Version2.1 2021-01-14T10:57:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1=C([C@@H](N2CCCSC2=[NH+]1)c3cccc(c3)NC(=O)Nc4ccc(cc4)C#N)C(=O)NC C35337814 RHF 6-31G(d) (6D,7F) CC1=C([C@@H](N2CCCSC2=[NH+]1)c3cccc(c3)NC(=O)Nc4ccc(cc4)C#N)C(=O)NC C01[X(C24H25N6O2S1)] 168 C1 549 CNC(=O)C1=C(C)[NH+]=C2N([C@H]1c1cccc(c1)NC(=O)Nc1ccc(cc1)C#N)CCCS2 CNC(=O)C1=C(C)[NH+]=C2N([C@H]1c1cccc(c1)NC(=O)Nc1ccc(cc1)C#N)CCCS2 CNC(=O)C1=C(C)[NH+]=C2SCCCN2[C@H]1c3cccc(NC(=O)Nc4ccc(cc4)C#N)c3 InChIKey=YJUBNEDFNBRZPX-NRFANRHFSA-O InChI=1S/C24H24N6O2S/c1-15-20(22(31)26-2)21(30-11-4-12-33-24(30)27-15)17-5-3-6-19(13-17)29-23(32)28-18-9-7-16(14-25)8-10-18/h3,5-10,13,21H,4,11-12H2,1-2H3,(H,26,31)(H2,28,29,32)/p+1/t21-/m0/s1 InChI=1/C24H24N6O2S/c1-15-20(22(31)26-2)21(30-11-4-12-33-24(30)27-15)17-5-3-6-19(13-17)29-23(32)28-18-9-7-16(14-25)8-10-18/h3,5-10,13,21H,4,11-12H2,1-2H3,(H,26,31)(H2,28,29,32)/p+1/t21-/m0/s1/fC24H25N6O2S/h26-29H/q+1 CC1=C([C@@H](N2CCCSC2=[NH+]1)c3cccc(c3)NC(=O)Nc4ccc(cc4)C#N)C(=O)NC C01[X(C24H25N6O2S1)] 168 C01 549 CNC(=O)C1=C(C)[NH+]=C2N([C@H]1c1cccc(c1)NC(=O)Nc1ccc(cc1)C#N)CCCS2 CNC(=O)C1=C(C)[NH][C]2[N@]([C@H]1[C]1[CH][CH][CH][C]([CH]1)NC(=O)N[C]1[CH][CH][C]([CH][CH]1)C#N)CCCS2 CNC(=O)C1=C(C)N[C]2SCCCN2[C@H]1[C]3[CH][CH][CH][C]([CH]3)NC(=O)N[C]4[CH][CH][C]([CH][CH]4)C#N InChIKey=VTSKWRVYQQFZCE-NRFANRHFSA-N InChI=1S/C24H25N6O2S/c1-15-20(22(31)26-2)21(30-11-4-12-33-24(30)27-15)17-5-3-6-19(13-17)29-23(32)28-18-9-7-16(14-25)8-10-18/h3,5-10,13,21,27H,4,11-12H2,1-2H3,(H,26,31)(H2,28,29,32)/t21-/m0/s1 InChI=1/C24H25N6O2S/c1-15-20(22(31)26-2)21(30-11-4-12-33-24(30)27-15)17-5-3-6-19(13-17)29-23(32)28-18-9-7-16(14-25)8-10-18/h3,5-10,13,21,27H,4,11-12H2,1-2H3,(H,26,31)(H2,28,29,32)/t21-/m0/s1/f/h26,28-29H 3314.4384085994 -1797.1817054 1-A 25731.2495 121 428 549 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.12802 -20.63159 -20.62590 -15.79472 -15.78275 -15.70984 -15.70071 -15.68771 -15.61652 -11.55677 -11.49023 -11.46204 -11.44630 -11.44089 -11.43077 -11.42097 -11.40591 -11.39064 -11.37808 -11.37755 -11.37581 -11.36126 -11.35268 -11.35135 -11.34847 -11.34477 -11.34127 -11.33545 -11.32594 -11.32246 -11.31788 -11.31734 -11.30684 -9.13948 -6.82238 -6.82037 -6.81865 -1.52611 -1.51747 -1.50222 -1.41891 -1.37870 -1.34830 -1.33707 -1.29167 -1.27522 -1.26350 -1.24151 -1.23310 -1.19365 -1.16833 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103.6699 112.9900 125.7935 130.5708 135.0374 150.2302 170.0139 187.2473 199.7695 221.8323 234.0784 262.4509 264.3961 284.5999 294.8846 305.9105 306.2410 319.3382 357.6610 382.5816 388.8407 388.9724 394.5774 436.3050 452.1592 469.1163 486.5984 490.3983 503.7543 527.4652 529.4227 530.0005 551.4392 554.1577 607.9924 612.7508 614.4909 625.0546 631.5357 646.1200 685.4493 708.4001 711.9517 718.4751 732.0935 772.9478 784.5229 798.3740 823.7834 830.1962 837.9493 839.3473 883.3341 895.4071 902.3146 908.0297 930.3474 941.9570 946.2317 961.6157 973.6327 985.0718 1005.4372 1022.1888 1038.8112 1051.4775 1084.3125 1088.3918 1102.9900 1113.4503 1113.7663 1115.6305 1130.4008 1130.8567 1154.3947 1169.5531 1176.1621 1205.3081 1210.0004 1214.9160 1234.6027 1238.3611 1255.6445 1282.2971 1288.2786 1299.0867 1300.5702 1305.6465 1314.3829 1317.9369 1325.9461 1343.9805 1345.8902 1363.6769 1376.4029 1400.5377 1418.8095 1421.8726 1450.4136 1457.6980 1463.4040 1470.1899 1490.9147 1498.0350 1533.4842 1551.8514 1563.9392 1574.1809 1589.9949 1606.9952 1618.4814 1623.4877 1623.7067 1631.5148 1632.5937 1649.5610 1650.6257 1670.1023 1688.1289 1697.1047 1711.7888 1716.4219 1723.8949 1786.0406 1791.3697 1794.5924 1805.0760 1816.1844 1906.4912 1955.0746 1976.8002 2607.1440 3212.7386 3236.4174 3242.2113 3250.3710 3269.7463 3272.5627 3276.0109 3292.5746 3309.0004 3338.1062 3339.4401 3342.5456 3349.1335 3357.0192 3374.6880 3393.1691 3393.7188 3396.7394 3400.5573 3461.4315 3467.4916 3841.6078 3864.3248 3877.0697 3882.2958 6.5263 4.1283 6.6587 4.3356 4.7121 7.5644 4.7512 5.1484 6.6435 6.5636 3.2574 3.2702 2.6380 1.1107 5.5314 3.8152 1.9604 5.5032 3.8214 3.9643 4.4262 3.7521 5.0295 5.6492 3.7515 5.3170 3.2408 5.6046 3.0940 4.4642 1.9563 2.2939 3.4323 4.9539 5.1343 2.9884 4.4189 6.8434 4.8474 3.0893 2.7819 2.4595 2.3889 1.6417 2.2162 1.2426 7.5075 3.0570 3.2604 4.9556 6.2270 6.7494 6.4496 3.4980 7.0139 5.2621 3.2086 4.1596 3.8262 3.8497 6.0439 5.5509 6.5066 3.9111 4.7765 5.4413 1.7535 1.4000 3.4259 1.5345 1.4805 2.6978 2.0032 2.3292 3.5679 1.4756 2.7165 6.0613 1.3665 2.1662 2.2125 1.7222 2.6688 1.3514 2.1606 4.6987 1.5237 1.5171 3.0611 1.7885 2.0334 3.3236 3.6592 1.2878 2.6533 1.8951 1.9356 1.7823 1.4839 1.7735 1.9089 1.8034 1.4280 2.0595 3.0746 2.6198 1.6484 2.1928 2.4796 1.4097 1.4909 1.3802 1.3767 1.3808 1.7059 1.4022 1.5891 2.4548 1.2604 2.2532 1.1688 1.0714 1.0807 1.0539 1.1154 1.0618 1.0870 1.1276 2.3965 2.2057 2.0685 2.2697 1.7748 1.9807 2.8817 3.5315 4.1729 4.6647 5.2272 8.0607 9.4554 8.1025 12.6981 1.0451 1.0366 1.0627 1.0712 1.0878 1.1013 1.0649 1.1002 1.1036 1.1107 1.0915 1.1059 1.0985 1.0913 1.0894 1.0964 1.0959 1.0935 1.0956 1.0945 1.0938 1.0802 1.0783 1.0776 1.0789 0.0002 0.0004 0.0020 0.0026 0.0039 0.0082 0.0066 0.0121 0.0178 0.0204 0.0121 0.0207 0.0198 0.0104 0.0556 0.0410 0.0261 0.0937 0.0789 0.0932 0.1283 0.1211 0.2041 0.2327 0.1790 0.2724 0.1787 0.3097 0.1859 0.3365 0.1687 0.2043 0.3060 0.4544 0.5758 0.3600 0.5730 0.9547 0.6868 0.4619 0.4560 0.4062 0.3954 0.2941 0.4010 0.2706 1.6608 0.6801 0.7505 1.1645 1.5316 1.8684 1.9070 1.0447 2.1332 1.6617 1.1294 1.5084 1.4369 1.5392 2.4543 2.2964 2.7008 1.7980 2.2563 2.6102 0.8518 0.7140 1.7910 0.8095 0.8066 1.5068 1.1453 1.3873 2.1965 0.9382 1.7695 4.1988 0.9538 1.5527 1.6161 1.2587 1.9571 1.0174 1.6280 3.6892 1.2280 1.2365 2.6201 1.5428 1.7684 2.9848 3.3062 1.1962 2.5705 1.8531 1.9246 1.7762 1.4904 1.8052 1.9535 1.8681 1.5197 2.1981 3.3687 2.9243 1.9050 2.6007 2.9536 1.7473 1.8665 1.7414 1.7532 1.8084 2.2555 1.9428 2.2547 3.5376 1.8402 3.3562 1.7783 1.6536 1.6782 1.6370 1.7493 1.6674 1.7427 1.8100 3.9383 3.7034 3.5101 3.9185 3.0807 3.4681 5.4161 6.6771 7.9181 8.9551 10.1587 17.2620 21.2941 18.6549 50.8533 6.3559 6.3973 6.5819 6.6680 6.8520 6.9489 6.7335 7.0276 7.1194 7.2919 7.1714 7.2797 7.2599 7.2458 7.3101 7.4378 7.4368 7.4336 7.4645 7.7264 7.7487 9.3926 9.4874 9.5440 9.5806 1.8637 0.4760 2.0369 2.3227 1.3827 8.9096 2.1224 2.2270 0.5355 1.5131 2.0051 0.4105 1.8580 0.1237 2.7781 0.5565 4.4867 1.5962 2.0885 6.1126 3.9429 7.5481 5.8417 1.1395 8.8810 4.7128 1.9551 9.3151 9.3798 21.6942 8.5267 18.4913 6.3309 5.8659 0.6640 0.9633 1.2883 28.7381 0.7197 11.2899 69.4788 16.2121 48.1684 122.4444 48.8451 101.7545 0.8626 5.5933 24.6847 0.3577 0.4084 2.2440 2.4922 10.9462 12.0460 4.8467 4.4511 12.5476 2.8531 12.5477 33.9682 35.3831 4.0436 10.7415 44.1327 22.7088 13.3465 24.2396 3.3754 7.4073 50.0383 5.3891 25.9329 4.6984 8.1944 3.6247 6.3969 8.5096 0.0672 4.3311 2.9522 1.6095 1.4394 1.6338 19.6514 15.9021 6.6487 0.5370 2.4897 0.8382 10.2773 8.0408 21.0895 9.1025 46.1355 28.2479 11.1194 3.8250 33.7026 268.4115 32.2300 8.8169 185.9761 77.9230 51.8199 572.2005 251.5501 24.9962 42.5300 18.3845 108.2064 40.0814 6.9127 124.8779 12.6281 8.7240 72.0347 92.4282 3.4754 53.1293 4.1977 41.2316 6.8162 17.0330 11.6819 14.8473 13.4089 18.7443 361.9254 43.9884 513.7801 386.1962 113.0109 1000.1482 255.1577 265.5079 35.0691 29.0233 39.6170 115.9254 403.9695 248.7388 63.8112 17.5489 40.9556 6.7458 11.7051 6.8451 8.4560 3.5317 12.1354 23.9640 1.0981 10.4315 11.3502 4.8073 17.3293 5.6796 0.1768 8.4208 2.5159 3.1258 2.4688 1.7345 145.2953 4.0595 53.3990 80.7920 2.1019 7.8033 1.7091 1.9003 1.4372 0.7693 0.9088 2.7955 1.9940 1.7674 2.0955 0.6347 0.5563 0.3278 2.5042 1.9157 0.1608 1.5217 1.2957 1.3210 0.7601 3.8636 0.5983 0.2519 1.3499 2.4319 1.2417 0.3002 1.5109 1.0015 0.5231 1.8051 1.1252 1.5379 0.8148 0.2778 2.6769 2.1926 1.5302 1.9606 5.6329 1.6836 2.7221 3.1068 2.6053 1.4478 5.2260 1.9322 4.2523 0.7879 3.2094 3.2793 4.2369 3.6614 10.7918 2.7623 1.4848 2.3746 5.8587 4.8245 2.5071 2.8865 2.4755 5.4376 2.2130 9.3244 1.3680 2.8750 16.6592 6.9577 0.6041 2.6317 2.7097 3.9629 5.7694 0.3989 3.4752 48.4046 3.5777 4.4073 14.5390 11.9542 2.6198 0.5064 7.9411 0.5501 2.5546 2.5360 2.4233 4.8318 0.9064 11.0061 4.2664 3.0364 6.1198 5.9262 53.9700 58.3969 6.2449 0.6669 2.7941 3.5648 3.0802 3.8884 1.5102 5.7052 17.9314 64.9427 79.0027 1.4967 16.8145 7.3943 1.5588 1.6952 7.8259 1.8541 3.3289 1.2126 12.7172 4.0390 6.7343 33.8430 20.4267 7.8335 17.2972 11.9113 9.3298 3.9845 5.6043 2.4677 14.6425 19.0030 10.6186 5.6958 27.8296 9.3224 58.4891 41.8322 386.8558 105.1518 4.5308 86.5621 520.8256 167.7614 112.3934 105.0933 63.6152 33.9541 106.2013 115.9357 107.7199 65.4867 81.2006 41.5651 58.2435 53.9158 61.9533 34.4844 45.4206 100.9628 75.6149 108.8101 87.1109 61.7714 50.6667 5.7955 112.5475 72.6430 0.7445 0.7468 0.7491 0.7481 0.6902 0.7454 0.6997 0.7491 0.6011 0.6984 0.7288 0.7446 0.6254 0.6618 0.7487 0.4114 0.7026 0.5024 0.6198 0.6144 0.6288 0.7237 0.4425 0.3897 0.7244 0.1670 0.5018 0.6208 0.2735 0.6744 0.2698 0.2592 0.7067 0.2976 0.7237 0.5894 0.3505 0.6172 0.6686 0.2259 0.7169 0.5074 0.4279 0.7500 0.5064 0.6583 0.7468 0.6396 0.7500 0.7289 0.5583 0.7444 0.7480 0.2783 0.2120 0.2517 0.4331 0.2757 0.7440 0.2125 0.3072 0.2942 0.7500 0.1295 0.6707 0.1969 0.5005 0.6651 0.1436 0.0595 0.7477 0.1580 0.7454 0.0585 0.0989 0.7374 0.4748 0.1437 0.7499 0.6502 0.2186 0.3619 0.7477 0.5927 0.3999 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6 8 7 6 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 1.00783 14.00307 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 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 7079.6265 42517.0043 46591.1278 1.00000 0.00011 0.00118 -0.00013 0.99988 0.01551 -0.00118 -0.01551 0.99988 1 0.01223 0.00204 0.00186 0.25492 0.04245 0.03874 10.53 18.87 32.28 45.61 53.89 61.87 69.76 90.94 97.09 104.56 114.16 149.16 162.57 180.99 187.86 194.29 216.15 244.61 269.41 287.42 319.17 336.79 377.61 380.41 409.48 424.27 440.14 440.61 459.46 514.59 550.45 559.46 559.64 567.71 627.75 650.56 674.95 700.11 705.57 724.79 758.90 761.72 762.55 793.40 797.31 874.77 881.61 884.12 899.31 908.64 929.62 986.21 1019.23 1024.34 1033.73 1053.32 1112.10 1128.75 1148.68 1185.24 1194.47 1205.62 1207.63 1270.92 1288.29 1298.23 1306.45 1338.56 1355.27 1361.42 1383.55 1400.84 1417.30 1446.60 1470.70 1494.62 1512.84 1560.08 1565.95 1586.96 1602.01 1602.46 1605.14 1626.39 1627.05 1660.92 1682.73 1692.23 1734.17 1740.92 1747.99 1776.32 1781.73 1806.59 1844.94 1853.55 1869.10 1871.23 1878.53 1891.10 1896.22 1907.74 1933.69 1936.44 1962.03 1980.34 2015.06 2041.35 2045.76 2086.82 2097.30 2105.51 2115.28 2145.09 2155.34 2206.34 2232.77 2250.16 2264.90 2287.65 2312.11 2328.63 2335.84 2336.15 2347.39 2348.94 2373.35 2374.88 2402.90 2428.84 2441.76 2462.88 2469.55 2480.30 2569.71 2577.38 2582.02 2597.10 2613.08 2743.02 2812.92 2844.17 3751.10 4622.41 4656.48 4664.82 4676.56 4704.44 4708.49 4713.45 4737.28 4760.91 4802.79 4804.71 4809.18 4818.66 4830.00 4855.42 4882.01 4882.80 4887.15 4892.64 4980.23 4988.95 5527.22 5559.90 5578.24 5585.76 0.502970 0.532301 0.533245 0.437236 -1796.678735 -1796.649405 -1796.648461 -1796.744469 3.220124D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CC1=C([C@@H](N2CCCSC2=[NH+]1)c3cccc(c3)NC(=O)Nc4ccc(cc4)C#N)C(=O)NC C35337814 RHF 6-31G(d) (6D,10F) C1 461.175971 |X|Y|Z| 56.771057 31.741023 146.630551 64.168830 25 6 7 16 20 4 1 |36.858105| |12.679620|36.858105| |7.445189|14.381461|36.858105| |4.853571|7.709352|12.536849|36.858105| |4.145494|5.900382|8.992543|17.612895|0.500000| |4.501910|6.890006|7.701916|12.743807|0.257134|53.358707| |3.353432|4.508775|5.018357|7.577743|0.205365|17.577611|36.858105| |2.930015|3.727527|3.855272|5.106283|0.131777|10.414996|12.538345|36.858105| |2.966698|3.648276|3.525941|4.220846|0.108222|8.517741|7.579445|12.541879|36.858105| |3.886696|4.843848|4.228751|4.636714|0.111709|9.523556|6.097527|6.853799|10.421945|388.023441| |5.192435|7.905479|6.858594|7.797285|0.166249|19.965346|7.831642|6.600535|6.762672|77.543098|36.858105| |7.853566|13.470506|8.116275|6.903742|0.146051|11.386458|5.217268|4.550093|4.709621|52.322633|14.318326|53.358707| |7.604206|9.179309|5.890915|5.072568|0.114704|8.194959|4.298309|4.015990|4.410682|52.026717|9.517936|25.986134|0.500000| |3.952015|5.505470|7.407755|12.485023|0.248290|10.504757|6.105686|4.773462|3.766996|27.900099|5.678797|7.074582|0.115489|36.858105| |3.968164|5.266065|6.067156|7.505063|0.155475|8.326728|4.868789|4.353941|3.602098|27.760744|5.353220|7.114620|0.120920|13.725442|36.858105| |3.160383|3.848891|4.286096|5.009091|0.116972|5.929003|3.869366|3.677289|3.064876|22.592743|3.930976|5.220270|0.094154|7.961391|13.764485|36.858105| |2.696303|3.222517|3.693484|4.416904|0.111287|5.165943|3.606462|3.389907|2.773924|19.543636|3.311687|4.300591|0.078047|6.834450|7.889179|13.766098|36.858105| |2.690229|3.272346|3.939756|4.995764|0.133940|5.564393|4.017288|3.563234|2.838609|19.543354|3.376334|4.284523|0.076410|7.858183|6.821017|7.944663|13.691788|36.858105| |3.145134|4.033960|5.219629|7.563441|0.206837|7.462648|5.219164|4.193432|3.262655|22.690561|4.178086|5.182660|0.089052|13.713150|7.944380|6.930174|7.940679|13.672795|36.858105| |2.287515|2.696728|3.186875|3.877779|0.110213|4.501950|3.399159|3.063481|2.483008|16.730666|2.781764|3.532744|0.064190|5.171036|4.542201|5.144521|7.761657|13.583251|7.946833|53.358707| |2.040237|2.332989|2.685217|3.092422|0.086903|3.668395|2.733615|2.535009|2.124894|14.476494|2.350680|3.048509|0.056415|3.920901|3.698468|4.346358|6.304045|7.698351|5.207982|18.727528|36.858105| |2.034574|2.295664|2.601909|2.912122|0.079739|3.464577|2.520232|2.370967|2.021509|14.022622|2.268700|2.993541|0.055854|3.710237|3.711680|4.592293|6.661830|6.695557|4.594811|11.438770|15.948200|73.516695| |1.822616|2.059273|2.349034|2.676680|0.076928|3.241012|2.463736|2.294511|1.944624|13.096000|2.088845|2.699519|0.050333|3.206308|2.979341|3.339788|4.389559|5.253517|4.114457|11.357861|13.948876|14.908751|53.358707| |1.628919|1.806169|2.024772|2.246553|0.064155|2.760390|2.084779|1.969555|1.705641|11.558970|1.815118|2.370073|0.044709|2.617939|2.493778|2.787825|3.487191|3.865064|3.178354|7.108371|7.654232|11.635242|18.397508|36.858105| |1.488610|1.642643|1.827409|2.024020|0.058309|2.529455|1.936893|1.841663|1.606234|10.779608|1.669900|2.169508|0.041121|2.296231|2.173149|2.374968|2.868616|3.177734|2.738035|5.600397|5.178519|7.962231|10.872020|13.680414|36.858105| |1.356654|1.478969|1.627049|1.773499|0.050817|2.233681|1.699269|1.628075|1.441312|9.732301|1.493670|1.954534|0.037329|1.983757|1.901975|2.070235|2.435057|2.618843|2.300842|4.366570|3.908306|6.452187|7.079552|7.916406|13.822999|36.858105| |1.333553|1.441982|1.577888|1.697860|0.048191|2.131224|1.599590|1.535925|1.370108|9.358814|1.437296|1.898827|0.036404|1.904426|1.853666|2.035184|2.376533|2.491365|2.178088|4.042706|3.682543|6.460715|6.193798|6.854495|7.951902|13.710312|36.858105| |1.431683|1.548981|1.699996|1.823292|0.051350|2.264375|1.680307|1.608148|1.430503|9.856527|1.527000|2.029161|0.038827|2.076759|2.041262|2.277843|2.695110|2.785328|2.381903|4.516791|4.327982|8.022504|6.988476|7.959519|6.905487|7.941617|13.720076|36.858105| |1.590151|1.740874|1.933388|2.099547|0.059129|2.574709|1.908978|1.812870|1.591318|10.950556|1.717214|2.273631|0.043162|2.444686|2.389087|2.705484|3.323677|3.489563|2.878112|5.925123|6.289360|11.702699|10.509791|13.698992|7.914091|6.843941|7.898767|13.781318|36.858105| |1.216929|1.303920|1.413853|1.506076|0.042650|1.905643|1.427024|1.377620|1.242651|8.515701|1.296915|1.720222|0.033182|1.667019|1.632254|1.777059|2.028621|2.100067|1.871257|3.301808|2.887759|5.139922|4.606568|4.512252|5.125550|7.758495|13.204905|7.754871|5.107523|36.858105| |1.137889|1.212031|1.306314|1.382819|0.039102|1.758956|1.315248|1.273992|1.157679|7.950916|1.204185|1.601236|0.031013|1.517598|1.490959|1.613678|1.816575|1.868184|1.684129|2.885055|2.466546|4.412603|3.832962|3.555415|3.963815|5.458256|7.387069|5.453033|3.953154|16.766615|53.358707| |6.239421|7.739642|12.626000|7.304981|0.194982|6.767225|3.823308|3.038496|2.794336|22.689008|4.473261|6.918260|0.116801|5.609947|4.675189|3.676362|3.354623|3.657216|4.655216|4.206373|2.665316|4.596908|3.211872|2.051542|1.848922|1.652680|1.609834|1.738540|1.972527|1.444035|1.816516|36.858105| |6.514499|6.654264|8.076261|5.250263|0.144792|5.570769|3.268923|2.672744|2.539410|20.819208|3.891329|6.143099|0.109215|4.169908|3.670760|3.015717|2.777158|2.977526|3.611758|3.545817|2.304497|3.994988|2.834133|1.844318|1.681876|1.520897|1.486164|1.594862|1.784434|1.346077|1.703953|15.882585|73.516695| |4.454079|5.312508|7.845322|6.474517|0.185312|5.899590|3.572698|2.869714|2.561339|19.847361|3.749418|5.453468|0.094388|5.923141|4.765530|3.937872|3.778749|4.292566|5.463276|4.969275|3.132701|5.366385|3.731368|2.351745|2.087442|1.847641|1.800115|1.961824|2.257735|1.597859|1.995628|14.121774|15.114864|53.358707| |3.633499|3.938710|5.028012|4.356790|0.127855|4.457818|2.848984|2.370588|2.151783|16.441872|2.931397|4.249101|0.076683|4.169038|3.592190|3.193676|3.173365|3.559537|4.147319|4.408254|2.918324|5.035879|3.577157|2.310802|2.061894|1.846091|1.812105|1.974486|2.247021|1.617683|2.026016|7.842426|12.344345|17.820735|36.858105| |17.538433|8.954012|5.776388|4.216132|0.099184|5.538454|3.103199|2.822870|2.897013|27.442457|4.854842|9.994012|0.225311|3.664148|3.897449|3.168086|2.651998|2.573582|2.926949|2.973987|1.969213|3.530532|2.387129|1.576784|1.439538|1.317186|1.300618|1.399217|1.549307|1.190229|1.517612|4.838380|8.643583|5.139401|3.159587|0.500000| |17.557972|8.939609|6.003686|4.262296|0.105764|5.667660|3.207318|2.814924|2.929523|27.431997|4.859880|9.327624|0.196337|3.417306|3.349336|2.732580|2.386294|2.409380|2.806617|2.843919|1.869684|3.291122|2.304285|1.521030|1.403159|1.283491|1.257933|1.340833|1.479666|1.152921|1.471816|5.276286|10.505256|5.258626|3.270310|0.300438|0.500000| |17.722799|8.877425|6.922530|4.481693|0.109944|5.324077|3.020129|2.625775|2.602412|23.002857|4.213402|7.741165|0.149171|3.781025|3.757849|3.069743|2.664576|2.673178|3.097355|3.120523|2.064248|3.676088|2.511769|1.655476|1.507815|1.376909|1.359121|1.464342|1.625693|1.240692|1.579021|7.073599|14.383511|6.772781|4.175221|0.300141|0.302833|0.500000| |3.095854|4.090165|4.820153|7.695282|0.227182|12.602528|17.684936|8.920901|5.538184|32.839855|5.879141|6.000777|0.101972|7.051992|5.173943|4.218429|4.128951|4.893653|6.692526|5.613901|3.178131|5.082421|3.873386|2.351964|2.172114|1.877424|1.753066|1.844158|2.120952|1.548092|1.929385|3.851036|5.732562|5.167422|3.020433|0.079561|0.081084|0.079693|0.500000| |3.200247|4.159884|4.576357|6.235160|0.187363|12.409558|17.573189|8.795212|6.927116|39.590965|6.567852|6.362597|0.109971|4.818419|3.907300|3.207836|3.050413|3.419726|4.338488|4.107956|2.475657|4.045520|3.106383|1.953481|1.838332|1.622606|1.522874|1.586807|1.786763|1.366134|1.719945|3.652867|5.734718|4.588104|2.752565|0.081096|0.087711|0.080452|0.302110|0.500000| |2.929361|3.718611|3.831279|5.054590|0.124471|9.532124|8.886880|17.574828|8.829708|44.440866|6.266592|6.181806|0.111946|5.215184|5.089267|4.353358|3.903664|3.942060|4.491988|4.476751|2.718559|4.572045|3.284488|2.063794|1.908583|1.683734|1.596472|1.684400|1.909458|1.427235|1.792443|3.009719|4.653660|3.924063|2.373894|0.079909|0.076486|0.073192|0.214370|0.173270|0.500000| |2.530616|3.115616|3.266196|4.217625|0.114725|7.613099|8.949423|17.573034|8.963755|36.369042|4.841220|4.941334|0.091034|4.072721|3.693153|3.279459|3.154674|3.368825|3.842762|4.102358|2.507013|4.118400|3.146191|1.987645|1.881445|1.660599|1.553015|1.611565|1.810728|1.393102|1.753392|2.693854|4.262001|3.537878|2.196020|0.067715|0.068114|0.064136|0.218119|0.211690|0.302383|0.500000| |2.662391|3.163595|3.028647|3.520180|0.090251|6.524211|5.509018|8.799007|17.630529|57.553708|5.250708|5.458074|0.108479|3.298787|3.277413|2.889965|2.619084|2.622215|2.911205|3.153565|2.014439|3.434753|2.516908|1.636565|1.545934|1.394815|1.329259|1.385785|1.533630|1.210272|1.538457|2.460134|4.008156|3.107370|1.948134|0.073750|0.072866|0.065405|0.123804|0.140100|0.215380|0.209334|0.500000| |2.793470|3.362697|3.275316|3.837141|0.102688|7.386034|6.755376|8.808918|17.635321|56.744757|5.665837|5.672236|0.109353|3.337404|3.111949|2.679004|2.478136|2.580703|2.971723|3.141421|1.986978|3.340882|2.510563|1.626440|1.545446|1.391209|1.318167|1.367598|1.513253|1.199654|1.524739|2.666605|4.382884|3.319093|2.075894|0.074717|0.078394|0.068603|0.140314|0.201632|0.173098|0.217144|0.301391|0.500000| |4.646796|6.244640|6.393738|6.914371|0.139784|8.455816|4.628260|4.267120|3.745977|31.173126|6.143252|8.855787|0.150648|8.869306|17.725115|8.934426|5.633625|4.925958|5.636900|4.921396|3.071143|5.538472|3.475218|2.192059|1.937366|1.720363|1.685577|1.845587|2.122487|1.501876|1.881358|4.657061|6.676699|5.996820|3.366220|0.131644|0.105884|0.117776|0.127184|0.104949|0.137634|0.098260|0.095121|0.088883|0.500000| |2.998249|3.506067|3.706256|4.081746|0.096535|5.080497|3.332845|3.294547|2.852276|21.345400|3.554739|4.839094|0.090321|5.658313|8.938444|17.729109|8.975773|5.659856|4.982567|5.671859|3.769410|7.344867|4.053811|2.570584|2.205980|1.954885|1.944955|2.181469|2.549391|1.715769|2.133109|3.222974|4.849453|4.589952|2.829114|0.085944|0.072158|0.080754|0.097683|0.078286|0.108540|0.082143|0.076456|0.069200|0.216070|0.500000| |2.378026|2.754885|3.076039|3.539711|0.091177|4.283194|3.048994|2.948096|2.467603|17.268610|2.822074|3.696272|0.068545|4.940193|5.636872|8.932980|17.823036|8.907348|5.649258|9.591309|6.839469|14.638201|6.339437|3.794960|3.055406|2.602656|2.574302|2.973154|3.710888|2.182749|2.646725|2.863006|4.330489|4.364795|2.810600|0.065623|0.059060|0.065637|0.095298|0.073279|0.093563|0.077802|0.065859|0.061751|0.124308|0.216795|0.500000| |2.979685|3.770101|4.938787|7.054649|0.231667|7.056780|5.225802|4.015199|3.147086|21.474301|3.893919|4.788204|0.082713|8.912389|5.647253|4.978631|5.646911|8.913243|17.676799|9.986229|4.888947|7.347534|5.634170|3.185125|2.801039|2.339555|2.182856|2.351599|2.821911|1.875051|2.296697|4.647319|6.508936|7.564544|4.329578|0.075713|0.075489|0.082083|0.193050|0.127342|0.113280|0.105163|0.077236|0.081918|0.123890|0.107976|0.124165|0.500000| |2.243416|2.651159|3.162128|3.897197|0.115924|4.537976|3.523519|3.103109|2.502698|16.628483|2.760625|3.466598|0.062807|4.890660|4.072118|4.302075|5.770781|9.351835|7.581634|26.065132|9.343172|10.892290|10.792523|5.008524|4.178764|3.219812|2.901324|3.143024|4.012308|2.379835|2.837313|3.097498|4.668037|4.981761|3.272653|0.058891|0.057540|0.062412|0.121336|0.088586|0.090031|0.086119|0.064286|0.065524|0.092237|0.098465|0.144247|0.231411|0.500000| |1.806221|2.053361|2.349345|2.717601|0.079465|3.322581|2.581764|2.393241|2.011672|13.344985|2.120464|2.707060|0.050347|3.196970|2.898239|3.159321|4.051321|5.031147|4.147302|10.866664|9.415568|10.870422|26.070690|9.369991|7.713202|4.954829|4.097882|4.305340|5.755617|3.141005|3.607605|2.347166|3.688235|3.681155|2.576004|0.048035|0.046913|0.050537|0.083830|0.066924|0.069128|0.067867|0.052937|0.053342|0.069195|0.077710|0.114914|0.120642|0.249257|0.500000| |1.492708|1.656695|1.847394|2.068784|0.060188|2.603921|2.024417|1.922319|1.667107|11.057365|1.707721|2.198287|0.041574|2.326089|2.170059|2.338600|2.808679|3.179437|2.792317|5.642304|4.851438|7.161597|10.024785|8.881198|17.702622|8.971272|5.657243|4.967701|5.630073|4.162244|4.624669|1.859148|3.005658|2.842024|2.047083|0.039954|0.039249|0.041814|0.063471|0.053652|0.054932|0.055108|0.044472|0.044762|0.053709|0.059871|0.081459|0.080787|0.122251|0.236784|0.500000| |1.278619|1.390019|1.522190|1.656604|0.047622|2.105127|1.610900|1.549091|1.378800|9.270162|1.411952|1.843584|0.035310|1.829028|1.749214|1.883163|2.181414|2.345772|2.101017|3.839803|3.290678|5.417392|5.744817|5.638438|8.947300|17.741791|8.902944|5.646227|4.938792|7.128991|7.460723|1.543894|2.541615|2.328845|1.711072|0.034472|0.033777|0.035972|0.049204|0.043027|0.044236|0.044133|0.037134|0.037160|0.044258|0.049523|0.064076|0.059759|0.079835|0.117201|0.216677|0.500000| |1.395427|1.497079|1.631764|1.729574|0.048385|2.150310|1.581738|1.518220|1.361523|9.459174|1.462324|1.957881|0.037631|1.962321|1.952174|2.181422|2.537122|2.565685|2.212198|4.021737|3.752366|7.246416|5.653765|5.661473|4.970577|5.650317|8.924314|17.739445|8.962237|7.141711|7.463334|1.673238|2.743219|2.558447|1.902836|0.038041|0.036272|0.039760|0.047822|0.041503|0.044242|0.042051|0.036729|0.036126|0.049448|0.058776|0.077991|0.060188|0.077126|0.098354|0.107803|0.124176|0.500000| |1.688981|1.847641|2.054150|2.215965|0.061729|2.690190|1.966512|1.863362|1.636249|11.380229|1.798855|2.400156|0.045518|2.620052|2.599751|3.001028|3.725647|3.800498|3.068748|6.260794|6.848723|14.912286|9.511168|8.893162|5.636361|4.945990|5.641882|8.951096|17.834452|4.156298|4.618921|2.099246|3.356724|3.293633|2.402917|0.045848|0.043332|0.048139|0.060548|0.050756|0.054917|0.051176|0.043765|0.042972|0.063874|0.078892|0.118151|0.081796|0.112924|0.143188|0.123826|0.107438|0.216622|0.500000| |4.134383|5.087582|7.416988|7.007546|0.189836|6.165459|3.753094|3.037792|2.647585|20.252030|3.838910|5.468511|0.094138|7.549493|5.891956|4.850847|4.690622|5.424659|7.071216|5.943653|3.657794|6.286693|4.204335|2.597466|2.263719|1.982207|1.932452|2.128310|2.490476|1.698638|2.108472|9.425937|10.951749|26.071361|9.057276|0.101217|0.098262|0.123879|0.113798|0.095146|0.086648|0.076245|0.065852|0.068944|0.142138|0.111013|0.106959|0.186237|0.118362|0.083707|0.062612|0.050561|0.056450|0.075018|0.500000| |3.079774|3.377232|4.239660|3.983508|0.118563|4.141421|2.733813|2.296744|2.057600|15.368031|2.691034|3.803887|0.069029|4.042575|3.475004|3.208613|3.323471|3.822586|4.306602|4.903457|3.288368|5.622967|4.047476|2.601268|2.296806|2.041352|2.002667|2.195482|2.524975|1.771125|2.203457|5.772244|8.959850|12.536449|17.623446|0.076406|0.077634|0.095323|0.082272|0.073028|0.064240|0.059861|0.052069|0.055097|0.088016|0.078480|0.082596|0.127030|0.101674|0.080411|0.063023|0.052180|0.058455|0.075145|0.228477|0.500000| |3.687547|3.785036|4.549700|3.806412|0.106858|4.034670|2.561908|2.184084|2.012400|15.593785|2.739905|4.070668|0.074854|3.708397|3.380004|3.053761|2.979683|3.205418|3.593504|3.958413|2.691508|4.765349|3.292806|2.166799|1.931649|1.750464|1.739416|1.905389|2.147709|1.565126|1.969664|6.776358|11.647385|12.278405|17.583482|0.090406|0.091214|0.122166|0.074303|0.068483|0.061258|0.056091|0.051099|0.053746|0.090164|0.076991|0.074471|0.100425|0.080014|0.065101|0.052793|0.045063|0.051605|0.064328|0.199116|0.299784|0.500000| 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