Version2.2 2021-02-10T16:47:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 31-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](CCCC(C)C)NC(=O)CSc1nnc(n1C[C@@H]2CCCO2)CCC(=O)N C36692615 RHF 6-31G(d) (6D,7F) C[C@H](CCCC(C)C)NC(=O)CSc1nnc(n1C[C@@H]2CCCO2)CCC(=O)N C01[X(C20H35N5O3S1)] 186 C1 509 CC(CCC[C@H](NC(=O)CSc1nnc(n1C[C@@H]1CCCO1)CCC(=O)N)C)C CC(CCC[C@H](NC(=O)CSc1nnc(n1C[C@@H]1CCCO1)CCC(=O)N)C)C CC(C)CCC[C@@H](C)NC(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]2CCCO2 InChIKey=YCAKFVJTQDOKNW-CVEARBPZSA-N InChI=1S/C20H35N5O3S/c1-14(2)6-4-7-15(3)22-19(27)13-29-20-24-23-18(10-9-17(21)26)25(20)12-16-8-5-11-28-16/h14-16H,4-13H2,1-3H3,(H2,21,26)(H,22,27)/t15-,16+/m1/s1 InChI=1/C20H35N5O3S/c1-14(2)6-4-7-15(3)22-19(27)13-29-20-24-23-18(10-9-17(21)26)25(20)12-16-8-5-11-28-16/h14-16H,4-13H2,1-3H3,(H2,21,26)(H,22,27)/t15-,16+/m1/s1/f/h22H,21H2 C[C@H](CCCC(C)C)NC(=O)CSc1nnc(n1C[C@@H]2CCCO2)CCC(=O)N C01[X(C20H35N5O3S1)] 186 C01 509 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1.6555 1.3341 2.7243 1.3155 1.5540 1.5125 1.2850 1.9475 1.0986 1.2702 1.1056 1.0739 1.0847 1.0804 1.0534 1.1088 1.0609 1.0513 1.1337 1.0615 1.1085 1.0993 1.0488 1.1064 8.0655 1.8805 10.2100 1.2359 9.6296 9.5859 1.0682 1.0780 1.0702 1.0399 1.0730 1.0398 1.0408 1.0726 1.0942 1.0907 1.0736 1.0654 1.0658 1.0625 1.0764 1.1016 1.1014 1.0997 1.0639 1.0998 1.1013 1.0628 1.1000 1.1001 1.0991 1.1028 1.1018 1.1022 1.0905 1.0984 1.1074 1.1038 1.0467 1.0785 1.1060 0.0001 0.0003 0.0016 0.0010 0.0015 0.0020 0.0031 0.0050 0.0055 0.0066 0.0093 0.0091 0.0092 0.0142 0.0245 0.0253 0.0236 0.0156 0.0606 0.0389 0.0515 0.0221 0.0660 0.1160 0.0765 0.0433 0.0957 0.0742 0.1350 0.0891 0.0575 0.1074 0.1663 0.2714 0.2907 0.4277 0.2291 0.2955 0.2237 0.2080 0.3560 0.3928 0.4720 0.4184 1.1149 0.2260 0.5414 0.9247 0.4716 0.6162 0.9336 0.4028 1.4437 1.5419 1.8504 2.9914 0.4251 1.7877 1.3298 1.4812 1.5542 0.8614 1.0642 0.7595 1.0240 1.4489 1.1808 1.1385 1.4239 0.7413 1.2962 1.1860 1.1743 0.9678 1.1446 1.6608 1.5716 1.2421 1.8808 2.3093 1.7334 1.5903 1.0735 1.6993 2.0098 1.9285 1.7980 1.8496 6.0865 1.8577 2.4095 2.0118 3.7421 1.8863 1.1487 1.6642 1.1927 1.5131 1.9315 2.6702 1.4330 1.7879 1.7879 1.6792 1.4318 1.6708 1.5804 1.5583 1.3792 1.4249 1.4720 1.8928 2.1231 2.1781 1.7525 1.7995 1.8572 1.8010 2.0076 3.3373 2.1031 2.3543 1.9120 3.9167 1.8972 2.2522 2.2106 1.8783 2.9434 1.6712 1.9565 1.7280 1.6795 1.7027 1.7026 1.6631 1.7517 1.6873 1.6757 1.8076 1.7032 1.7840 1.7704 1.7003 1.8510 13.6141 3.2397 18.8395 2.3502 21.5549 21.8890 6.3159 6.3965 6.3632 6.2392 6.4502 6.2695 6.2802 6.4808 6.6330 6.6763 6.5755 6.5466 6.5538 6.5624 6.6580 6.8494 6.8760 6.8731 6.6507 6.8829 6.9014 6.6607 6.8975 6.9288 6.9519 7.0017 7.0057 7.0089 6.9711 7.0690 7.1412 7.1701 9.0878 9.4619 10.2622 0.1935 0.0669 0.2630 1.4930 6.0497 1.5535 1.3636 1.6709 1.1031 1.7584 1.9069 1.2241 2.8521 6.8685 7.1534 8.2119 2.4597 1.3469 2.0559 3.3623 4.0992 302.8226 10.3181 3.9855 3.0749 0.0363 2.4313 0.2434 2.8172 4.3074 0.0581 5.5322 1.1824 1.0894 0.7396 0.5491 0.7450 3.4148 20.0747 72.4394 37.6935 12.2343 10.3956 11.7731 2.4246 2.6110 6.0540 5.7565 1.9445 8.6246 30.7838 19.2827 2.2866 10.5622 28.4208 5.7392 1.3226 7.7196 6.2065 9.1521 1.3789 9.4177 12.3326 0.3208 17.6442 0.2187 2.6038 4.7004 5.0112 0.4292 2.2230 7.6051 1.0951 0.1421 2.7498 5.4785 1.3145 1.5018 14.4350 1.1016 3.6201 1.4260 2.0068 1.6556 5.5817 22.6923 6.0588 5.9452 2.3304 9.8861 76.0542 19.0202 109.2977 15.2977 0.2741 7.2123 0.2669 33.2005 161.5658 12.7067 8.5680 95.4023 31.4971 74.4905 0.9881 11.8310 13.0665 8.5912 1.7005 2.3342 2.1844 8.8851 2.5252 53.0027 15.4969 2.9080 32.8844 8.2864 10.9456 35.2534 1.6843 33.2628 4.1372 117.1805 7.7502 2.1013 12.5442 2.7509 100.4148 10.7776 3.1996 3.5270 0.3489 1.3945 36.9227 1.2978 2.4907 0.7680 5.8315 5.4901 2.5377 4.6977 4.7800 10.2020 1.7650 136.9572 500.9612 64.5739 156.8722 236.7364 361.1454 5.8355 4.7448 37.1731 26.1056 46.1174 37.7636 43.9889 79.2309 28.4940 14.3106 23.3808 30.5746 3.8137 14.3697 34.7152 4.0064 11.2951 5.7703 18.6785 154.4493 93.6598 20.3961 1.7693 28.0943 54.9142 15.0606 62.7673 56.6681 27.3312 32.5189 31.4711 1.6464 68.0098 27.7619 55.9951 0.7140 0.4588 0.1875 0.6522 0.8271 0.1301 0.1550 0.1311 0.6770 0.5131 0.4300 0.2326 0.3360 0.5514 0.2324 0.4041 0.0209 0.0480 0.9463 0.2796 0.6645 0.5998 1.1751 0.1384 0.3790 0.2162 0.3330 1.6084 0.5776 0.5909 0.2484 1.1641 0.2037 0.6128 1.0704 1.1764 0.2991 3.3208 1.0498 1.1464 2.2660 1.5780 1.3401 1.2412 1.9365 4.1794 1.6205 0.1164 0.9926 1.1766 1.3956 0.3824 1.3066 2.5774 2.4903 1.4574 0.2755 5.0299 8.0056 3.3723 7.1801 1.1098 7.8101 11.8024 5.3212 20.2696 11.8843 3.2494 10.3554 1.1514 4.8793 2.0048 10.5046 8.9944 2.8990 3.7840 1.5206 0.7584 6.8073 2.3180 4.6301 5.2902 10.1381 0.6066 7.6117 4.0463 5.4199 8.2547 5.6317 6.7105 1.0694 6.7062 1.3944 6.1545 9.7474 5.9791 0.1199 4.3257 1.4042 4.1739 6.6189 3.0623 1.9459 8.3058 1.7605 7.4546 1.5104 6.4956 16.9212 17.2189 6.3920 1.8728 4.7265 4.1729 0.4123 6.2801 1.0776 7.4348 7.6574 7.5513 1.9998 5.0381 1.3521 6.6324 0.6598 1.5479 8.5593 1.1013 14.6927 6.8201 16.0304 7.0795 5.3255 3.0020 34.1362 38.8417 9.4505 2.0579 18.6163 18.0991 21.2448 8.9129 1.2814 1.0725 8.6559 27.1449 1.6821 27.0222 4.2465 3.6082 4.8490 1.9909 138.4560 16.1042 16.2938 42.3417 141.4680 154.6575 104.8937 28.0177 109.1107 55.9708 60.3899 60.7694 45.0137 115.7922 14.9578 80.6408 51.6040 95.6187 60.1264 118.3655 44.2865 87.0381 91.0422 69.3097 5.8025 72.3917 108.9795 29.4230 74.9072 24.4680 31.4103 114.5812 27.9212 58.2109 0.7493 0.7487 0.7490 0.7499 0.7459 0.7495 0.7491 0.4767 0.7412 0.6849 0.7330 0.5865 0.6265 0.6862 0.7446 0.7288 0.7436 0.5522 0.1591 0.3639 0.1564 0.6536 0.1284 0.7452 0.4325 0.2483 0.6744 0.1510 0.4578 0.6717 0.1443 0.1419 0.7353 0.5781 0.5887 0.7477 0.6607 0.1708 0.2629 0.5248 0.2169 0.6270 0.6514 0.7343 0.3245 0.7371 0.6750 0.6765 0.4110 0.2667 0.7101 0.6765 0.5484 0.6340 0.6596 0.6898 0.4556 0.6580 0.1659 0.2161 0.5946 0.1572 0.1475 0.2019 0.1181 0.1991 0.1730 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0.7112 0.8440 0.1385 0.6944 0.7734 0.1367 0.6897 0.5525 0.7333 0.8534 0.7046 0.6597 0.1255 0.6514 0.8002 0.7918 0.2707 0.2832 0.8256 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 57 58 59 60 61 62 63 64 6 6 1 6 6 6 6 6 6 7 6 8 6 16 6 7 7 6 7 6 6 1 6 6 6 8 6 6 6 8 7 1 1 1 1 1 1 1 1 1 1 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 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9365.0309 36259.0006 40143.0915 0.99991 -0.01315 -0.00283 0.01318 0.99985 0.01103 0.00269 -0.01107 0.99994 1 0.00925 0.00239 0.00216 0.19271 0.04977 0.04496 8.46 14.72 28.66 32.67 34.19 41.53 47.98 63.00 64.27 78.90 91.66 101.14 108.09 128.16 132.35 144.05 159.43 174.78 205.73 210.39 227.55 252.67 269.41 319.39 327.18 348.76 357.01 366.45 366.98 388.11 402.85 413.86 459.13 495.18 515.09 528.19 589.90 614.67 654.06 682.06 696.29 705.34 727.57 746.66 771.60 778.74 799.86 870.30 930.31 942.58 943.49 975.89 1068.62 1082.14 1097.15 1122.82 1143.76 1153.71 1228.91 1242.80 1268.21 1273.00 1284.13 1314.54 1362.93 1374.04 1375.85 1390.07 1431.01 1452.31 1466.32 1474.20 1479.53 1503.38 1509.32 1519.72 1542.14 1544.65 1572.19 1596.59 1615.78 1632.44 1645.09 1654.15 1654.98 1679.23 1720.53 1733.99 1753.23 1788.50 1805.34 1833.54 1839.14 1865.45 1869.01 1872.24 1876.00 1890.43 1903.39 1911.82 1920.49 1943.18 1954.60 1992.71 2000.95 2004.39 2048.15 2078.40 2081.21 2095.23 2102.77 2110.76 2123.02 2125.05 2139.83 2153.28 2158.86 2168.24 2193.79 2209.61 2219.09 2235.28 2243.98 2247.49 2251.03 2256.58 2266.05 2266.22 2304.37 2311.88 2326.33 2343.39 2344.08 2348.47 2353.11 2355.17 2356.03 2363.85 2366.48 2366.86 2374.28 2377.93 2378.67 2386.61 2424.47 2435.27 2460.26 2546.19 2584.81 2804.37 2832.46 4557.85 4565.90 4570.62 4591.42 4595.73 4602.68 4604.47 4607.60 4614.93 4637.46 4638.85 4646.44 4648.09 4658.44 4661.78 4673.90 4683.32 4685.98 4686.46 4689.22 4692.21 4692.52 4693.80 4704.19 4714.17 4723.05 4726.53 4726.68 4739.16 4755.27 4759.90 4777.24 5523.24 5552.09 5709.56 0.594097 0.625847 0.626792 0.521642 -1671.520000 -1671.488250 -1671.487306 -1671.592455 3.526715D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE C[C@H](CCCC(C)C)NC(=O)CSc1nnc(n1C[C@@H]2CCCO2)CCC(=O)N C36692615 RHF 6-31G(d) (6D,10F) C1 425.246062 |X|Y|Z| 137.207390 62.057504 41.730141 70.828365 11 6 7 8 7 3 1 |36.858105| |12.457207|36.858105| |8.917642|17.622449|0.500000| |7.508813|12.440500|0.246794|36.858105| |4.861539|7.398406|0.192601|12.446849|36.858105| |3.754169|4.847823|0.126525|7.490625|12.439533|36.858105| |2.956549|3.690583|0.101381|4.836700|7.354520|12.396323|36.858105| |2.724446|3.408324|0.093011|4.163574|6.053555|7.457094|12.432153|36.858105| |2.518826|2.966486|0.080828|3.773099|4.865472|7.565704|12.435107|7.575400|36.858105| |7.735038|13.057857|0.259235|7.780485|6.255453|4.290406|3.458265|3.442111|2.774695|53.358707| |5.826360|7.710207|0.206558|5.182323|4.713787|3.455372|2.982650|3.050711|2.431616|19.211136|36.858105| |5.474431|6.747393|0.214327|4.557184|4.214378|3.149388|2.779045|2.790388|2.287047|11.528084|15.868428|73.516695| |4.218270|5.014065|0.130929|3.975630|3.806096|2.999867|2.682191|2.862533|2.232251|10.778963|12.535513|14.168744|36.858105| |3.249756|3.665481|0.102974|3.013563|2.981016|2.445950|2.279754|2.439239|1.934417|6.530113|6.982622|11.825295|10.509390|388.023441| |2.678842|2.943770|0.080149|2.563059|2.556432|2.187300|2.067239|2.254970|1.790126|5.097171|4.676758|7.512486|7.097814|76.908656|36.858105| |2.613610|2.890351|0.076869|2.593864|2.605089|2.261719|2.138647|2.371507|1.858113|5.045060|4.327670|6.627605|6.585088|49.790590|14.851480|53.358707| |2.227277|2.405048|0.064216|2.202059|2.211046|1.971411|1.885802|2.084961|1.671005|4.010038|3.317657|5.277886|4.506979|35.120546|8.920829|18.984191|53.358707| |2.103117|2.241935|0.060769|2.029969|2.029357|1.807672|1.735114|1.894606|1.543959|3.664466|3.091834|5.104989|4.048926|35.125377|8.880032|12.106803|20.237317|36.858105| |2.301818|2.463632|0.067663|2.175222|2.165595|1.892657|1.807181|1.956733|1.591301|4.065283|3.594006|6.063073|4.790265|49.160070|13.984964|11.915083|11.930869|13.936885|53.358707| |2.162190|2.278099|0.063665|1.999225|1.981854|1.736906|1.664039|1.776517|1.474008|3.640618|3.225545|5.730439|3.959975|41.704862|7.518501|7.233726|7.242319|7.518819|17.857250|36.858105| |1.971744|2.104476|0.059743|1.873351|1.893812|1.671853|1.628740|1.747144|1.445053|3.297702|2.886039|5.236768|3.390406|34.767714|5.596111|5.867069|5.881620|5.621182|10.420984|12.476112|36.858105| |1.816343|1.939523|0.054689|1.754530|1.784793|1.595137|1.565270|1.690766|1.398168|3.025779|2.586969|4.614037|3.042905|29.154391|4.990649|5.639676|6.026509|5.882052|9.373899|8.890380|17.563099|0.500000| |1.847537|1.942961|0.055728|1.727901|1.736363|1.540273|1.501564|1.588135|1.341637|2.964757|2.566824|4.793598|2.863908|27.898737|4.031320|4.436660|4.409591|3.967446|6.746637|7.484326|12.377927|0.242328|36.858105| |1.985832|2.106412|0.061574|1.853399|1.870273|1.641145|1.601096|1.682665|1.419306|3.186653|2.803573|5.427002|3.020950|30.012778|3.867605|4.226865|3.995363|3.401068|5.853637|5.772922|7.944672|0.161945|12.435903|36.858105| |2.056000|2.241893|0.065776|1.987806|2.048887|1.789665|1.764736|1.883508|1.548827|3.440123|3.048033|5.831583|3.335347|34.024399|4.352935|4.747069|4.385199|3.649001|6.289061|5.565288|8.181137|0.174353|8.055930|12.501776|36.858105| |2.112202|2.310438|0.066447|2.051855|2.109578|1.841940|1.806864|1.953553|1.583181|3.647559|3.251477|5.964389|3.800433|41.088784|5.951224|6.151945|5.712476|4.960996|9.154800|7.981395|13.555859|0.260579|8.076089|8.173868|13.509208|73.516695| |1.818875|1.910702|0.051990|1.752295|1.750879|1.585764|1.533201|1.663676|1.383810|3.031257|2.497964|4.207942|3.080968|25.840463|5.291341|7.199677|10.473910|12.716802|10.248585|6.146952|5.082499|0.162030|3.828333|3.124160|3.228485|7.416369|36.858105| |1.694021|1.778078|0.047984|1.661323|1.665793|1.531709|1.487048|1.622012|1.354815|2.798721|2.242449|3.733080|2.724864|21.364246|4.144053|6.195126|9.148937|7.620030|6.814970|4.148731|3.676259|0.115470|2.956197|2.519064|2.630356|5.767695|12.501672|36.858105| |1.502189|1.562438|0.042361|1.468424|1.471071|1.365532|1.331812|1.441971|1.225415|2.412214|1.915305|3.234463|2.253271|17.597519|3.180294|4.563143|5.971128|4.951085|5.149928|3.444002|3.188409|0.101062|2.707463|2.288123|2.339077|4.945632|7.570807|12.557529|36.858105| |1.447213|1.498454|0.040889|1.401491|1.401597|1.298668|1.267579|1.363876|1.167116|2.296161|1.834243|3.138282|2.131277|16.976115|2.992310|4.124299|5.162820|4.477817|4.956093|3.522043|3.324456|0.106751|2.897202|2.388722|2.391836|5.000604|6.883432|7.956159|15.872806|73.516695| |1.411377|1.465485|0.039578|1.393040|1.397487|1.310928|1.281973|1.388946|1.188865|2.245556|1.755337|2.952257|2.039831|15.466621|2.716836|3.980799|5.036983|3.875592|4.186600|2.793868|2.619500|0.081264|2.275435|1.975754|2.029306|4.198398|5.092003|7.876691|14.067358|15.136729|53.358707| |17.577726|8.818479|0.214552|5.480511|4.035117|3.174925|2.611541|2.460437|2.242399|9.607763|6.226679|11.118385|4.459206|25.146785|2.842294|3.684787|3.135240|2.205521|3.338655|2.333831|2.105875|0.053321|1.986166|2.145973|2.191347|3.988321|1.903424|1.750673|1.551999|2.672203|1.970394|0.500000| |17.547204|8.790914|0.213052|6.825445|4.561625|3.683089|2.907452|2.604252|2.520934|7.617549|4.529636|7.990384|3.440154|19.890333|2.341330|3.106853|2.694615|1.883880|2.790264|1.950381|1.802546|0.046315|1.709729|1.843374|1.899536|3.425792|1.652384|1.546018|1.384779|2.381008|1.778283|0.301183|0.500000| |17.527056|8.777330|0.173679|6.812588|4.464648|3.628760|2.842602|2.646305|2.466554|9.408924|5.132522|8.097876|4.055446|21.826572|2.630466|3.567518|3.063346|2.103468|3.084290|2.104372|1.901238|0.049033|1.770500|1.872874|1.934602|3.578821|1.823978|1.715785|1.520085|2.589944|1.954110|0.300581|0.301008|0.500000| |6.779702|8.852231|0.174152|17.468380|8.821141|6.885316|4.494080|4.008537|3.668654|9.677886|4.736143|7.130056|3.892511|20.582417|2.544951|3.582094|3.058016|2.046551|2.941412|1.964138|1.823228|0.047750|1.671611|1.767904|1.888721|3.510364|1.768617|1.693746|1.494087|2.520401|1.939531|0.139669|0.165899|0.201094|0.500000| |7.137754|8.932787|0.210228|17.527734|8.863046|6.895593|4.558967|3.724149|3.744274|7.696775|4.204376|6.977026|3.307702|18.742998|2.261485|3.090862|2.672967|1.831239|2.664847|1.825861|1.721274|0.044852|1.608305|1.727946|1.834633|3.328487|1.602532|1.522468|1.359337|2.317256|1.760538|0.143895|0.213566|0.176964|0.304558|0.500000| |4.577281|6.809818|0.209084|8.872481|17.502405|8.847517|6.832075|5.533557|4.574778|7.599391|4.584269|7.781356|3.617774|21.100917|2.489814|3.380884|2.880359|1.970842|2.894915|1.975503|1.911287|0.049786|1.768959|1.932615|2.123918|3.820865|1.707275|1.611463|1.429971|2.437699|1.841877|0.109251|0.123260|0.111522|0.173478|0.212781|0.500000| |4.478019|6.798177|0.174483|8.860973|17.567062|8.815458|6.635524|6.668503|4.435099|9.560437|5.342331|8.049410|4.457737|23.974137|2.897768|4.075013|3.391938|2.254561|3.272189|2.161538|2.061349|0.054028|1.860285|1.996180|2.218712|4.121676|1.917670|1.823161|1.592629|2.682990|2.053512|0.107456|0.111532|0.116729|0.210265|0.173931|0.304262|0.500000| |3.627360|4.504934|0.112169|6.808734|8.843850|17.479952|8.846098|6.843391|6.866915|5.679002|3.321861|5.254456|2.977032|17.003286|2.186642|3.130290|2.741083|1.827676|2.574318|1.719785|1.642283|0.043745|1.504757|1.585731|1.723176|3.188335|1.604411|1.563721|1.391461|2.339947|1.827414|0.085139|0.097162|0.101710|0.205266|0.168990|0.173526|0.212688|0.500000| |3.747012|4.580809|0.121240|7.022532|8.890825|17.501415|8.883944|5.481955|7.166091|5.219523|3.128231|5.197581|2.690608|15.891991|1.995142|2.781389|2.449281|1.666523|2.378474|1.621858|1.561675|0.041341|1.453964|1.551550|1.673786|3.036827|1.474938|1.423719|1.278793|2.171469|1.673127|0.087210|0.106801|0.100151|0.176094|0.213089|0.210135|0.173817|0.304050|0.500000| |2.912884|3.643108|0.104542|4.568299|6.859557|8.912369|17.488160|8.919978|8.930536|4.562013|2.963288|5.046262|2.621519|16.200861|2.033696|2.819311|2.485855|1.698823|2.430972|1.662035|1.640641|0.043623|1.523636|1.641263|1.812670|3.256958|1.504031|1.447889|1.300904|2.213230|1.697509|0.072279|0.080565|0.075996|0.112279|0.122849|0.208978|0.167428|0.174292|0.212938|0.500000| |2.376454|2.891393|0.080192|3.396495|4.602205|5.450020|8.781705|17.543819|7.005759|3.977258|2.672028|4.428629|2.545152|15.940727|2.095991|2.989244|2.667536|1.793802|2.510489|1.686112|1.677701|0.045374|1.531426|1.620965|1.819489|3.335615|1.591158|1.556952|1.393740|2.348364|1.832709|0.060533|0.063663|0.064040|0.090780|0.086805|0.123901|0.137021|0.140479|0.123267|0.212168|0.500000| |2.910559|3.759606|0.103951|4.418067|6.641912|6.693061|8.714484|17.569612|5.485358|5.350746|3.533593|5.699479|3.311329|19.920361|2.549085|3.635208|3.136528|2.087887|2.964156|1.964849|1.935539|0.051768|1.744739|1.860329|2.109615|3.902992|1.809374|1.747640|1.540240|2.589670|2.003939|0.073667|0.075954|0.077508|0.115214|0.105901|0.173024|0.229545|0.166347|0.137623|0.213715|0.302646|0.500000| |2.670959|3.279336|0.086789|4.022110|5.438554|6.793797|8.770112|17.515904|6.791340|4.605115|2.963545|4.724111|2.851578|17.015014|2.262677|3.301567|2.917896|1.924461|2.670388|1.763414|1.718929|0.046449|1.553503|1.627390|1.812284|3.382682|1.690675|1.665582|1.476937|2.467715|1.947544|0.066845|0.070304|0.073738|0.113521|0.098995|0.129979|0.170290|0.204171|0.140587|0.173560|0.301704|0.301398|0.500000| |2.533311|2.924349|0.080127|3.733302|4.577026|6.917779|8.750973|5.489953|17.540916|3.615868|2.324889|3.934108|2.107210|13.050074|1.687570|2.365014|2.133013|1.458146|2.052975|1.408013|1.378411|0.036945|1.289555|1.367464|1.479918|2.672594|1.312295|1.281374|1.164092|1.978303|1.536459|0.062356|0.071907|0.068659|0.099741|0.107812|0.122564|0.110879|0.169475|0.216796|0.213322|0.142202|0.122373|0.139014|0.500000| |2.238878|2.610626|0.072147|3.177370|4.016668|5.486404|8.760482|6.933095|17.543112|3.379413|2.229792|3.764526|2.073804|13.040751|1.708936|2.410488|2.184562|1.488740|2.083101|1.422648|1.406757|0.037964|1.308709|1.383972|1.515276|2.743934|1.341857|1.316447|1.195600|2.027078|1.581447|0.056278|0.062149|0.060693|0.085427|0.087231|0.108973|0.105524|0.140215|0.144368|0.213370|0.211438|0.141802|0.168270|0.301610|0.500000| |2.458157|2.852590|0.075956|3.632375|4.472308|6.829233|8.767497|6.836533|17.520644|3.690811|2.360141|3.893489|2.201288|13.448344|1.775577|2.536444|2.292087|1.545598|2.149511|1.453954|1.417081|0.038228|1.310553|1.375145|1.496100|2.741465|1.387476|1.368557|1.237314|2.086513|1.641621|0.060694|0.067798|0.068202|0.102565|0.098952|0.111536|0.116579|0.203281|0.175813|0.173619|0.171993|0.139047|0.200571|0.301476|0.301649|0.500000| |6.490100|9.002465|0.181449|7.236113|5.934846|4.332817|3.466849|3.528179|2.814357|26.037464|9.424447|10.876430|7.649928|31.812487|3.768063|5.326976|4.226947|2.765503|4.070063|2.617259|2.351181|0.060687|2.091215|2.204228|2.380709|4.567348|2.280637|2.136537|1.829508|3.066763|2.332335|0.160644|0.135535|0.185022|0.215135|0.145638|0.137823|0.193181|0.123491|0.105608|0.090400|0.082469|0.110528|0.099783|0.074040|0.069618|0.078087|0.500000| |4.225943|4.646574|0.116514|3.735185|3.431840|2.788125|2.466702|2.603491|2.096398|9.485332|8.885489|11.105713|17.595539|56.312694|6.721040|8.999646|6.365383|4.149536|6.467935|3.887824|3.202624|0.080682|2.726019|2.797790|2.985705|6.073847|3.170274|2.826238|2.327647|3.892841|2.873921|0.125592|0.094798|0.118301|0.105550|0.087619|0.089013|0.108483|0.078443|0.070382|0.066268|0.064514|0.081479|0.073309|0.055308|0.053959|0.058105|0.205273|0.500000| |3.799492|4.677407|0.120909|4.008494|4.044115|3.219428|2.915788|3.224433|2.400764|9.805262|8.846857|10.824626|17.634261|56.474365|6.739452|9.824573|6.507206|4.062023|6.190517|3.645766|3.223796|0.082600|2.687092|2.800800|3.173658|6.505668|3.080400|2.794218|2.289702|3.800961|2.846839|0.106364|0.087974|0.103312|0.110891|0.091250|0.104397|0.138547|0.089806|0.078255|0.078010|0.078984|0.105610|0.090339|0.061950|0.062009|0.066148|0.214176|0.303334|0.500000| |2.358862|2.463907|0.069302|2.117639|2.073421|1.796146|1.704658|1.799911|1.503449|3.936339|3.577739|6.523322|4.308792|47.899541|7.095395|6.670835|6.200481|5.744379|12.600308|17.610195|8.853411|0.174176|7.000575|6.204140|5.589504|12.593050|4.704837|3.455956|2.934204|5.312222|3.339833|0.071968|0.058840|0.063195|0.057386|0.053778|0.057694|0.062432|0.049153|0.046778|0.047482|0.047183|0.055373|0.049384|0.040079|0.040128|0.041052|0.077276|0.117421|0.105142|0.500000| |2.000213|2.073385|0.057556|1.836175|1.807907|1.602792|1.534612|1.630682|1.372924|3.265397|2.817057|4.981475|3.383773|32.290903|5.749288|6.191653|6.662754|7.063239|12.561453|17.599453|8.855946|0.215661|6.709816|4.869754|4.445396|10.198846|6.870797|4.453307|3.808585|7.155782|4.102392|0.059891|0.050436|0.054574|0.050473|0.046933|0.049860|0.054325|0.044306|0.041806|0.042453|0.043111|0.049589|0.045191|0.036539|0.036839|0.037765|0.065799|0.095255|0.087268|0.302907|0.500000| |1.827978|1.892270|0.053971|1.676990|1.664756|1.479764|1.432270|1.504050|1.285626|2.873483|2.473051|4.612823|2.746579|26.072719|3.784394|4.206279|4.226084|3.821219|6.396102|7.282638|8.662516|0.188415|17.567663|8.657523|5.735201|10.447182|3.784268|2.917347|2.710049|5.225594|3.092981|0.054954|0.047024|0.048877|0.045258|0.043532|0.046921|0.049245|0.040294|0.038986|0.040257|0.040167|0.045624|0.041028|0.034456|0.034734|0.034981|0.056434|0.074239|0.070730|0.200453|0.206341|0.500000| |1.680817|1.768752|0.050706|1.594207|1.612768|1.445788|1.421054|1.505930|1.277989|2.672229|2.271269|4.214899|2.509163|23.363650|3.430786|3.938183|3.995520|3.540060|5.632985|5.604813|8.795689|0.226312|17.566587|8.805759|6.790209|11.596844|3.567566|2.834736|2.669013|5.155053|3.068322|0.049758|0.043519|0.044871|0.042910|0.041405|0.045675|0.047868|0.039255|0.037970|0.040085|0.040630|0.045731|0.040923|0.034113|0.034803|0.034686|0.052632|0.066467|0.066580|0.141121|0.148824|0.302526|0.500000| |2.175286|2.287751|0.067134|1.976432|1.968136|1.708959|1.648239|1.717402|1.455370|3.464621|3.104803|6.150024|3.301933|33.523817|4.046553|4.338447|4.007714|3.374393|5.949099|5.862916|6.702624|0.136864|8.776502|17.556841|8.841979|12.218865|3.031292|2.449719|2.207647|4.064448|2.606836|0.066281|0.055833|0.056624|0.052183|0.051170|0.056544|0.058127|0.045801|0.044999|0.046940|0.045597|0.052787|0.046122|0.039087|0.039186|0.039148|0.065845|0.085124|0.082607|0.197959|0.136264|0.217083|0.173969|0.500000| |1.845905|1.947302|0.057218|1.728133|1.747337|1.545906|1.516152|1.583711|1.352597|2.890335|2.495226|4.857111|2.621188|24.618587|3.174831|3.599149|3.433372|2.867380|4.713204|4.396457|5.691237|0.129692|8.672563|17.585115|8.707519|10.357952|2.700819|2.238267|2.074139|3.870664|2.467978|0.055211|0.048127|0.048272|0.045674|0.045164|0.050444|0.051330|0.041365|0.040843|0.043382|0.042625|0.048327|0.042404|0.036336|0.036773|0.036310|0.055483|0.067797|0.068080|0.129283|0.109206|0.193472|0.218669|0.301552|0.500000| |2.241210|2.482174|0.074036|2.180174|2.263308|1.949834|1.921900|2.045457|1.667929|3.805158|3.429700|6.746090|3.644743|37.337930|4.320208|4.733502|4.211327|3.372802|5.785535|4.779525|5.995098|0.134118|5.742273|8.667690|17.630166|16.721167|2.915329|2.430467|2.148917|3.854671|2.573645|0.066387|0.057454|0.057837|0.056830|0.055716|0.065974|0.068179|0.051654|0.050542|0.055278|0.054677|0.064274|0.054118|0.044268|0.045237|0.044453|0.071918|0.088027|0.095737|0.140264|0.106841|0.127064|0.137262|0.218947|0.192989|0.500000| |1.868391|2.038527|0.059742|1.840241|1.916282|1.697084|1.694596|1.816006|1.497816|3.087432|2.664134|5.037872|2.883709|27.471732|3.672110|4.205787|3.983210|3.275782|5.321121|4.519671|6.613162|0.161760|6.785391|8.786129|17.522392|16.524527|2.998331|2.501594|2.263796|4.134147|2.693436|0.054733|0.048373|0.049020|0.048655|0.047442|0.055278|0.057461|0.045378|0.044145|0.048462|0.049258|0.056209|0.048461|0.039709|0.041004|0.040153|0.059804|0.072305|0.078015|0.121141|0.106012|0.137139|0.186830|0.174104|0.217918|0.300503|0.500000| |1.722984|1.818160|0.049979|1.671694|1.684684|1.529137|1.491415|1.619674|1.347468|2.855114|2.359833|4.038918|2.850536|24.515585|4.753501|6.195641|8.135366|8.942434|9.158455|6.222898|5.841635|0.208898|4.312795|3.381694|3.514670|8.156315|17.576652|8.884487|6.978649|12.690576|6.457556|0.050060|0.043770|0.047609|0.046509|0.042645|0.046011|0.051122|0.042711|0.039567|0.040880|0.043331|0.048974|0.045420|0.035505|0.036479|0.037367|0.059057|0.079506|0.079279|0.128417|0.191154|0.115363|0.115133|0.088273|0.081274|0.085709|0.092447|0.500000| |1.801187|1.863930|0.050692|1.698437|1.677394|1.518437|1.458827|1.565726|1.321164|2.933053|2.416297|4.106143|2.934137|24.529720|4.753584|6.218703|8.191577|8.951488|9.127299|6.183338|4.816753|0.146181|3.846997|3.094934|3.062734|6.801617|17.556491|8.881349|6.950027|12.474409|6.488774|0.052769|0.045527|0.050266|0.047634|0.043385|0.045491|0.050584|0.042651|0.039487|0.039816|0.041517|0.047080|0.044135|0.034994|0.035506|0.036785|0.061039|0.085359|0.079555|0.135353|0.218677|0.110847|0.098555|0.084751|0.074694|0.076859|0.078339|0.305441|0.500000| |1.754654|1.830003|0.048901|1.712172|1.701981|1.566951|1.509059|1.641558|1.376961|2.891507|2.292959|3.770765|2.801634|21.176558|4.088190|6.358946|9.412715|6.942122|6.384397|3.813109|3.270896|0.098502|2.682042|2.338063|2.426192|5.238329|8.830473|17.568681|8.916914|10.904719|9.762928|0.050276|0.044314|0.049836|0.048919|0.043508|0.045376|0.051727|0.044744|0.040461|0.040581|0.043516|0.048953|0.047150|0.036196|0.036996|0.038827|0.062003|0.082640|0.079819|0.091449|0.113023|0.074393|0.070586|0.064263|0.057886|0.063328|0.063544|0.173714|0.211294|0.500000| |1.684083|1.788942|0.048320|1.686927|1.711837|1.580652|1.547053|1.706269|1.408341|2.820993|2.248036|3.723585|2.733789|21.205784|4.098460|6.355704|9.373889|6.961748|6.408875|3.826526|3.545593|0.112436|2.827092|2.456031|2.635393|5.793843|8.840675|17.557169|8.929258|11.007010|9.616168|0.047971|0.042734|0.047299|0.047766|0.042811|0.045948|0.052378|0.044870|0.040593|0.041757|0.045674|0.051164|0.048792|0.036801|0.038140|0.039556|0.060024|0.077441|0.079711|0.089313|0.108697|0.075731|0.075995|0.065805|0.060819|0.068078|0.070458|0.211109|0.173740|0.305542|0.500000| 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