Version2.1 2021-01-24T13:10:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C(=O)Nc1ccc(cn1)Cl)Sc2nnc(n2c3ccc(cc3)Cl)C[NH+]4CCCCC4 C08719252 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)Nc1ccc(cn1)Cl)Sc2nnc(n2c3ccc(cc3)Cl)C[NH+]4CCCCC4 C01[X(C22H25Cl2N6O1S1)] 165 C1 542 O=C([C@H](Sc1nnc(n1c1ccc(cc1)Cl)C[NH+]1CCCCC1)C)Nc1ccc(cn1)Cl O=C([C@H](Sc1nnc(n1c1ccc(cc1)Cl)C[NH+]1CCCCC1)C)Nc1ccc(cn1)Cl C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1c3ccc(Cl)cc3)C(=O)Nc4ccc(Cl)cn4 InChIKey=CQAYEGNJQIOOFX-OAHLLOKOSA-O InChI=1S/C22H24Cl2N6OS/c1-15(21(31)26-19-10-7-17(24)13-25-19)32-22-28-27-20(14-29-11-3-2-4-12-29)30(22)18-8-5-16(23)6-9-18/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,25,26,31)/p+1/t15-/m1/s1 InChI=1/C22H24Cl2N6OS/c1-15(21(31)26-19-10-7-17(24)13-25-19)32-22-28-27-20(14-29-11-3-2-4-12-29)30(22)18-8-5-16(23)6-9-18/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,25,26,31)/p+1/t15-/m1/s1/fC22H25Cl2N6OS/h26,29H/q+1 C[C@H](C(=O)Nc1ccc(cn1)Cl)Sc2nnc(n2c3ccc(cc3)Cl)C[NH+]4CCCCC4 C01[X(C22H25Cl2N6O1S1)] 165 C01 542 O=C([C@H](Sc1nnc(n1c1ccc(cc1)Cl)C[NH+]1CCCCC1)C)Nc1ccc(cn1)Cl O=C([C@H](S[C]1[N][N][C]([N@@]1[C]1[CH][CH][C]([CH][CH]1)Cl)C[NH]1CCCCC1)C)N[C]1[CH][CH][C]([CH][N]1)Cl C[C@@H](S[C]1[N][N][C](C[NH]2CCCCC2)N1[C]3[CH][CH][C](Cl)[CH][CH]3)C(=O)N[C]4[CH][CH][C](Cl)[CH][N]4 InChIKey=CFLLMFOJADIYCU-OAHLLOKOSA-N InChI=1S/C22H25Cl2N6OS/c1-15(21(31)26-19-10-7-17(24)13-25-19)32-22-28-27-20(14-29-11-3-2-4-12-29)30(22)18-8-5-16(23)6-9-18/h5-10,13,15,29H,2-4,11-12,14H2,1H3,(H,25,26,31)/t15-/m1/s1 InChI=1/C22H25Cl2N6OS/c1-15(21(31)26-19-10-7-17(24)13-25-19)32-22-28-27-20(14-29-11-3-2-4-12-29)30(22)18-8-5-16(23)6-9-18/h5-10,13,15,29H,2-4,11-12,14H2,1H3,(H,25,26,31)/t15-/m1/s1/f/h26H 3517.5354980236 -2565.4949321 1-A 29204.1280 128 414 542 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1562.5363 1569.7859 1590.4031 1593.9742 1624.3588 1629.4254 1633.6500 1634.5494 1640.1753 1641.0004 1642.8972 1643.2584 1659.1316 1661.4688 1680.9172 1709.8896 1764.9088 1770.7442 1796.1631 1800.1218 1804.0084 1961.4640 3207.1533 3209.9908 3222.1951 3224.8495 3264.8828 3274.2961 3280.6957 3284.3962 3287.5128 3292.5736 3293.3430 3308.2992 3326.7652 3327.6529 3357.5500 3358.8355 3375.3141 3387.5240 3401.8591 3403.6827 3411.8739 3414.1693 3470.7508 3683.2940 3858.3212 8.7947 4.7545 7.4806 5.6948 5.9851 3.7893 3.9661 4.8507 7.2915 7.1299 6.1841 7.2977 7.3330 4.4681 5.0016 6.5353 6.2936 7.7581 4.4768 2.8773 2.0716 1.2929 3.9525 3.6994 8.0236 6.4569 5.0163 3.9643 2.9662 3.3434 5.6118 5.1034 5.7024 4.6814 2.8562 2.9268 3.9994 7.7741 2.9073 3.0800 4.3496 6.2585 2.4513 8.4030 1.9869 3.1858 1.2642 6.3572 7.0250 7.9370 6.5028 7.2529 4.4178 5.0957 4.1559 6.0097 3.4037 4.6056 5.1200 2.4874 2.0804 2.7125 4.9137 1.5485 1.2573 1.5300 1.4428 2.2255 2.3965 3.4424 1.5919 1.7674 1.4040 2.4085 1.4902 5.8384 1.3772 1.9968 4.0979 3.9683 1.3456 2.4644 3.8392 2.9629 2.0212 2.0838 1.8934 3.8495 1.5945 3.2006 3.4146 2.1429 1.6249 3.5199 1.5933 1.8519 1.1532 1.9541 1.3325 1.3865 3.6738 2.5245 1.2043 1.2413 1.2521 1.4272 1.3058 2.0856 1.4992 1.4088 1.5501 1.5190 1.3983 1.4631 3.4604 1.5177 1.7566 2.6528 1.2220 1.6652 1.7246 1.2853 1.1324 1.1039 1.0956 1.1744 1.0991 1.1360 1.1000 1.6531 1.8665 1.7787 2.9309 2.5574 7.0811 9.1507 4.8084 5.4934 5.3031 9.8572 1.0722 1.0738 1.0662 1.0380 1.0643 1.0787 1.0921 1.0856 1.0964 1.0992 1.0622 1.0901 1.1036 1.1111 1.1064 1.1103 1.0926 1.0928 1.0941 1.0939 1.0956 1.0961 1.0948 1.0782 1.0786 0.0004 0.0004 0.0011 0.0020 0.0037 0.0025 0.0043 0.0061 0.0108 0.0183 0.0276 0.0461 0.0534 0.0420 0.0533 0.0926 0.0944 0.1921 0.1219 0.0989 0.0731 0.0496 0.1901 0.1947 0.4361 0.3851 0.3333 0.2714 0.2181 0.2827 0.4907 0.4723 0.6090 0.5830 0.3622 0.3733 0.5272 1.0527 0.4073 0.4525 0.6943 1.0510 0.4833 1.7004 0.4284 0.7363 0.3364 1.7860 1.9856 2.3503 2.2406 2.6779 1.6330 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0.7496 1.9036 10.7573 2.9695 1.0137 1.3220 0.6105 2.9516 23.7425 0.1102 3.4395 5.3274 11.6409 20.9612 17.6335 5.3725 37.4596 72.2796 6.7768 0.1410 5.1767 1.4808 6.8819 14.0399 5.0034 13.7264 2.5510 8.4589 14.6234 20.6531 5.1224 0.4694 3.4300 0.3448 8.8613 3.1334 37.1801 49.0878 19.3155 49.3859 16.3866 24.8422 9.6438 2.5647 34.2116 2.8830 16.5783 0.0986 6.1219 20.4986 5.6730 0.3725 33.5016 8.0227 27.8403 2.7016 2.2493 0.2416 46.1996 50.1152 95.9551 7.2783 46.2188 31.2945 8.5580 5.0799 14.9647 5.4444 130.6343 8.8505 1.8602 99.1019 99.1306 2.2297 8.0655 26.7839 96.4329 0.2196 1.8403 6.7471 16.2524 36.5469 2.9366 0.6442 2.9523 297.9206 13.3433 46.8549 8.6391 12.3512 39.1390 158.9520 113.7544 4.5135 3.3776 38.8217 19.6018 6.9153 16.2406 17.3589 34.1335 73.5400 70.7178 253.2990 894.1597 2.0341 8.6681 171.0977 8.8511 33.1091 196.0463 7.3220 9.6912 33.6830 18.8734 2.7787 2.5649 12.1378 10.6003 20.3050 6.7694 4.9058 19.5073 9.5764 7.9061 1.7809 1.1159 4.5737 1.6586 9.6630 1.8190 0.0947 0.1382 4.1240 44.9435 61.5952 1.5964 0.4441 1.1797 4.2755 1.4587 1.0228 7.2010 1.7975 1.2261 0.8553 0.9197 0.6697 0.5407 0.9677 0.5425 0.3201 0.6753 0.9871 0.8676 1.3133 0.2407 0.2098 0.5635 2.7555 1.2720 1.0115 2.0661 3.0433 1.2236 2.6121 2.8551 3.5924 0.6971 1.2858 1.5175 0.9883 0.6085 3.2978 1.7283 0.9096 1.2043 1.5723 0.3458 1.0424 1.7703 3.4731 1.4505 13.2711 4.7012 19.4560 2.2622 1.8936 7.5810 5.2032 6.0264 26.3769 2.4699 3.0475 3.3323 3.3817 4.9451 4.2711 23.2886 0.6833 1.3677 0.4054 0.5488 2.1288 3.4215 7.2779 3.6804 3.6521 1.9695 15.2286 0.6892 3.3169 0.1495 11.2478 0.7699 8.0573 0.5955 6.5766 6.6922 23.7431 2.4619 3.6189 0.8880 2.5691 4.6770 11.4601 27.0388 23.6228 8.3101 1.4003 12.6688 0.6512 4.6073 2.9149 6.2538 5.4244 10.0612 22.2750 5.6945 18.6248 22.2448 8.9222 1.2283 5.3407 12.6343 2.7411 9.1557 8.5275 2.3471 1.4612 12.7168 6.0570 25.1759 1.4452 2.9506 53.2704 41.7096 24.8522 1.8445 13.1435 12.6442 15.5107 5.0984 7.7757 7.6558 26.6706 31.3679 39.8307 4.0181 16.8238 20.3865 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14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 9103.0483 47083.0392 53757.3595 0.99993 0.01205 0.00051 -0.01204 0.99987 -0.01036 -0.00063 0.01035 0.99995 1 0.00951 0.00184 0.00161 0.19826 0.03833 0.03357 13.12 16.67 23.05 35.30 46.92 48.25 61.87 66.72 72.08 94.93 125.26 149.04 160.02 181.75 193.59 223.17 229.52 294.92 309.35 347.58 351.99 367.31 411.05 429.97 436.97 457.79 483.14 490.47 508.26 545.03 554.28 570.24 612.56 661.50 667.50 669.41 680.52 689.77 701.60 718.43 748.90 768.14 832.25 843.20 870.35 901.11 966.89 993.53 996.53 1019.99 1100.28 1138.96 1139.62 1148.19 1161.35 1176.74 1194.03 1199.29 1215.06 1232.47 1266.83 1313.35 1349.75 1358.92 1364.93 1379.64 1388.03 1408.44 1466.88 1473.22 1495.74 1518.24 1547.20 1565.38 1569.74 1588.94 1599.01 1601.70 1608.68 1613.51 1614.13 1624.11 1642.83 1675.00 1678.63 1699.36 1719.90 1723.51 1733.78 1747.32 1768.27 1780.53 1781.12 1828.11 1831.47 1836.43 1865.95 1874.78 1915.61 1952.51 2009.56 2017.31 2035.09 2042.56 2061.48 2068.22 2077.61 2101.13 2122.72 2145.01 2148.26 2162.07 2209.99 2213.27 2213.63 2225.75 2237.42 2240.71 2248.14 2258.57 2288.24 2293.37 2337.09 2344.38 2350.46 2351.75 2359.85 2361.03 2363.76 2364.28 2387.12 2390.48 2418.46 2460.15 2539.31 2547.71 2584.28 2589.97 2595.57 2822.11 4614.38 4618.46 4636.02 4639.84 4697.44 4710.98 4720.19 4725.51 4730.00 4737.28 4738.39 4759.90 4786.47 4787.75 4830.77 4832.62 4856.32 4873.89 4894.52 4897.14 4908.93 4912.23 4993.64 5299.44 5551.26 0.493168 0.521255 0.522199 0.426893 -2565.001764 -2564.973678 -2564.972733 -2565.068039 3.196579D-04 MUNgauss RevisionA2.0 retrievium 24-Jan-2021 DUDE C[C@H](C(=O)Nc1ccc(cn1)Cl)Sc2nnc(n2c3ccc(cc3)Cl)C[NH+]4CCCCC4 C08719252 RHF 6-31G(d) (6D,10F) C1 491.118762 |X|Y|Z| 65.358820 29.294346 155.157387 66.724729 28 6 7 16 21 6 1 |36.858105| |12.428243|36.858105| |8.824109|17.640881|0.500000| |7.600079|12.482612|0.244479|36.858105| |5.962648|8.023826|0.165443|15.905112|73.516695| |5.947907|7.890869|0.206853|14.081099|14.941524|53.358707| |4.268456|5.033450|0.134115|7.653063|11.551694|18.459540|36.858105| |3.657271|4.197573|0.107429|6.263520|11.620229|10.492609|13.702593|36.858105| |2.928445|3.234368|0.085219|4.319310|7.938164|7.026437|8.053588|13.799731|36.858105| |2.702260|2.940967|0.080093|3.722345|6.452128|6.331434|7.064919|7.982365|13.770870|36.858105| |2.956926|3.231282|0.090566|4.024908|6.542717|7.419617|8.389656|7.001308|8.020280|13.807541|36.858105| |3.661331|4.120899|0.116742|5.336535|8.066564|11.471212|14.474867|7.994520|6.929514|8.055879|14.444392|53.358707| |2.177602|2.319817|0.063573|2.783532|4.903716|4.450525|4.300091|4.766934|7.002234|10.982366|7.036015|6.566671|448.794386| |6.780058|10.375735|0.221422|7.108340|11.968048|6.694744|3.730220|3.434574|2.754574|2.470934|2.605385|4.247885|16.231852|388.023441| |5.602599|6.965488|0.195914|4.722199|7.563607|5.208560|3.011095|2.720672|2.279240|2.119241|2.270641|3.646231|14.276021|77.330653|36.858105| |5.653808|6.443067|0.207299|4.319008|6.611420|5.091886|2.938613|2.585398|2.191859|2.082331|2.274509|3.670174|14.075865|49.366030|14.764511|53.358707| |4.107240|4.420872|0.137102|3.314343|5.276643|4.045670|2.446045|2.193122|1.904920|1.826211|1.980035|3.117920|12.601433|35.105749|8.907876|19.124928|53.358707| |3.626167|3.971383|0.116818|3.100180|5.121096|3.714986|2.285546|2.097263|1.828252|1.735289|1.852117|2.881694|12.053414|35.286557|8.876247|12.165828|20.298150|36.858105| |4.073413|4.692868|0.131196|3.619845|6.105524|4.143690|2.516973|2.335013|2.003598|1.868796|1.975894|3.093226|12.847641|49.689582|13.964893|11.908372|11.915192|13.904186|53.358707| |3.414902|3.898705|0.104746|3.258647|5.788497|3.721577|2.329058|2.225565|1.926488|1.778253|1.846012|2.842921|12.342730|42.343643|7.560044|7.267750|7.283765|7.574570|18.128529|36.858105| |3.267321|3.525042|0.091374|3.017185|5.512474|3.432144|2.179065|2.117675|1.843657|1.691596|1.737577|2.651378|11.821689|36.748831|5.729374|5.905963|5.844610|5.550092|10.647476|13.735911|36.858105| |2.725019|2.928660|0.076038|2.638067|4.933595|3.051490|1.987858|1.969548|1.738259|1.590043|1.613019|2.425700|11.241022|28.742459|4.132683|4.524795|4.503858|4.075144|7.000638|7.942994|13.761860|36.858105| |2.444737|2.695736|0.071265|2.488576|4.657308|2.924179|1.928812|1.920576|1.708597|1.565851|1.582908|2.364808|11.130147|25.889896|3.693123|4.115654|4.129279|3.712292|6.195826|6.915314|7.967372|13.752057|36.858105| |2.504291|2.851990|0.077069|2.619904|4.823273|3.098125|2.031532|2.001343|1.775136|1.634783|1.664348|2.498707|11.568453|27.628458|4.064176|4.497457|4.544610|4.156364|7.000333|7.950739|6.859731|7.901360|13.748410|36.858105| |2.906836|3.395349|0.093211|2.991791|5.363515|3.500431|2.237911|2.158360|1.888616|1.746374|1.802796|2.748471|12.208050|34.527479|5.551386|5.844934|5.931287|5.754371|10.637487|13.745527|7.913618|6.853308|7.962379|13.766035|36.858105| |2.040734|2.212453|0.058596|2.106329|3.978559|2.525715|1.705994|1.724166|1.561081|1.432547|1.432513|2.107393|10.335859|19.982528|2.775460|3.231120|3.241647|2.789519|4.383594|4.247570|4.783322|7.063752|11.010417|7.061276|4.781831|448.794386| |2.840552|3.031964|0.088209|2.503504|4.218359|3.070141|1.946254|1.810899|1.607749|1.535027|1.626255|2.484868|10.838928|25.932853|5.291884|7.253761|10.598683|12.787047|10.201230|6.124131|4.906288|3.896675|3.652875|4.064945|5.247461|22.570190|36.858105| |2.657083|2.717208|0.076862|2.272347|3.884160|2.781744|1.781961|1.675549|1.496384|1.425986|1.500086|2.274059|10.140408|22.947524|4.350525|5.883452|7.738432|7.637804|7.830507|5.242229|4.911503|3.982544|3.551560|3.658160|4.333925|22.488703|12.643175|53.358707| |2.785264|2.840568|0.078600|2.375496|4.112487|2.862380|1.830208|1.733903|1.541527|1.457195|1.523989|2.312086|10.334754|24.846402|4.625105|5.895372|7.217441|7.298868|8.626419|6.206317|6.294787|4.883185|4.112501|4.072220|4.784696|25.234906|9.313383|25.683238|0.500000| |2.725681|2.676702|0.076009|2.218326|3.746824|2.744827|1.756245|1.638804|1.466946|1.407144|1.489094|2.259360|10.017528|21.413552|4.003532|5.813906|7.634169|6.212358|6.420273|4.061213|3.941278|3.242357|2.865918|2.904041|3.372343|18.851661|7.591168|17.165105|0.257582|36.858105| |2.441997|2.346647|0.065309|1.991692|3.414148|2.469500|1.601779|1.511932|1.363389|1.305853|1.371006|2.060906|9.370074|18.597214|3.236328|4.544420|5.408021|4.313975|5.023691|3.412678|3.550858|3.059732|2.667258|2.601699|2.882873|18.128849|4.950662|10.403313|0.199235|12.509112|36.858105| |2.067027|2.023288|0.056452|1.757780|3.038689|2.197837|1.444550|1.373888|1.249845|1.199435|1.252890|1.866434|8.681131|16.069890|2.718613|3.753906|4.415419|3.588405|4.263559|3.034996|3.150846|2.857491|2.566774|2.497480|2.684966|17.949479|4.366455|8.823422|0.164850|7.547635|12.459328|36.858105| |2.037622|2.043110|0.056903|1.786115|3.112701|2.219328|1.460331|1.396475|1.268901|1.212166|1.260826|1.876982|8.768270|16.710346|2.826893|3.783367|4.454844|3.830207|4.625225|3.452934|3.585631|3.324009|3.027164|2.937822|3.111611|21.002987|4.963793|10.393641|0.199277|6.505355|7.585087|12.457512|36.858105| |2.199477|2.255293|0.063712|1.948026|3.365062|2.417138|1.577047|1.496859|1.352951|1.293554|1.352665|2.026236|9.302717|18.711516|3.306091|4.440566|5.493445|4.996708|5.663481|4.140116|3.999907|3.568042|3.330103|3.398006|3.760553|22.154076|7.657748|17.217647|0.259206|7.655043|6.508591|7.537427|12.498969|36.858105| |17.557094|8.828411|0.211749|6.913756|9.409002|8.667301|4.623758|3.805000|3.074528|2.899500|3.251829|5.572709|18.601240|35.974565|4.423345|6.383456|4.885249|3.133761|4.611355|2.887034|2.758912|2.359876|2.152364|2.211342|2.530346|14.713546|2.530092|3.228104|0.068059|2.460925|2.223744|1.902107|1.860998|1.998132|0.500000| |17.595011|8.799257|0.173183|6.966054|11.187110|7.154494|4.032602|3.657865|2.933993|2.648317|2.813566|4.614925|17.262473|45.116412|4.891682|6.288770|4.851311|3.293859|5.138502|3.324234|3.316138|2.806480|2.483031|2.486332|2.821714|16.781788|2.647366|3.451909|0.075060|2.585497|2.375382|2.020614|1.996550|2.121848|0.300638|0.500000| |17.621188|8.815714|0.213072|5.521786|8.184027|6.271353|3.496196|3.044353|2.520746|2.364580|2.584697|4.249360|15.675484|44.828938|6.251334|9.315673|6.639664|4.145956|6.134698|3.617522|3.460130|2.816692|2.492121|2.547806|2.995446|16.536569|3.180248|4.081575|0.087016|3.156733|2.789810|2.303107|2.240623|2.424698|0.301877|0.299598|0.500000| |5.974590|7.602064|0.233336|9.381880|10.817185|26.014722|9.497232|5.778917|4.359458|4.229862|5.264691|11.275271|24.724483|32.670151|3.868057|5.414450|4.281658|2.810601|4.155859|2.675629|2.440917|2.152566|2.062414|2.198624|2.509565|14.265368|2.314286|2.833378|0.058863|2.075012|1.850980|1.641633|1.647285|1.802551|0.188758|0.137123|0.133458|0.500000| |3.799418|4.402869|0.107967|6.779042|14.875885|9.436699|8.866676|17.835172|8.895345|5.659692|5.028455|7.757897|31.459466|26.822698|2.866971|3.612665|3.054225|2.175104|3.357359|2.386711|2.293384|2.142607|2.082258|2.153081|2.307498|14.983918|1.872700|2.368150|0.050454|1.690045|1.563961|1.420001|1.450124|1.551345|0.105613|0.109228|0.087273|0.142586|0.500000| |2.630698|2.870052|0.075023|3.720062|7.126566|5.648154|5.686416|8.928321|17.743088|8.915417|5.678365|6.782851|53.174692|18.079982|2.109098|2.737249|2.404832|1.713747|2.561462|1.835622|1.773782|1.692881|1.669829|1.722452|1.808656|12.395764|1.520710|1.938940|0.040889|1.391946|1.302497|1.200175|1.221658|1.296228|0.075530|0.074490|0.063680|0.098917|0.213427|0.500000| |2.670453|2.869052|0.081905|3.397033|5.499278|6.026849|5.903321|5.020589|5.672115|8.908749|17.738603|12.694062|53.406867|16.657991|2.098581|2.900122|2.557920|1.750597|2.507863|1.716531|1.614271|1.500436|1.475089|1.552496|1.680083|10.757175|1.550039|1.947885|0.040160|1.427193|1.315186|1.205630|1.209423|1.296463|0.081945|0.070103|0.066179|0.125399|0.108849|0.124268|0.500000| |3.563468|3.662533|0.093385|3.069080|5.572016|3.474685|2.192489|2.121493|1.842833|1.692692|1.743438|2.667896|11.810963|36.949220|5.782516|6.126290|5.972234|5.409623|9.779667|8.908087|17.712809|8.916834|5.656306|4.945456|5.636586|31.642323|4.659312|6.752465|0.180758|4.245354|3.919604|3.329087|3.637515|3.906454|0.082463|0.102116|0.107322|0.068840|0.063753|0.049145|0.045007|0.500000| |2.562664|2.678973|0.069020|2.446546|4.613320|2.848100|1.874783|1.872747|1.664279|1.521108|1.534580|2.292300|10.821347|25.187448|3.533872|3.995776|3.963169|3.461083|5.671542|5.645264|8.905570|17.754900|8.920416|5.635515|4.944904|53.946253|3.350717|4.850558|0.120560|3.016361|2.965618|2.790651|3.199699|3.268884|0.062132|0.074576|0.073427|0.055676|0.056689|0.045297|0.039698|0.214420|0.500000| |2.257662|2.576180|0.070374|2.420000|4.454451|2.914813|1.940031|1.920949|1.721962|1.591651|1.614501|2.403333|11.348963|23.877733|3.457890|3.962086|4.012603|3.550215|5.670884|5.649848|4.948235|5.635947|8.920425|17.756102|8.911763|53.929020|3.545074|4.319324|0.095007|2.571019|2.319125|2.263542|2.650372|3.047028|0.056226|0.062055|0.063278|0.057514|0.057108|0.046598|0.041967|0.107453|0.124169|0.500000| |2.854461|3.411449|0.096806|3.016801|5.297876|3.597735|2.298862|2.192316|1.922100|1.791595|1.863432|2.847640|12.507199|33.135392|5.463532|6.004563|6.142976|5.766702|9.767441|8.915043|5.637367|4.942859|5.654144|8.915697|17.726899|31.634086|5.226869|5.499753|0.117304|3.211920|2.697652|2.523048|2.882698|3.541980|0.069943|0.075407|0.081332|0.072404|0.064349|0.050820|0.048399|0.124093|0.107408|0.214461|0.500000| |2.609335|2.841959|0.082049|2.408997|4.116877|2.953897|1.892233|1.778136|1.584545|1.508039|1.586770|2.409694|10.688242|24.849987|4.768101|6.146790|7.974109|8.911728|9.360404|6.579031|5.072981|4.206681|4.148478|4.834702|6.292500|25.219094|17.643361|12.390553|0.218711|5.590628|4.157811|3.929404|4.769116|7.426898|0.064783|0.068342|0.079075|0.061267|0.051272|0.041835|0.041955|0.125198|0.098009|0.117385|0.175947|0.500000| |2.660345|2.819818|0.083733|2.347442|3.912718|2.939703|1.874550|1.732048|1.548530|1.493060|1.591624|2.425345|10.589810|22.897079|4.523252|6.678438|10.041653|9.060022|7.698979|4.637694|3.848745|3.195168|3.057779|3.400988|4.219973|19.695469|17.656733|12.358832|0.181835|7.164420|4.652958|4.203432|4.552178|6.817582|0.067159|0.068149|0.082703|0.062307|0.049260|0.040582|0.042457|0.103427|0.078262|0.085487|0.122081|0.300284|0.500000| |2.520555|2.493712|0.072070|2.086595|3.499140|2.624192|1.688815|1.568688|1.412701|1.365665|1.451428|2.195468|9.763762|19.417688|3.588792|5.384749|7.209467|5.518473|5.591593|3.529869|3.328029|2.815767|2.569193|2.652756|3.065741|17.217142|7.020796|12.433508|0.181810|17.607550|8.780077|6.807883|5.784630|7.064219|0.064341|0.065725|0.080349|0.055573|0.044594|0.037175|0.038880|0.096751|0.072737|0.066595|0.083510|0.146304|0.219043|0.500000| |3.192358|3.081245|0.087622|2.481838|4.141858|3.048402|1.922437|1.778092|1.578185|1.511916|1.608787|2.464028|10.674175|24.397448|4.748217|7.193945|9.607741|7.182136|7.295130|4.295136|4.123284|3.274630|2.854999|2.903984|3.445999|18.566815|7.148457|12.329916|0.221589|17.668640|8.744954|5.479124|4.874445|5.599638|0.079107|0.082995|0.106070|0.064342|0.050920|0.041373|0.042704|0.127383|0.084261|0.070926|0.091415|0.143943|0.183870|0.302200|0.500000| |2.403977|2.266320|0.063258|1.927831|3.285579|2.412839|1.569197|1.476038|1.335390|1.285266|1.353416|2.031588|9.242911|17.409909|2.980985|4.291765|5.009246|3.776697|4.432830|2.963996|3.060143|2.662033|2.343266|2.295227|2.535254|16.179791|4.122329|7.595003|0.145350|8.986534|17.580083|8.787412|5.506146|4.885738|0.061596|0.064803|0.076716|0.050505|0.042201|0.035387|0.036196|0.094213|0.072276|0.057460|0.066779|0.096878|0.112229|0.213665|0.212427|0.500000| |2.565501|2.442793|0.066765|2.073975|3.590612|2.540519|1.645564|1.562956|1.404320|1.335927|1.395646|2.099522|9.563340|19.697847|3.360973|4.569896|5.219428|4.233877|5.220578|3.638994|3.988866|3.416829|2.876190|2.730760|2.996749|19.436669|4.592570|9.334683|0.209660|8.868688|17.513270|8.809065|6.760331|5.671891|0.064139|0.070492|0.081342|0.052440|0.045228|0.037364|0.037007|0.127576|0.093774|0.066728|0.076152|0.110135|0.114276|0.173054|0.213401|0.304136|0.500000| |1.955271|1.919729|0.054140|1.673659|2.875477|2.114614|1.394428|1.321209|1.206836|1.164938|1.220853|1.814902|8.457985|14.987182|2.537633|3.573592|4.244789|3.363345|3.920627|2.746753|2.772251|2.523840|2.318943|2.299218|2.481013|16.367410|4.130517|7.682688|0.135587|6.764362|8.846383|17.531380|8.842691|6.743899|0.050493|0.052649|0.060378|0.044132|0.037716|0.032143|0.032781|0.080198|0.067935|0.058704|0.066069|0.103148|0.116919|0.199046|0.138829|0.215141|0.173375|0.500000| |1.936421|1.879361|0.052022|1.651042|2.872672|2.067900|1.368453|1.308925|1.195621|1.146690|1.192851|1.768519|8.335199|14.822361|2.437512|3.338396|3.806922|3.048678|3.750156|2.714765|2.883410|2.678938|2.400150|2.295790|2.419702|17.174924|3.544460|6.638686|0.132276|5.505396|8.833669|17.592477|8.843936|5.503928|0.049732|0.053131|0.059493|0.042740|0.037624|0.032007|0.031899|0.085286|0.074383|0.058126|0.062887|0.090879|0.094460|0.139218|0.122939|0.209197|0.215153|0.303665|0.500000| |1.831205|1.844790|0.051496|1.635110|2.857901|2.047426|1.358960|1.304300|1.192765|1.142303|1.185219|1.753973|8.312965|14.942345|2.475138|3.316024|3.848239|3.248986|3.982611|3.009939|3.098441|2.972004|2.791737|2.719362|2.813232|20.030585|4.137951|7.593139|0.145414|4.887889|5.505687|8.783331|17.578983|8.977076|0.046860|0.049910|0.055326|0.042186|0.037546|0.031989|0.031668|0.085768|0.080081|0.069648|0.073274|0.114964|0.109202|0.129805|0.107541|0.123093|0.138476|0.215089|0.209283|0.500000| |2.082962|2.085749|0.057328|1.830496|3.222526|2.253589|1.483535|1.428084|1.294880|1.229511|1.272395|1.893654|8.883337|17.356427|2.881466|3.754842|4.298425|3.743667|4.746590|3.688625|4.038800|3.827183|3.384370|3.161060|3.275191|23.457286|4.599781|9.315876|0.209396|5.659211|6.758530|8.812532|17.517158|8.880008|0.052454|0.057383|0.063310|0.046108|0.041458|0.034740|0.033765|0.114622|0.104505|0.078024|0.081947|0.125706|0.112118|0.132539|0.126679|0.138514|0.196604|0.173394|0.215572|0.304052|0.500000| 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