Version2.2 2021-02-22T15:49:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)N1CCc2c(sc(c2C(=O)N)Nc3nc4ccc(cc4s3)SC)C1 C10069024 RHF 6-31G(d) (6D,7F) CCOC(=O)N1CCc2c(sc(c2C(=O)N)Nc3nc4ccc(cc4s3)SC)C1 C01[X(C19H20N4O3S3)] 141 C1 487 CCOC(=O)N1CCc2c(C1)sc(c2C(=O)N)Nc1nc2c(s1)cc(cc2)SC CCOC(=O)N1CCc2c(C1)sc(c2C(=O)N)Nc1nc2c(s1)cc(cc2)SC CCOC(=O)N1CCc2c(C1)sc(Nc3sc4cc(SC)ccc4n3)c2C(N)=O InChIKey=MPPGZRKBLNPFLO-UHFFFAOYSA-N InChI=1S/C19H20N4O3S3/c1-3-26-19(25)23-7-6-11-14(9-23)28-17(15(11)16(20)24)22-18-21-12-5-4-10(27-2)8-13(12)29-18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,20,24)(H,21,22) InChI=1/C19H20N4O3S3/c1-3-26-19(25)23-7-6-11-14(9-23)28-17(15(11)16(20)24)22-18-21-12-5-4-10(27-2)8-13(12)29-18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,20,24)(H,21,22)/f/h22H,20H2 CCOC(=O)N1CCc2c(sc(c2C(=O)N)Nc3nc4ccc(cc4s3)SC)C1 C01[X(C19H20N4O3S3)] 141 C01 487 CCOC(=O)N1CCc2c(C1)sc(c2C(=O)N)Nc1nc2c(s1)cc(cc2)SC CCOC(=O)N1CC[C]2=C(C1)S[C]([C]2C(=O)N)NC1=N[C]2[C]([CH][C]([CH][CH]2)SC)S1 CCOC(=O)N1CCC2=C(C1)S[C](NC3=N[C]4[CH][CH][C]([CH][C]4S3)SC)[C]2C(N)=O InChIKey=MPPGZRKBLNPFLO-UHFFFAOYSA-N InChI=1S/C19H20N4O3S3/c1-3-26-19(25)23-7-6-11-14(9-23)28-17(15(11)16(20)24)22-18-21-12-5-4-10(27-2)8-13(12)29-18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,20,24)(H,21,22) InChI=1/C19H20N4O3S3/c1-3-26-19(25)23-7-6-11-14(9-23)28-17(15(11)16(20)24)22-18-21-12-5-4-10(27-2)8-13(12)29-18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,20,24)(H,21,22)/f/h22H,20H2 3094.4220307550 -2366.1107004 1-A 22930.1767 117 370 487 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.99429 -91.98271 -91.94322 -20.60045 -20.54696 -20.51994 -15.63887 -15.59963 -15.58681 -15.57349 -11.39230 -11.37698 -11.37116 -11.34134 -11.28800 -11.28428 -11.28271 -11.27853 -11.27090 -11.26139 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389.2063 392.9900 397.5362 420.4466 439.3541 442.4857 445.0785 478.4010 483.5352 539.1910 568.5052 579.8246 608.4360 635.5900 641.7794 646.4357 653.8692 675.5230 688.1474 711.4591 718.3946 737.9587 750.8896 773.4458 782.7837 817.7741 821.1589 836.6504 865.6757 881.3347 886.7569 914.7149 931.2289 945.6588 951.0091 975.8474 1017.3185 1027.0760 1057.9076 1072.2493 1076.3337 1096.0987 1098.1050 1102.8973 1113.5406 1142.1369 1168.0016 1178.6788 1211.8407 1216.2477 1236.6296 1243.6718 1246.4718 1276.8235 1285.6377 1299.2624 1322.1771 1338.8981 1352.2543 1382.8181 1389.3062 1392.2085 1404.9060 1424.4522 1434.1001 1445.4684 1513.7792 1514.4884 1518.0606 1532.7087 1546.4896 1559.0950 1572.5307 1580.1517 1614.1482 1614.7980 1618.2144 1629.7751 1630.4205 1631.3149 1631.7490 1643.5855 1650.9935 1662.4125 1676.2790 1741.2769 1747.6811 1770.1300 1798.7116 1805.2848 1811.7573 1949.1316 1979.4085 3174.3256 3194.7773 3210.9727 3214.3170 3228.7350 3265.2132 3282.0645 3283.3855 3306.3372 3316.2401 3319.8897 3321.1176 3322.0493 3359.0755 3384.4542 3393.8678 3402.4915 3777.0152 3830.4808 3887.2383 5.6901 5.7112 4.4708 7.2697 3.9530 3.7043 4.3004 5.9107 5.6967 4.9856 2.9054 5.3756 3.6680 4.7923 2.7605 4.1210 2.1583 2.7299 4.2656 5.9101 3.8437 6.3875 5.3834 1.2642 3.8227 4.2045 3.6439 4.4855 4.8724 5.7516 7.9480 5.6119 2.2670 7.1297 1.8819 3.9183 3.2321 6.3635 7.6328 5.0787 3.4888 7.6440 3.5364 3.1119 3.5981 2.7781 6.8080 3.8743 2.3312 5.6888 4.2574 5.7208 1.8825 7.8502 4.5856 6.2180 2.7632 4.2232 1.5503 3.5899 4.1680 1.4417 6.1873 2.2586 1.3714 4.3952 5.9138 2.7580 1.1809 1.3170 1.7549 1.3447 3.5277 2.8268 2.2680 2.2996 3.4419 2.3106 3.3366 2.2866 2.8768 2.6317 2.6696 1.5462 3.8628 1.3329 1.7705 2.1460 1.6310 2.6697 2.6668 1.0892 2.3068 2.0674 1.6159 1.1728 1.9423 1.2792 3.4801 1.8415 2.5552 1.5902 3.2978 1.0541 2.9530 1.2904 1.0414 1.1727 1.7780 1.0600 1.0939 1.1050 1.1234 5.7430 6.9683 2.2552 1.8086 2.5056 5.4042 11.4211 8.7785 1.0749 1.0763 1.0718 1.0361 1.0301 1.0656 1.1049 1.0960 1.0925 1.1056 1.1086 1.1105 1.0899 1.0925 1.0900 1.0934 1.0965 1.0489 1.0788 1.1007 0.0009 0.0010 0.0019 0.0050 0.0041 0.0045 0.0107 0.0204 0.0253 0.0302 0.0195 0.0501 0.0443 0.0636 0.0417 0.0643 0.0413 0.0556 0.1022 0.1548 0.1334 0.2615 0.2473 0.0597 0.1946 0.2687 0.2664 0.3388 0.4349 0.5234 0.7400 0.5845 0.2578 0.8225 0.2196 0.5284 0.4452 1.0900 1.4535 1.0060 0.7610 1.8194 0.8582 0.7662 0.9064 0.7469 1.8995 1.1554 0.7088 1.8253 1.4143 2.0164 0.6796 3.0931 1.8218 2.5644 1.2200 1.9327 0.7183 1.7697 2.1296 0.7596 3.2970 1.2672 0.8362 2.7317 3.8995 1.8682 0.8060 0.9322 1.2468 0.9637 2.5773 2.1726 1.8229 1.8824 2.9781 2.0138 3.0063 2.0838 2.6334 2.5279 2.5998 1.5378 3.9786 1.4078 1.9075 2.4177 1.8548 3.0488 3.1012 1.3021 2.7952 2.5450 2.1817 1.5849 2.6372 1.7706 4.9039 2.6373 3.7228 2.3394 5.0625 1.6195 4.5561 2.0194 1.6311 1.8387 2.7892 1.6870 1.7568 1.7992 1.8598 10.2594 12.5400 4.1633 3.4477 4.8112 10.4516 25.5647 20.2648 6.3816 6.4723 6.5108 6.3072 6.3271 6.6938 7.0122 6.9614 7.0368 7.1638 7.1988 7.2170 7.0868 7.2630 7.3562 7.4202 7.4791 8.8166 9.3258 9.7999 0.0467 1.0401 0.5330 0.4682 1.2483 1.4704 0.5620 2.6317 8.1496 2.0825 7.8524 0.6268 0.7508 0.8203 2.6475 0.6196 0.6052 1.4141 1.2204 1.2757 4.3438 3.2938 0.9269 2.4453 5.1995 7.9413 2.4487 1.0866 7.0528 7.1103 2.3289 7.9403 42.2430 2.9692 40.4347 10.7652 5.0800 1.0555 0.3260 0.8791 9.3703 2.4776 27.8653 52.9288 26.1424 14.7207 1.4179 33.0630 32.3706 3.6432 20.3612 2.3551 97.2996 2.4243 6.6603 32.9582 29.7062 18.1715 13.3978 50.7638 22.9269 37.9069 11.4541 8.4222 8.8517 3.1699 24.6436 7.0816 1.2309 9.0984 5.5523 23.1518 35.6236 23.7573 2.6973 9.0744 10.7148 41.0030 1.3555 14.6695 7.1381 84.7313 9.9002 5.3322 42.3135 100.1752 11.8129 33.5993 611.8955 145.8763 244.8948 2.1749 27.7740 318.7889 68.3677 17.1886 176.0643 43.9705 8.6580 139.5224 96.3136 141.9419 116.3204 9.6237 394.1745 8.3071 3.8911 16.6787 72.0650 7.2115 5.4333 4.6554 17.7337 769.9178 720.4521 363.1070 109.5891 113.5258 38.9963 598.0295 483.3474 43.8212 37.2770 50.1482 21.3256 42.0168 8.4907 13.9452 61.3846 7.3782 15.1982 13.1246 48.4045 8.9547 3.9332 4.4143 2.6195 6.5943 59.1815 144.3734 39.2579 1.5293 0.5257 0.8919 1.3064 3.4361 0.4907 0.4937 0.4187 2.1883 0.8380 0.4587 1.7884 0.6524 0.8615 0.2742 2.6872 0.4935 1.3002 0.6440 1.0238 1.1425 1.4019 2.2876 0.0135 0.2673 0.6751 1.2202 1.0359 3.2220 1.4806 4.3809 3.9683 4.5441 1.9420 5.9838 1.4906 0.0373 19.8117 9.1894 2.9586 8.3166 6.6730 2.3190 3.5425 7.4928 2.4701 1.8720 7.6092 5.9886 7.3268 1.9472 35.0842 6.7573 3.4260 2.8040 9.5549 0.0402 2.4483 0.4455 13.6809 0.4055 1.3584 13.4352 13.4075 1.3383 1.1254 13.3858 2.1650 5.2298 3.4919 0.7296 3.7089 8.2396 5.2406 2.0029 2.2874 10.2053 32.0041 14.3802 19.8370 6.4798 0.7763 85.7001 1.1796 22.8789 8.9571 3.5858 65.2780 6.3494 9.3503 20.0664 12.3905 122.6319 35.5970 8.6908 1.2954 15.7598 7.8050 12.5120 16.0845 30.1751 25.5580 201.9604 25.8652 25.1758 146.7538 22.3946 35.9383 225.5926 21.8531 12.4759 7.2057 4.4017 136.7916 901.5851 367.2206 40.5509 14.8444 16.0576 6.1314 51.7691 94.4429 125.1306 60.1216 114.4122 156.1129 99.8783 82.3935 90.6854 70.8865 179.3821 47.5890 24.3386 58.4854 90.6087 55.1072 51.5209 124.4329 105.5498 145.3392 72.6790 0.7489 0.7481 0.7283 0.7376 0.7318 0.7480 0.7444 0.7404 0.5760 0.7400 0.6177 0.4637 0.3615 0.6540 0.2391 0.7320 0.6283 0.2123 0.1316 0.7322 0.6468 0.4792 0.2556 0.7459 0.5897 0.6374 0.7448 0.6484 0.5413 0.2045 0.1685 0.2350 0.1694 0.4810 0.2541 0.3810 0.7494 0.2741 0.2437 0.6915 0.5581 0.3586 0.2943 0.3698 0.3692 0.6595 0.7437 0.0875 0.2344 0.0649 0.3667 0.3465 0.7216 0.4600 0.5959 0.3040 0.3939 0.5933 0.7438 0.1881 0.4538 0.7493 0.1387 0.2144 0.7175 0.6731 0.3978 0.5167 0.7487 0.7283 0.6743 0.6316 0.7302 0.4559 0.3165 0.3814 0.3056 0.1192 0.4568 0.2036 0.7153 0.1837 0.2469 0.7484 0.3186 0.6945 0.5731 0.2551 0.5559 0.6163 0.4740 0.7494 0.3200 0.3206 0.3560 0.4691 0.6488 0.5588 0.2958 0.7468 0.7425 0.7258 0.2362 0.7471 0.3028 0.2948 0.7495 0.3263 0.2980 0.7416 0.7499 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0.5328 0.5394 0.4216 0.8471 0.8185 0.5782 0.5934 0.3975 0.3207 0.3023 0.5101 0.0743 0.1028 0.3696 0.8507 0.6378 0.5520 0.7574 0.8564 0.8240 0.4910 0.5150 0.7800 0.4838 0.3016 0.2055 0.2956 0.7629 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 6 6 8 6 8 7 6 6 6 6 16 6 6 6 8 7 7 6 7 6 6 6 6 6 6 16 16 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 31.97207 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 7599.8455 34850.4459 41513.3003 0.99997 0.00586 0.00506 -0.00585 0.99998 -0.00177 -0.00507 0.00174 0.99999 1 0.01140 0.00249 0.00209 0.23747 0.05179 0.04347 23.88 24.97 39.12 49.14 60.03 65.17 93.31 110.04 125.04 145.98 153.43 180.94 206.08 215.94 230.45 234.09 259.41 267.59 290.14 303.33 349.18 379.29 401.77 407.26 422.96 473.83 506.85 515.19 559.98 565.42 571.97 604.93 632.13 636.64 640.37 688.31 695.70 775.78 817.95 834.24 875.40 914.47 923.38 930.08 940.77 971.93 990.09 1023.63 1033.61 1061.76 1080.36 1112.82 1126.25 1176.59 1181.46 1203.75 1245.51 1268.04 1275.85 1316.07 1339.83 1360.59 1368.29 1404.03 1463.69 1477.73 1522.09 1542.73 1548.60 1577.04 1579.93 1586.82 1602.14 1643.28 1680.49 1695.86 1743.57 1749.91 1779.23 1789.37 1793.39 1837.06 1849.75 1869.35 1902.32 1926.38 1945.59 1989.57 1998.90 2003.08 2021.35 2049.47 2063.35 2079.71 2177.99 2179.01 2184.15 2205.23 2225.05 2243.19 2262.52 2273.49 2322.40 2323.33 2328.25 2344.88 2345.81 2347.10 2347.72 2364.75 2375.41 2391.84 2411.79 2505.31 2514.52 2546.82 2587.94 2597.40 2606.71 2804.37 2847.93 4567.15 4596.57 4619.87 4624.69 4645.43 4697.91 4722.16 4724.06 4757.08 4771.33 4776.58 4778.35 4779.69 4832.96 4869.47 4883.02 4895.43 5434.28 5511.21 5592.87 0.406522 0.433086 0.434030 0.345422 -2365.704178 -2365.677615 -2365.676671 -2365.765279 2.971927D-04 MUNgauss RevisionA2.1 retrievium 22-Feb-2021 DUDE CCOC(=O)N1CCc2c(sc(c2C(=O)N)Nc3nc4ccc(cc4s3)SC)C1 C10069024 RHF 6-31G(d) (6D,10F) C1 448.069756 |X|Y|Z| 63.528373 20.719869 135.885993 56.343412 19 6 7 16 14 3 2 |36.858105| |12.582126|36.858105| |8.051242|13.378304|73.516695| |5.275960|8.122750|25.494672|36.858105| |4.628084|7.224818|15.250590|15.903985|73.516695| |4.158682|5.378584|15.199623|14.063418|14.969332|53.358707| |3.203038|3.994349|9.452474|7.846241|12.217483|17.812813|36.858105| |2.754121|3.266374|7.370015|5.344734|8.570010|10.553661|12.487637|36.858105| |2.744911|3.108235|7.109424|4.674913|7.044192|9.301276|7.677939|12.629127|36.858105| |3.159966|3.509331|8.428057|5.210786|7.301088|10.770240|6.913490|7.687280|14.234540|36.858105| |2.769906|2.884174|6.454478|3.671376|5.410594|6.402616|4.252991|4.738348|7.404519|10.952458|388.023441| |2.313594|2.453391|5.298587|3.150517|4.874206|5.404693|3.996155|5.033002|8.157083|7.701207|78.043259|36.858105| |2.335143|2.555764|5.558128|3.469922|5.443497|6.140839|4.920919|7.200865|13.126347|8.217776|52.565370|13.974819|36.858105| |2.027861|2.223794|4.668068|2.936040|4.817431|4.919560|4.137380|6.034837|7.387856|5.121948|33.641444|7.526585|12.805621|36.858105| |1.945412|2.160129|4.492395|2.885054|4.852888|4.784778|4.270257|6.234444|6.348730|4.455700|27.703444|5.367145|8.057011|15.928525|73.516695| |1.853887|1.996091|4.098903|2.508103|4.148185|4.036693|3.235082|4.314282|5.109007|4.042890|29.202544|6.429407|7.829540|13.771872|15.076690|53.358707| |2.014442|2.098790|4.387415|2.565785|4.066077|4.192884|3.113605|3.769553|5.189720|4.961696|49.303490|13.727725|7.801905|6.308771|8.269244|9.012141|53.358707| |1.928954|1.965975|4.048947|2.308277|3.661975|3.671369|2.653875|3.048693|3.974852|4.084611|42.577327|7.728437|5.125204|4.352373|6.222477|6.317268|19.070032|36.858105| |2.056443|2.058872|4.245430|2.364341|3.705958|3.728478|2.608667|2.890979|3.747941|4.131582|46.523079|6.477282|4.428238|3.625246|5.359954|5.027889|11.101673|15.010680|53.358707| |1.858998|1.836144|3.701670|2.042483|3.245493|3.137217|2.199057|2.388966|2.945590|3.198562|32.020406|4.428880|3.369023|2.926468|4.471832|4.141386|7.399972|8.708842|18.718374|36.858105| |1.868253|1.811024|3.608561|1.955485|3.107241|2.949568|2.034590|2.153316|2.593357|2.874570|27.663276|3.553379|2.833744|2.468737|3.859371|3.433358|5.440732|5.421387|10.531749|13.709959|36.858105| |1.667181|1.611523|3.159234|1.714742|2.759930|2.549842|1.774754|1.868955|2.192830|2.381042|21.615479|2.873169|2.383558|2.141974|3.402213|3.010188|4.402802|4.176540|7.025368|7.985265|13.810841|36.858105| |1.512785|1.477272|2.884585|1.584413|2.574498|2.356305|1.666106|1.772842|2.061513|2.183444|19.377326|2.710378|2.278845|2.102428|3.350021|3.011107|4.282641|4.056242|6.228767|6.847467|7.862331|13.618719|36.858105| |1.507044|1.489947|2.929430|1.628443|2.649762|2.446579|1.751302|1.895731|2.223039|2.312794|20.673236|3.038640|2.527223|2.361195|3.723344|3.450932|5.051333|4.984722|7.111655|7.843854|6.785309|7.904406|13.739449|36.858105| |1.652901|1.645466|3.281794|1.832882|2.955997|2.797491|2.002376|2.198070|2.649700|2.763993|25.876921|3.898726|3.093274|2.828805|4.355319|4.145671|6.883260|7.802185|11.027726|13.672929|7.932110|6.951728|8.007153|13.773423|36.858105| |1.640610|1.665270|3.346845|1.909409|3.095519|2.957267|2.170481|2.462850|2.999850|2.988551|27.407603|4.722767|3.729745|3.545581|5.317635|5.465714|9.652369|10.792892|9.988983|7.406574|4.879429|4.253933|4.677614|6.713276|10.849104|388.023441| |1.344509|1.308986|2.520602|1.383801|2.271843|2.030697|1.441583|1.520689|1.728123|1.813605|15.450109|2.165138|1.882452|1.769908|2.869620|2.532554|3.333159|2.962898|4.359970|4.171606|4.689951|6.881894|10.673812|6.923857|4.726797|24.240072|388.023441| |1.289929|1.259270|2.424121|1.335289|2.197462|1.960830|1.400734|1.465126|1.654663|1.736506|14.628584|2.038598|1.788351|1.684882|2.764835|2.376101|3.101797|2.704807|3.950079|3.632767|4.028567|5.387617|6.850500|5.299157|4.004668|21.750892|74.587906|36.858105| |4.066062|4.679923|12.782755|7.728590|9.457697|17.862553|7.711406|6.344775|7.509943|12.651961|47.909010|4.823499|5.045353|3.738530|6.165366|4.218655|4.904544|3.187098|4.541677|2.733118|2.569585|2.167979|1.969869|2.038581|2.366519|17.536094|11.861140|1.607847|36.858105| |17.555226|8.897160|10.221529|4.277632|7.134315|4.680073|2.779511|2.424593|2.391999|2.685682|17.034102|2.049638|2.072355|1.832485|3.144947|2.301271|2.466351|1.743663|2.517773|1.692874|1.707793|1.541972|1.406626|1.397601|1.519360|10.706982|8.979408|1.212731|3.314295|0.500000| |17.570831|8.847943|12.896596|4.899154|7.479310|5.524930|3.141219|2.680402|2.715453|3.185160|20.177407|2.324060|2.316283|1.997690|3.406123|2.479468|2.759475|1.957086|2.867566|1.910050|1.935851|1.724253|1.554130|1.539779|1.687253|11.807460|9.810354|1.332378|4.157752|0.300740|0.500000| |17.570357|8.846840|12.889172|4.896894|7.464132|5.537858|3.122391|2.776378|2.832018|3.289863|20.954667|2.440230|2.434268|2.098629|3.532080|2.634499|2.893867|2.045218|2.988148|1.980720|1.995049|1.771224|1.599367|1.591114|1.750064|12.297747|10.059989|1.344628|4.133299|0.300747|0.300815|0.500000| |8.813178|17.628841|16.528670|7.284726|13.048774|6.693090|3.868294|3.086502|2.878228|3.190503|18.695037|2.269494|2.378280|2.097646|3.674527|2.554632|2.662783|1.833309|2.599686|1.714138|1.691440|1.515384|1.395468|1.407324|1.546735|11.149734|8.844643|1.205787|4.187839|0.211666|0.211086|0.172968|0.500000| |8.813518|17.626738|16.526192|7.281569|12.973446|6.719023|3.834717|3.235675|3.018186|3.296223|19.309899|2.377199|2.506351|2.215158|3.833889|2.724613|2.782762|1.905084|2.688522|1.764672|1.730557|1.547014|1.427945|1.446170|1.594658|11.559183|9.026286|1.214937|4.164743|0.211602|0.172980|0.211144|0.302601|0.500000| |2.970136|3.589808|8.251950|6.218902|9.860843|12.456290|17.511237|8.867573|6.748165|6.378597|29.624443|3.879874|4.635666|3.925836|7.326898|4.180999|4.174057|2.636836|3.536020|2.199568|2.038815|1.781075|1.672320|1.755962|2.004233|15.401063|10.295873|1.421857|7.022838|0.072141|0.083208|0.079506|0.099372|0.093296|0.500000| |3.137827|4.030696|8.961212|7.719299|14.681168|12.570190|17.697302|8.819933|5.575754|5.031625|24.536797|3.316216|4.012221|3.604173|6.793732|3.957857|3.662058|2.327819|3.108846|1.962593|1.829982|1.616709|1.526124|1.599264|1.806997|13.884724|9.496418|1.298465|5.661153|0.077079|0.084030|0.083622|0.111544|0.110630|0.301932|0.500000| |2.408076|2.812618|6.089007|4.277807|7.220968|7.675781|8.872426|17.625316|8.899903|5.817720|29.100803|4.610894|6.638199|6.477976|13.826745|6.074657|4.931519|2.919060|3.694785|2.271362|2.036967|1.785989|1.713370|1.844167|2.127558|17.204994|10.512600|1.434103|4.867493|0.059878|0.065583|0.066926|0.075424|0.077492|0.220193|0.206544|0.500000| |2.760334|3.295672|7.243595|5.213526|8.700004|9.193951|8.845734|17.522255|8.910857|6.189854|29.812637|4.515566|6.240807|5.666830|10.221279|5.856343|4.775766|2.868748|3.697192|2.270446|2.053925|1.794987|1.708803|1.826002|2.103911|16.754605|10.483240|1.408210|5.391363|0.068019|0.072974|0.078151|0.085279|0.093852|0.174192|0.218758|0.303320|0.500000| |1.911894|2.042683|4.186836|2.526206|4.149559|4.026854|3.119466|4.084769|4.932172|4.064545|30.280634|6.558244|7.279742|9.361867|11.108462|25.958484|9.351232|4.919206|5.351762|3.219131|2.658519|2.317560|2.309043|2.645349|3.199220|29.730909|13.722824|1.781760|3.126007|0.048383|0.051924|0.056057|0.052817|0.057167|0.080961|0.078017|0.111853|0.116642|0.500000| |1.723147|1.858659|3.762446|2.309035|3.886620|3.644233|2.953671|3.855946|4.239780|3.413110|24.098293|4.823329|5.762949|9.554583|14.165103|25.940795|6.814504|3.827972|4.261517|2.672934|2.255446|2.014826|2.035462|2.324091|2.722286|25.115938|12.393423|1.641466|2.731245|0.044008|0.046906|0.049730|0.048874|0.052083|0.078132|0.075572|0.114089|0.108828|0.316660|0.500000| |1.865299|1.957264|4.044676|2.394686|3.861539|3.874049|2.959256|3.646754|4.758588|4.275151|37.413628|9.430863|7.327340|7.216345|9.259342|11.758830|26.001368|9.410678|8.114016|4.532747|3.439913|2.905829|2.912956|3.484366|4.565706|49.552024|16.533534|2.173900|3.201321|0.046983|0.051882|0.054362|0.051030|0.053380|0.080975|0.072142|0.100713|0.095388|0.231544|0.175091|0.500000| |2.046091|1.959837|3.918469|2.092338|3.293058|3.146187|2.130171|2.220444|2.679094|3.056855|29.685973|3.551049|2.846144|2.429991|3.814232|3.312056|5.143925|4.824100|9.517999|8.920467|17.740663|8.885394|5.600823|4.908144|5.644674|28.808603|27.578684|3.465834|2.788971|0.051639|0.059381|0.060989|0.050611|0.051598|0.059263|0.053033|0.057694|0.058686|0.071235|0.060326|0.089390|0.500000| |1.645172|1.574458|3.058449|1.646510|2.656099|2.421630|1.675367|1.742539|2.018221|2.202768|19.514084|2.544217|2.152825|1.938603|3.111134|2.701375|3.786140|3.433629|5.663186|5.668248|8.958424|17.735993|8.916805|5.643697|4.994391|24.404874|46.991635|5.370817|2.049110|0.042468|0.047451|0.048522|0.041198|0.041895|0.046728|0.042625|0.046183|0.046596|0.057630|0.050589|0.069983|0.214300|0.500000| |1.399477|1.389923|2.717943|1.519961|2.492704|2.274861|1.644105|1.785237|2.065332|2.114217|18.370913|2.763199|2.354575|2.254371|3.587247|3.335945|4.589141|4.297687|5.764121|5.596285|4.908186|5.626029|8.905576|17.741479|8.872142|43.997664|46.985412|5.185414|1.868952|0.036223|0.039581|0.040893|0.036605|0.037635|0.045791|0.041976|0.048657|0.047957|0.070574|0.063347|0.091046|0.106794|0.124102|0.500000| |1.343641|1.305861|2.516093|1.379434|2.262287|2.024764|1.438613|1.493316|1.689876|1.792072|15.157593|2.069447|1.809578|1.686220|2.769711|2.351213|3.107202|2.706290|4.045323|3.709768|4.303529|5.774468|6.396320|4.806384|3.868352|20.915937|55.876532|17.614607|1.670942|0.035037|0.038769|0.038862|0.034756|0.034827|0.040700|0.036961|0.040468|0.039709|0.048909|0.044922|0.059829|0.105144|0.169671|0.123324|0.500000| |1.276815|1.255319|2.425963|1.345537|2.216965|1.986773|1.430728|1.504157|1.701049|1.771610|14.922114|2.113735|1.854359|1.759149|2.890391|2.487015|3.254887|2.841118|4.059463|3.700606|3.891271|4.893445|6.395141|5.624393|4.244387|23.535426|55.884851|17.614611|1.626563|0.033291|0.036602|0.036866|0.033454|0.033658|0.040480|0.036790|0.041136|0.040022|0.051442|0.047792|0.063906|0.092144|0.127381|0.160378|0.299203|0.500000| |1.209446|1.179624|2.256205|1.242751|2.055214|1.813665|1.297530|1.352695|1.512708|1.580961|13.104644|1.828849|1.625226|1.542429|2.548154|2.175102|2.755161|2.353504|3.397916|3.024910|3.316114|4.241849|5.110734|4.197867|3.302150|18.800159|57.170178|17.595193|1.474942|0.031735|0.034655|0.034951|0.031454|0.031677|0.036556|0.033591|0.036852|0.036237|0.045254|0.042033|0.054064|0.081647|0.121239|0.118240|0.300275|0.300167|0.500000| |4.813197|5.273120|14.816566|7.288827|8.906049|12.504587|5.676572|4.988289|5.835741|8.927930|45.099096|4.398205|4.373157|3.326831|5.409832|3.912343|4.636417|3.109294|4.550598|2.769294|2.653642|2.231972|2.004111|2.050573|2.368245|17.171868|12.069387|1.620826|17.668115|0.105067|0.135948|0.142420|0.123523|0.128347|0.141717|0.128345|0.109958|0.128097|0.082435|0.070635|0.083437|0.081353|0.059025|0.051943|0.046885|0.045179|0.041328|0.500000| |3.893368|4.344880|11.138672|6.431864|8.406674|12.345668|6.535177|5.195490|5.953003|8.888423|43.119457|4.324029|4.371475|3.350671|5.631525|3.820047|4.571899|3.046771|4.400186|2.690111|2.563924|2.170444|1.962692|2.015389|2.323214|16.970801|11.853984|1.628419|17.487409|0.089034|0.116158|0.106533|0.113023|0.104183|0.192385|0.139355|0.119963|0.120864|0.077551|0.069379|0.083091|0.077822|0.057310|0.051250|0.047345|0.045797|0.041479|0.302958|0.500000| 2364.041590 -11772.505616 4180.467413 -232.536385 -5460.532999 3094.422253 -2366.110745 2.000875 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