1.627996|1.772941|1.886413|14.460406|1.898512|2.423535|1.882954|1.840492|2.936634|2.041500|1.965664|2.234241|3.909281|3.479093|2.396816|0.071660|2.333320|2.118638|1.996034|2.042165|2.237748|2.416848|2.598951|2.553383|2.343139|2.211880|3.051096|4.140348|3.720992|4.772392|28.077200|7.195062|12.889840|16.451946|17.625300|3.419424|3.147391|0.041781|0.046281|0.044508|0.057631|0.049163|0.049657|0.056177|0.051319|0.053203|0.074853|0.072395|0.062487|0.056959|0.500000| |1.694972|1.821921|1.910409|14.309845|1.913904|2.484599|1.883167|1.856576|2.959080|2.052112|1.952327|2.205486|3.809911|3.488260|2.442240|0.072136|2.481152|2.267626|2.186742|2.285734|2.514735|2.641817|2.812416|2.828257|2.671229|2.531452|3.062865|4.157292|3.731969|4.780511|28.139638|7.205108|12.886217|16.453101|17.626579|3.428661|3.110070|0.043311|0.048893|0.046260|0.057419|0.049757|0.048969|0.059079|0.056006|0.060068|0.078138|0.078912|0.071628|0.065635|0.300423|0.500000| |1.789238|1.964401|2.065580|16.009924|2.147933|2.729842|2.155309|1.964210|3.105432|2.150290|2.012635|2.240452|3.815388|3.564942|2.560982|0.078272|2.538157|2.250344|2.131825|2.236856|2.531251|2.739169|3.071964|3.126832|2.823668|2.570424|3.061481|3.958748|3.391995|4.429129|29.649049|5.940507|9.235588|16.964238|17.650571|2.976707|3.193134|0.045775|0.051351|0.048262|0.067246|0.056419|0.055960|0.058415|0.053974|0.058140|0.088018|0.090999|0.075956|0.065364|0.298589|0.298668|0.500000| |1.818054|1.891570|2.062823|14.253863|1.790111|2.395616|1.647961|2.218903|3.590098|2.641728|2.778889|3.521577|6.721412|5.219239|3.083512|0.080619|3.090454|3.185498|2.964421|2.717253|2.646778|2.801066|2.559571|2.293595|2.207039|2.344072|4.906417|9.623496|9.002504|5.866458|29.776889|4.858293|8.903418|6.536610|3.088895|17.555100|4.445225|0.045789|0.051313|0.052497|0.047696|0.043153|0.043473|0.090856|0.080308|0.069710|0.070813|0.059214|0.055938|0.061426|0.083109|0.086733|0.074778|0.500000| |1.691818|1.786802|1.944340|13.878508|1.750859|2.308407|1.641612|2.040671|3.289515|2.390394|2.466033|3.057117|5.760145|4.599779|2.798790|0.076412|2.739803|2.691391|2.503526|2.380981|2.408401|2.575487|2.464816|2.250259|2.136421|2.200050|4.383880|7.737557|8.857205|6.948598|30.627730|6.726405|14.354093|8.136427|3.864955|17.685809|3.955215|0.042894|0.047720|0.048126|0.048107|0.042871|0.043450|0.075027|0.066591|0.061434|0.069278|0.059371|0.054829|0.057410|0.107659|0.107733|0.089247|0.299187|0.500000| 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