Version2.1 2021-01-07T04:17:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)Cl)[C@@H]3NC(=[NH2+])Nc4n3c5cc6c(cc5n4)OCCCO6 C19354106 RHF 6-31G(d) (6D,7F) Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)Cl)[C@@H]3NC(=[NH2+])Nc4n3c5cc6c(cc5n4)OCCCO6 C01[X(C20H23Cl1N7O4S1)] 162 C1 549 Cc1nn(c(c1[C@@H]1NC(=[NH2+])Nc2n1c1cc3OCCCOc3cc1n2)Cl)[C@@H]1CCS(=O)(=O)C1 Cc1nn(c(c1[C@@H]1NC(=[NH2+])Nc2n1c1cc3OCCCOc3cc1n2)Cl)[C@@H]1CCS(=O)(=O)C1 Cc1nn([C@@H]2CC[S](=O)(=O)C2)c(Cl)c1[C@@H]3NC(=[NH2+])Nc4nc5cc6OCCCOc6cc5n34 InChIKey=SIISUQOLXXPHSY-ADLMAVQZSA-O InChI=1S/C20H22ClN7O4S/c1-10-16(17(21)28(26-10)11-3-6-33(29,30)9-11)18-24-19(22)25-20-23-12-7-14-15(8-13(12)27(18)20)32-5-2-4-31-14/h7-8,11,18H,2-6,9H2,1H3,(H3,22,23,24,25)/p+1/t11-,18-/m1/s1 InChI=1/C20H22ClN7O4S/c1-10-16(17(21)28(26-10)11-3-6-33(29,30)9-11)18-24-19(22)25-20-23-12-7-14-15(8-13(12)27(18)20)32-5-2-4-31-14/h7-8,11,18H,2-6,9H2,1H3,(H3,22,23,24,25)/p+1/t11-,18-/m1/s1/fC20H23ClN7O4S/h24-25H,22H2/q+1 Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)Cl)[C@@H]3NC(=[NH2+])Nc4n3c5cc6c(cc5n4)OCCCO6 C01[X(C20H23Cl1N7O4S1)] 162 C01 549 Cc1nn(c(c1[C@@H]1NC(=[NH2+])Nc2n1c1cc3OCCCOc3cc1n2)Cl)[C@@H]1CCS(=O)(=O)C1 [NH2][C]1[NH]C2=N[C]3[C]([CH][C]4[C]([CH]3)OCCCO4)N2[C@@H]([NH]1)[C]1[C]([N][N@@]([C]1Cl)[C@@H]1CC[S@@](=O)([O])C1)C C[C]1[N]N([C](Cl)[C]1[C@@H]2N[C](N)NC3=N[C]4[CH][C]5OCCCO[C]5[CH][C]4N23)[C@@H]6CC[S]([O])(=O)C6 InChIKey=QOBGDLLOGCNMFH-ADLMAVQZSA-N InChI=1S/C20H23ClN7O4S/c1-10-16(17(21)28(26-10)11-3-6-33(29,30)9-11)18-24-19(22)25-20-23-12-7-14-15(8-13(12)27(18)20)32-5-2-4-31-14/h7-8,11,18H,2-6,9H2,1H3,(H4,22,23,24,25)/t11-,18-/m1/s1 InChI=1/C20H23ClN7O4S/c1-10-16(17(21)28(26-10)11-3-6-33(29,30)9-11)18-24-19(22)25-20-23-12-7-14-15(8-13(12)27(18)20)32-5-2-4-31-14/h7-8,11,18H,2-6,9H2,1H3,(H4,22,23,24,25)/t11-,18-/m1/s1/f/h24-25H,22H2 3953.0695780206 -2308.0497759 1-A 17693.3924 128 421 549 |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|A|A|A|A|A|A|A| -104.97771 -92.25563 -20.66234 -20.65611 -20.62454 -20.62144 -15.80321 -15.79653 -15.79566 -15.78495 -15.75759 -15.71118 -15.67838 -11.59964 -11.50026 -11.49011 -11.47476 -11.40846 -11.39719 -11.38728 -11.38556 -11.38019 -11.36911 -11.36491 -11.36146 -11.35687 -11.35637 -11.35121 -11.34968 -11.34032 -11.33719 -11.32666 -11.29837 -10.71095 -9.23365 -8.18043 -8.17679 -8.17671 -6.91948 -6.91858 -6.91837 -1.57689 -1.53793 -1.53494 -1.50492 -1.49603 -1.47554 -1.43377 -1.41852 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2.2259 2.6353 2.8753 1.9174 2.3246 7.4828 2.4910 2.2630 3.0369 4.3730 2.8423 2.0083 4.2302 1.3283 1.2630 1.6623 1.4533 2.3797 2.3705 1.3451 1.5231 1.2084 1.7745 3.9496 1.7295 1.9245 2.6704 1.4725 4.4928 1.4040 1.7908 1.5688 1.3055 1.3715 1.6925 1.6235 2.1421 1.1026 1.6393 1.1233 1.1988 1.0842 3.5948 1.8823 1.8524 1.3376 1.9815 2.1220 1.4474 6.9670 6.0314 9.6453 2.1083 3.7262 2.2523 5.1179 1.0707 1.0690 1.0400 1.0681 1.0869 1.0615 1.1028 1.0999 1.0593 1.0605 1.1051 1.0975 1.0992 1.1008 1.0936 1.1095 1.1087 1.0945 1.0934 1.0498 1.0793 1.0804 1.1081 0.0007 0.0010 0.0015 0.0053 0.0065 0.0059 0.0121 0.0147 0.0252 0.0244 0.0223 0.0130 0.0595 0.0659 0.0743 0.1534 0.1130 0.1338 0.1041 0.1488 0.1982 0.2225 0.2394 0.2691 0.2494 0.3341 0.1002 0.1029 0.2565 0.2767 0.4129 0.5484 0.4861 0.5757 0.6558 0.6249 0.5516 0.5395 0.8295 0.7921 0.5747 0.7099 0.5143 0.3214 0.5647 0.6440 0.2559 2.0880 1.2927 1.2212 1.5907 1.6699 2.8275 3.3765 2.9970 1.4212 2.2540 3.0333 2.5049 2.3559 1.6954 2.1400 1.1157 0.7979 1.7345 1.7236 2.8875 0.7789 2.1799 0.8564 1.4357 0.9473 1.2306 1.7662 1.5978 1.8021 2.0295 1.8018 1.1982 1.1787 3.7052 1.2693 2.0564 1.8206 2.1695 2.3731 1.6637 2.0620 6.7366 2.2738 2.1545 2.9931 4.3776 2.8662 2.0443 4.4034 1.4270 1.3902 1.8364 1.6267 2.7937 2.7999 1.6126 1.8588 1.4904 2.2038 4.9686 2.1893 2.4682 3.5008 1.9470 5.9624 1.9295 2.5083 2.2482 1.8856 1.9864 2.4731 2.4666 3.2550 1.6812 2.5078 1.7196 1.8627 1.6914 5.6203 2.9928 2.9589 2.1592 3.2075 3.4505 2.3787 12.5802 11.0594 17.8192 4.0317 7.2936 4.5672 10.7026 6.4919 6.4948 6.3343 6.5236 6.7855 6.6524 6.9534 6.9376 6.7039 6.7382 7.1292 7.0816 7.1076 7.1669 7.1353 7.3253 7.3304 7.5247 7.5549 9.0078 9.3812 9.4626 10.1093 0.6987 2.8133 1.4459 2.1370 2.2458 6.1957 1.2102 4.4251 0.9282 2.1236 1.3154 0.7507 2.2761 2.6701 2.1040 0.4703 2.0356 3.7018 0.1258 0.4064 0.2265 15.7688 3.1763 3.7579 1.2828 3.7035 40.9936 142.7718 16.5694 12.8727 4.5516 9.0394 0.4463 10.4359 9.8378 5.7306 4.0052 3.3210 20.8134 28.9129 6.6069 6.9222 27.5093 10.4022 2.7419 36.9829 266.5008 40.7808 5.8507 3.7337 6.6414 19.4992 0.4326 6.5216 28.1707 12.1460 9.3852 1.9598 7.9978 48.2729 1.5429 11.0587 1.0733 6.6977 13.0037 16.9583 5.8778 12.5626 61.1650 10.5506 14.7123 24.4304 35.2485 25.0211 19.8256 3.3372 8.6342 17.1667 35.0178 2.3053 18.4590 0.6204 12.3230 5.0419 1.2424 155.5179 68.4736 28.8521 14.3811 184.2422 33.4056 8.6053 37.3056 38.8521 66.0571 76.7325 22.2245 1.7301 11.6203 2.7453 72.8342 163.8553 14.2769 15.4594 1.1787 93.1108 146.4972 109.0777 128.2312 81.8292 10.8415 110.2126 1.6351 19.2157 2.3573 13.6457 97.3706 38.1027 22.5588 142.3453 9.3744 35.2743 24.6009 89.3712 3.0624 61.9173 90.4214 178.3561 22.6517 144.4062 2.2861 124.2210 205.9110 364.1033 56.5002 173.9893 10.6252 530.5242 839.8972 21.4447 30.8521 16.0649 45.2435 20.8118 13.5769 15.6901 31.0738 0.2407 1.4919 3.4901 34.4177 52.9367 3.7934 3.1700 0.1883 0.1449 0.1878 1.5764 220.7170 255.8552 104.6935 138.9331 1.4480 1.2150 3.4066 1.1601 0.9700 0.7145 0.3367 0.9597 0.6482 0.3743 1.6348 0.2592 1.0664 0.8191 1.0579 2.5028 0.8228 0.9577 0.2648 0.5367 3.7647 1.0488 1.0278 1.0553 1.4636 1.5582 0.3015 0.1228 0.4755 0.3828 3.0514 1.8045 1.4203 1.5258 3.7672 2.5913 0.3010 1.3983 1.6039 3.4720 2.5466 5.8346 1.3497 1.0056 0.4070 1.9946 1.5469 2.8025 2.9477 3.6204 2.3463 3.0023 2.0798 3.7662 3.0995 23.2752 24.6117 1.1078 4.8987 4.7806 2.4388 1.6959 6.8580 5.9566 3.1253 5.0946 15.8253 1.4478 6.1917 0.1711 3.8748 1.3879 4.7248 2.2904 3.0781 8.3673 1.5983 5.5528 2.7052 1.1528 5.8348 2.0543 8.5016 7.6210 4.7820 10.4797 6.3195 8.9904 9.1100 6.7653 1.2119 4.0338 24.3043 6.2766 10.8919 19.6060 5.5420 3.9586 7.8382 4.6606 8.0003 6.4172 6.5534 2.6519 7.7894 7.2094 0.8581 4.7371 5.7413 38.9881 17.6719 157.1094 2.0004 11.6133 1.4799 8.4427 16.1048 30.0700 21.1442 34.7946 13.2241 5.7123 15.5185 18.0188 16.4038 19.2756 5.2299 1.9510 15.3305 2.3222 19.4188 7.6099 2.8079 38.1414 66.2749 60.2106 71.0794 10.4198 133.8822 18.5715 46.8845 119.0424 193.7355 73.6577 45.3434 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0.6992 0.8406 0.8331 0.7831 0.7502 0.6332 0.3615 0.4818 0.5591 0.6484 0.6118 0.8497 0.5118 0.7630 0.3284 0.5301 0.8390 0.8523 0.8123 0.8570 0.8496 0.4774 0.7112 0.6411 0.8518 0.4017 0.4727 0.8395 0.7003 0.5330 0.7098 0.3839 0.5024 0.7253 0.4535 0.7389 0.7958 0.0617 0.1634 0.2557 0.4118 0.8545 0.8355 0.2103 0.1532 0.8289 0.7655 0.3705 0.7808 0.4826 0.8088 0.8424 0.4803 0.4417 0.3472 0.3614 0.2625 0.8571 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 6 7 7 6 1 6 6 16 8 8 6 17 6 1 7 6 7 1 1 7 6 7 6 6 6 6 6 6 7 8 6 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 12.00000 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 34.96885 12.00000 1.00783 14.00307 12.00000 14.00307 1.00783 1.00783 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 12.00000 12.00000 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13646.9882 21086.0776 30252.7915 0.99966 -0.02535 -0.00593 0.02539 0.99966 0.00669 0.00576 -0.00684 0.99996 1 0.00635 0.00411 0.00286 0.13224 0.08559 0.05966 17.75 23.51 31.62 51.64 68.12 79.61 87.30 99.51 122.87 137.66 169.01 192.81 212.05 229.28 240.94 268.42 276.32 279.98 310.31 349.17 402.47 413.82 454.57 460.14 471.74 516.05 518.86 528.83 535.90 549.09 563.57 593.56 598.18 631.27 639.32 651.45 686.71 694.53 705.83 742.96 757.03 775.38 835.47 846.23 856.99 872.57 891.98 903.04 912.43 966.93 1038.13 1047.78 1074.98 1097.23 1133.05 1143.38 1147.66 1160.04 1165.98 1172.10 1178.59 1203.49 1249.70 1250.57 1309.70 1331.67 1344.17 1394.21 1413.05 1443.80 1446.78 1457.41 1469.02 1480.62 1508.36 1530.31 1535.26 1583.94 1586.62 1627.25 1658.95 1686.94 1687.73 1695.23 1700.74 1702.86 1746.00 1765.37 1778.51 1790.83 1828.91 1860.85 1875.41 1882.29 1891.15 1912.43 1942.85 1966.58 1970.12 1983.10 2030.94 2037.13 2052.36 2070.70 2081.73 2088.87 2102.38 2108.91 2122.77 2146.16 2155.40 2159.33 2197.37 2218.40 2243.84 2252.76 2255.82 2265.77 2310.44 2310.60 2314.54 2318.41 2319.24 2336.44 2341.21 2343.74 2363.55 2369.02 2381.50 2384.79 2390.23 2402.95 2518.78 2538.18 2547.73 2592.10 2622.45 2669.16 2710.63 4615.43 4620.21 4625.88 4632.47 4683.50 4692.47 4706.64 4707.60 4715.41 4724.73 4760.89 4761.48 4766.45 4782.72 4787.88 4816.26 4819.81 4914.80 4927.04 5490.70 5526.30 5547.41 5661.70 0.476669 0.504012 0.504956 0.415441 -2307.573106 -2307.545764 -2307.544820 -2307.634335 3.002348D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)Cl)[C@@H]3NC(=[NH2+])Nc4n3c5cc6c(cc5n4)OCCCO6 C19354106 RHF 6-31G(d) (6D,10F) C1 492.122077 |X|Y|Z| 79.161004 100.187661 37.270740 66.613847 28 6 7 8 16 19 6 2 1 |36.858105| |12.698386|36.858105| |7.233093|13.411959|36.858105| |5.189148|8.671351|13.870696|36.858105| |5.353018|8.972843|8.710022|14.321526|53.358707| |7.817755|14.669668|8.531794|8.661294|19.344696|53.358707| |3.939657|5.445603|5.264733|7.550956|17.799712|10.735873|36.858105| |3.398026|4.569562|4.844306|7.263300|12.646005|7.912492|17.663339|0.500000| |3.594645|4.573386|4.187832|5.251785|10.413335|8.692091|12.368042|0.244713|36.858105| |2.876811|3.437589|3.200678|3.855503|6.837050|6.050635|7.637436|0.184846|12.340055|36.858105| |2.773970|3.313476|3.132991|3.793094|6.573921|5.732625|7.358314|0.186127|7.084751|10.582787|388.023441| |2.560992|2.920210|2.697663|3.097090|5.194569|4.907472|5.029051|0.125599|5.100554|7.108569|94.702702|73.516695| |2.454978|2.936261|2.920905|3.598199|5.782403|4.830847|6.144634|0.187727|5.519404|7.256041|94.264692|13.580006|73.516695| |3.605138|4.604226|4.264551|5.380408|10.471768|8.621598|12.459518|0.247437|7.751884|7.171277|75.862697|12.733091|13.047437|36.858105| |3.578068|4.904558|6.840548|11.147619|9.682043|6.758760|5.936485|0.198201|4.365515|3.494212|24.997693|5.043333|6.479206|4.489792|448.794386| |5.836976|7.298520|12.763481|7.362053|7.110438|7.060153|3.780295|0.101662|3.180616|2.572723|18.062058|3.985524|4.324140|3.245542|45.093809|36.858105| |6.785058|7.059102|9.053560|5.574097|6.085627|6.567268|3.337561|0.087843|2.905678|2.383666|16.687256|3.761275|3.942601|2.957956|34.479250|17.589577|0.500000| |4.477101|5.318087|7.816256|6.017916|6.025043|5.745800|3.408004|0.094572|2.999751|2.436682|16.613435|3.649622|4.045335|2.849889|43.446884|12.848285|0.254001|53.358707| |3.467591|3.913933|5.222484|4.510644|4.752002|4.481751|2.860207|0.081223|2.549219|2.140214|14.740513|3.266007|3.656802|2.455787|36.996712|7.628324|0.175961|19.650889|36.858105| |2.960819|3.262946|4.057722|3.697534|4.101050|3.877644|2.561267|0.073179|2.358689|2.003455|13.578089|3.020563|3.386443|2.198102|31.102701|5.151281|0.128230|11.270849|14.394926|53.358707| |2.990641|3.276567|3.957739|3.628119|4.118123|3.927155|2.582167|0.073277|2.432349|2.051728|13.646402|3.034513|3.381839|2.191225|29.706304|4.742858|0.120710|10.195473|9.380066|26.027353|0.500000| |2.581744|2.811607|3.414357|3.189564|3.608665|3.404391|2.308600|0.066455|2.133031|1.844756|12.599386|2.818544|3.170278|2.012108|27.604132|4.213632|0.106855|8.089142|9.386185|26.014131|0.311376|0.500000| |3.162347|3.514510|4.600733|4.048483|4.319659|4.071149|2.649063|0.075655|2.323140|1.992658|14.085615|3.146062|3.524519|2.347290|34.312250|6.719693|0.159726|11.382352|14.367229|11.296184|0.165104|0.209345|53.358707| |3.424860|3.854874|5.150061|4.453126|4.684740|4.416108|2.834319|0.080448|2.411088|2.073803|15.032830|3.363164|3.751230|2.566410|36.808166|7.720300|0.178444|9.626398|8.029734|7.245689|0.120314|0.135409|18.592594|36.858105| |4.384400|5.214999|7.709838|6.023700|5.988119|5.672203|3.414053|0.094866|2.814422|2.364546|17.215630|3.819562|4.221140|3.063881|44.255351|13.183067|0.254912|11.054985|6.977804|6.402943|0.113703|0.114041|10.967058|14.009653|53.358707| |4.078631|4.674242|5.996612|5.101448|5.525003|5.320972|3.270970|0.090178|2.660474|2.295181|17.325575|3.903053|4.245719|3.112706|37.582354|7.397249|0.180427|6.957826|4.645407|4.787155|0.087391|0.089176|7.398277|8.743754|18.444615|36.858105| |4.375901|4.960047|5.665762|4.974373|5.844694|5.823696|3.492199|0.093497|2.794502|2.434432|18.916662|4.318780|4.545438|3.508022|34.219333|5.792546|0.151346|5.564834|3.608630|3.930507|0.074180|0.073515|5.359736|5.363449|10.124719|13.753915|36.858105| |3.461643|3.728807|4.027495|3.746047|4.640822|4.624273|2.961501|0.080105|2.428641|2.191147|17.380556|4.065834|4.220917|3.100362|27.480732|4.113546|0.110905|4.346646|2.949672|3.334280|0.063112|0.063817|4.445158|4.269953|6.937964|8.058469|13.785499|36.858105| |2.855636|3.038987|3.354260|3.161918|3.865806|3.786764|2.523925|0.069811|2.115300|1.931887|15.168993|3.555701|3.761928|2.597507|24.640117|3.599206|0.096878|4.012988|2.850199|3.256175|0.060857|0.063566|4.462184|4.306262|6.293613|6.934159|7.836365|13.513602|36.858105| |2.766725|2.969668|3.418091|3.195821|3.772840|3.640286|2.440013|0.068502|2.058342|1.862899|14.332977|3.317418|3.592514|2.427576|25.831825|3.894473|0.103093|4.446639|3.279637|3.691766|0.067508|0.072805|5.427527|5.524120|7.323596|7.907308|6.742136|7.865434|13.820827|36.858105| |3.183561|3.502102|4.281704|3.872623|4.347170|4.154473|2.713876|0.076351|2.268177|2.005616|15.155721|3.449815|3.784558|2.609820|31.244146|5.272173|0.134312|5.815452|4.298680|4.576307|0.081894|0.088676|7.501624|9.113666|11.706644|13.714758|7.851928|6.909881|8.018857|13.738271|36.858105| |2.956549|3.244589|4.056424|3.671435|4.052495|3.838119|2.539421|0.072331|2.166301|1.907487|14.086776|3.188800|3.544014|2.373642|30.955537|5.332975|0.133573|6.555514|5.374541|5.584221|0.095642|0.110481|11.015413|15.088713|11.588353|8.328890|5.288495|4.605179|5.125993|7.583084|13.650895|53.358707| |2.438968|2.545155|2.727592|2.613140|3.287552|3.240678|2.207714|0.061086|1.886515|1.756785|13.870862|3.308164|3.452073|2.309699|20.555526|2.872073|0.078384|3.321927|2.384699|2.802539|0.052866|0.055322|3.675953|3.350893|4.745310|4.650039|5.197063|7.920510|14.098567|8.136640|5.290938|5.350572|73.516695| |2.240047|2.366084|2.504634|2.476312|3.181688|3.101153|2.196977|0.061120|1.875236|1.777652|14.330129|3.446757|3.600294|2.352916|19.744612|2.546968|0.068638|2.991167|2.136308|2.547239|0.048486|0.050363|3.226680|2.859550|4.087556|3.831975|4.378368|6.263718|8.011522|5.567607|4.130042|4.417390|23.926848|36.858105| |2.339193|2.449947|2.510673|2.488131|3.293977|3.263156|2.296444|0.062806|1.962226|1.876326|15.378817|3.769168|3.798328|2.538318|19.235225|2.473090|0.067267|2.874650|2.011060|2.406924|0.046362|0.047170|2.963134|2.588341|3.825641|3.530128|4.307662|6.104642|6.109628|4.312414|3.523621|3.832619|13.910541|12.544272|36.858105| |2.786186|2.972843|3.010492|2.999185|4.021579|3.997420|2.777570|0.074846|2.312340|2.188653|18.260424|4.446253|4.433878|3.148706|22.468993|2.868004|0.077408|3.240002|2.211791|2.614835|0.050556|0.050589|3.215102|2.840466|4.394116|4.139365|5.564554|8.005598|6.272606|4.388776|3.825891|4.079766|11.211999|7.504747|12.545933|36.858105| |3.334196|3.497683|3.536609|3.355235|4.405627|4.503997|2.897528|0.076922|2.404497|2.211166|17.895741|4.298331|4.273488|3.178518|24.130194|3.428946|0.094325|3.719939|2.504381|2.904663|0.055921|0.055672|3.658165|3.318017|5.311217|5.311943|8.162118|14.104378|7.909042|5.204116|4.639300|4.729603|12.031067|6.287185|7.799205|13.435608|73.516695| |17.554369|8.859880|6.383305|4.613861|6.210371|8.207342|3.470121|0.085373|3.280102|2.640080|17.691579|4.082231|3.975709|3.104090|26.866780|5.766397|0.196740|6.499387|3.674784|4.339321|0.091085|0.076354|4.427594|3.387085|5.688678|3.715845|3.766456|3.043132|2.603710|2.585541|2.998021|3.925219|3.986463|2.049620|2.107839|2.447187|5.130949|0.500000| |17.624922|8.992607|5.483863|4.452454|6.766937|10.268655|3.893148|0.091226|3.702237|3.003243|20.424453|4.816052|4.408843|3.681825|25.560129|4.431178|0.136088|4.934512|2.921128|3.495779|0.072648|0.063156|3.658907|2.884453|4.845419|3.420522|3.762352|3.121607|2.587630|2.467871|2.757743|3.477843|4.020188|2.113268|2.245004|2.673938|5.557113|0.301443|0.500000| |17.560342|8.871913|6.386283|4.624104|6.227285|8.237199|3.491964|0.085655|3.115352|2.583433|18.311634|4.283421|4.105919|3.329950|26.909858|5.781206|0.198349|5.766524|3.391003|3.885027|0.078396|0.069993|4.375472|3.599802|6.316411|4.553090|5.059570|3.976331|3.213541|3.067277|3.506613|4.309949|4.834331|2.451093|2.567604|3.070493|6.803063|0.301309|0.301416|0.500000| |4.072333|5.040265|4.255566|4.948828|9.900883|10.036157|8.881488|0.174870|17.620186|8.799619|41.469953|8.457348|7.886969|6.764032|31.029954|3.211179|0.083571|4.064964|2.508964|3.153738|0.066729|0.057938|3.100079|2.365058|3.784331|2.632256|2.793853|2.420851|2.091418|2.023628|2.228225|2.886140|3.319864|1.842991|1.943324|2.295127|4.302374|0.102331|0.121336|0.095322|0.500000| |3.375240|4.252633|4.075467|5.098762|9.035727|7.451239|8.747715|0.217864|17.601405|8.725898|38.163562|7.237123|8.399975|5.597022|35.900968|3.170813|0.079840|4.242847|2.659128|3.408604|0.072730|0.062714|3.239434|2.415733|3.779395|2.559911|2.613075|2.266212|2.006715|1.985207|2.207021|2.926988|3.180158|1.766875|1.822913|2.114935|3.925357|0.088537|0.094504|0.081016|0.302134|0.500000| |2.772867|3.188322|2.891537|3.331457|5.785839|5.520808|5.715906|0.136683|8.670859|17.639629|57.094094|12.612486|9.895136|5.780786|23.867772|2.361778|0.061898|3.043315|1.971385|2.525984|0.052985|0.047586|2.501458|1.907457|2.944579|2.110061|2.249143|2.044016|1.805331|1.733503|1.853468|2.398821|2.943126|1.674320|1.779471|2.063006|3.708526|0.070997|0.082306|0.069162|0.225895|0.187088|0.500000| |2.545783|3.013599|2.902761|3.500720|5.831890|5.063212|6.132332|0.169314|8.642549|17.628378|57.734359|10.283392|12.990726|5.527674|27.017655|2.393774|0.061313|3.154371|2.067286|2.667516|0.055854|0.050469|2.619849|1.982231|3.025231|2.143731|2.236290|2.027592|1.816488|1.768608|1.901734|2.489382|2.950088|1.682910|1.757700|2.020140|3.604533|0.066051|0.072712|0.064085|0.175979|0.221563|0.300090|0.500000| |3.386137|4.277555|4.167666|5.238220|8.984565|7.342978|8.644351|0.216053|5.557316|5.304232|57.258584|10.803062|12.443713|17.624007|37.257808|3.263931|0.081952|3.845909|2.468985|2.978250|0.059762|0.056019|3.281805|2.690691|4.372714|3.375188|3.889237|3.495444|2.900867|2.671308|2.835932|3.441853|4.570841|2.660722|2.885897|3.665621|6.400210|0.081009|0.093798|0.089898|0.137459|0.123866|0.123433|0.124828|0.500000| |3.993151|4.924042|4.215694|4.909504|9.577615|9.537147|8.772624|0.173885|6.857093|6.251762|57.117429|12.335320|9.704454|17.616440|31.108917|3.207379|0.083467|3.769294|2.370199|2.884145|0.058864|0.053763|3.081759|2.480825|4.056607|3.056268|3.527972|3.127213|2.578950|2.379316|2.543682|3.126564|4.095583|2.331698|2.561303|3.208226|5.855025|0.093061|0.117949|0.102046|0.195065|0.138694|0.156978|0.131695|0.297759|0.500000| |4.565561|5.464696|7.453522|6.028331|6.291860|6.037818|3.560177|0.097952|3.235164|2.576784|17.062562|3.730188|4.122156|2.895912|42.035494|9.012368|0.203988|26.001750|9.535423|10.399480|0.226831|0.152106|8.171010|5.174317|8.029186|4.176564|3.564047|2.844695|2.606595|2.818719|3.528200|5.246131|3.911747|2.012361|1.959433|2.211755|4.454262|0.139665|0.104289|0.114054|0.090031|0.095583|0.065755|0.068165|0.077943|0.078266|0.500000| |2.725784|2.968020|3.709044|3.373372|3.726467|3.521747|2.350874|0.067489|2.089165|1.821537|12.902656|2.902391|3.251842|2.110057|29.211206|4.977465|0.124886|8.113293|9.345399|10.225445|0.150145|0.223769|25.960493|9.303681|7.981928|4.509284|3.402651|2.946473|3.048487|3.752927|4.911267|10.110006|4.572107|2.262974|2.055864|2.187797|4.360372|0.078004|0.065673|0.077218|0.056781|0.059565|0.046874|0.049233|0.060331|0.056517|0.131687|0.500000| |5.391347|6.317914|6.646049|5.702609|7.032303|7.354641|4.037011|0.103924|3.174715|2.717521|21.138369|4.818144|4.934494|4.105211|35.352281|5.940404|0.157477|5.577212|3.462985|3.821054|0.073621|0.070586|4.884046|4.575736|8.800070|8.769577|17.780298|8.997213|5.617226|4.889237|5.578506|5.814675|7.493770|3.767370|3.937728|5.299102|13.377583|0.121092|0.128156|0.174557|0.089581|0.080820|0.069806|0.068042|0.124817|0.118099|0.102423|0.085778|0.500000| 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|2.002326|2.092325|2.203943|2.177819|2.810489|2.747692|1.956973|0.054569|1.697030|1.620654|12.962980|3.139911|3.268242|2.084750|17.494002|2.255935|0.061200|2.701136|1.950355|2.355462|0.044916|0.046929|2.943198|2.554432|3.571695|3.228856|3.550483|4.709521|5.931824|4.668225|3.539412|3.955186|16.999256|17.638918|8.867099|5.492981|8.453213|0.051457|0.052775|0.060522|0.046373|0.044664|0.042623|0.042871|0.064663|0.057434|0.050741|0.058102|0.086721|0.131753|0.301414|0.500000| |2.125915|2.236779|2.281877|2.301253|3.084350|3.031359|2.199304|0.060491|1.893802|1.840622|15.257259|3.778799|3.802588|2.459370|18.028217|2.223102|0.060144|2.628690|1.844787|2.232950|0.043212|0.043915|2.695748|2.312127|3.388570|3.024426|3.581446|4.664421|4.667000|3.584342|3.019719|3.393413|10.105473|8.932351|17.520583|8.944993|10.092506|0.053473|0.057279|0.063793|0.051826|0.048825|0.048582|0.048125|0.077900|0.068510|0.050223|0.052250|0.093425|0.093104|0.212097|0.215742|0.500000| 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