Version2.1 2021-01-09T07:43:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCN(CCC)C(=O)c1ccc(cc1)NC(=S)NC(=O)c2ccc(cc2)O[C@@H](C)CC C14834520 RHF 6-31G(d) (6D,7F) CCCN(CCC)C(=O)c1ccc(cc1)NC(=S)NC(=O)c2ccc(cc2)O[C@@H](C)CC C01[X(C25H33N3O3S1)] 189 C1 550 CCCN(C(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)O[C@H](CC)C)CCC CCCN(C(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)O[C@H](CC)C)CCC CCCN(CCC)C(=O)c1ccc(NC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)cc1 InChIKey=DBUNDNVTDIIJMK-SFHVURJKSA-N InChI=1S/C25H33N3O3S/c1-5-16-28(17-6-2)24(30)20-8-12-21(13-9-20)26-25(32)27-23(29)19-10-14-22(15-11-19)31-18(4)7-3/h8-15,18H,5-7,16-17H2,1-4H3,(H2,26,27,29,32)/t18-/m0/s1 InChI=1/C25H33N3O3S/c1-5-16-28(17-6-2)24(30)20-8-12-21(13-9-20)26-25(32)27-23(29)19-10-14-22(15-11-19)31-18(4)7-3/h8-15,18H,5-7,16-17H2,1-4H3,(H2,26,27,29,32)/t18-/m0/s1/f/h26-27H CCCN(CCC)C(=O)c1ccc(cc1)NC(=S)NC(=O)c2ccc(cc2)O[C@@H](C)CC C01[X(C25H33N3O3S1)] 189 C01 550 CCCN(C(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)O[C@H](CC)C)CCC CCCN(C(=O)[C]1[CH][CH][C]([CH][CH]1)NC(=S)NC(=O)[C]1[CH][CH][C]([CH][CH]1)O[C@H](CC)C)CCC CCCN(CCC)C(=O)[C]1[CH][CH][C]([CH][CH]1)NC(=S)NC(=O)[C]2[CH][CH][C]([CH][CH]2)O[C@@H](C)CC InChIKey=DBUNDNVTDIIJMK-SFHVURJKSA-N InChI=1S/C25H33N3O3S/c1-5-16-28(17-6-2)24(30)20-8-12-21(13-9-20)26-25(32)27-23(29)19-10-14-22(15-11-19)31-18(4)7-3/h8-15,18H,5-7,16-17H2,1-4H3,(H2,26,27,29,32)/t18-/m0/s1 InChI=1/C25H33N3O3S/c1-5-16-28(17-6-2)24(30)20-8-12-21(13-9-20)26-25(32)27-23(29)19-10-14-22(15-11-19)31-18(4)7-3/h8-15,18H,5-7,16-17H2,1-4H3,(H2,26,27,29,32)/t18-/m0/s1/f/h26-27H 3078.2022405961 -1751.401946 1-A 37032.3334 122 428 550 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.87765 -20.60049 -20.54572 -20.51866 -15.62173 -15.62135 -15.58346 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.5114 11.7168 14.6245 24.7547 26.7859 38.4177 40.5392 48.0073 57.4247 60.2344 70.7182 76.4839 96.3412 105.4986 111.2171 117.7417 123.3514 128.9349 133.8129 148.7006 177.9731 192.6365 225.8893 239.4652 240.8316 250.0028 253.7990 258.2521 268.7473 280.0645 306.2585 318.3727 339.2038 346.9954 365.0378 375.8007 383.7999 414.6197 430.9285 441.8824 456.7008 461.9370 467.2458 469.3149 500.5992 526.3569 533.6795 541.3294 546.4746 590.5267 618.8582 638.2901 678.0297 693.2239 695.4707 709.0630 746.8479 769.8386 771.8362 798.0979 806.0674 810.1259 828.3124 831.5678 851.9915 867.4171 899.1425 912.1080 920.6212 932.0174 947.4883 949.2069 952.1442 957.1827 969.0673 974.7348 982.5738 1002.4898 1021.0687 1041.4876 1078.0323 1092.0408 1093.7426 1095.5097 1102.6039 1106.2884 1111.4082 1112.0521 1113.4083 1120.8095 1132.5434 1187.9302 1193.9762 1212.6670 1219.2653 1220.5469 1222.3867 1229.5049 1232.1875 1265.6303 1284.4110 1293.9623 1298.6174 1299.5102 1316.1428 1324.4992 1328.9730 1356.6238 1368.5501 1377.4993 1398.2099 1421.7322 1426.2723 1426.7219 1445.9229 1450.5138 1457.1672 1457.6500 1461.0823 1467.5274 1469.5647 1475.1128 1524.4705 1558.1319 1558.4145 1559.9349 1565.0915 1567.2744 1568.2959 1572.1359 1572.7514 1576.7486 1594.6441 1626.1645 1633.4177 1636.3142 1639.3159 1641.6074 1642.8211 1644.7587 1645.3191 1646.3302 1652.9115 1653.1913 1656.3817 1661.9465 1672.7864 1687.3523 1700.3809 1722.4037 1765.7430 1775.1654 1807.6639 1824.2470 1907.8707 2011.4604 3196.0930 3200.3077 3202.3926 3203.5078 3208.3381 3216.6600 3217.1486 3219.1841 3230.0397 3240.8567 3245.0929 3247.8735 3249.2401 3265.5398 3267.3073 3268.6376 3271.2274 3279.1924 3282.6529 3290.1810 3292.5630 3313.0357 3317.5143 3370.2499 3375.6463 3388.1634 3399.3827 3399.4967 3401.7281 3404.8162 3419.6679 3832.1657 3862.6980 5.0164 4.5085 4.4839 4.8583 4.6969 4.4589 4.7742 4.4296 4.1841 3.1730 3.3700 4.2440 2.8269 2.1784 4.1114 2.9141 2.3822 3.8527 3.5683 5.1236 3.6579 5.3188 2.8324 1.2067 2.4605 1.5293 1.3056 1.6395 2.2321 3.0116 3.9165 3.0663 3.5898 5.2402 4.2527 4.2085 2.7353 1.7257 2.6331 3.2587 4.5001 2.9582 3.0648 3.4882 4.4018 3.2198 1.3679 4.1817 2.8132 3.1387 4.6228 3.9601 7.2702 6.6475 6.9338 5.2600 4.3144 3.2605 3.6274 1.1131 1.5688 2.7927 3.4106 2.1443 4.3354 4.6079 1.9313 2.4392 3.1669 1.2573 1.5676 1.2578 1.3045 1.7693 1.6484 1.7637 2.2613 6.5517 2.2758 3.2748 1.3543 1.4058 1.3650 1.7052 1.4018 2.5582 1.3890 2.6718 2.6834 2.5783 2.8087 2.7992 2.3385 2.1513 1.6552 1.9953 1.9023 1.8832 2.0274 2.0674 3.3598 1.4016 1.7989 1.5422 2.0208 2.6718 2.4886 2.2015 3.1756 3.8801 1.4451 1.3412 1.4560 2.8597 3.0890 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3.5516 1.2063 0.0151 0.9976 0.5517 0.2761 1.6200 4.9539 1.7168 0.5758 2.2505 1.5846 1.3929 6.7381 16.7964 17.1530 67.6609 21.4575 38.1658 5.8524 3.5363 0.2120 2.5422 1.4575 23.9827 86.5889 13.9919 24.7894 3.9916 31.2985 3.9786 11.0599 2.5287 2.6634 38.3057 18.1430 8.8833 16.8129 3.5471 33.2480 27.4413 7.5401 10.2306 55.5510 6.9133 2.4037 0.2002 13.9882 1.3875 1.4840 0.8630 4.4573 30.7967 20.4095 7.8247 34.7679 42.3325 24.4245 12.3455 8.3418 2.7083 0.4336 13.7732 1.6843 7.6475 1.2111 2.6473 8.0856 18.7015 54.2513 31.9661 24.4805 120.8288 10.4889 15.7883 27.4756 21.5225 10.9371 46.9457 14.3279 503.0060 21.6559 33.2828 48.6437 55.2612 411.0146 32.7164 510.0815 66.4318 82.7782 78.2740 108.7831 372.9067 224.6003 126.0035 7.1511 30.1552 17.4271 2.6510 7.5739 76.5681 26.6650 12.6718 13.2335 24.3771 6.4595 11.9239 2.2957 10.9861 10.5863 1.1669 343.4693 0.7141 1.8344 3.3558 3.2402 4.2076 4.7256 3.1608 4.0102 8.2572 14.5214 34.6540 15.1851 26.7285 562.3536 370.4803 211.7932 109.1368 16.8603 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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 4171.1453 62480.4638 64341.0604 0.99999 0.00463 0.00192 -0.00454 0.99905 -0.04340 -0.00212 0.04339 0.99906 1 0.02077 0.00139 0.00135 0.43267 0.02888 0.02805 7.93 16.86 21.04 35.62 38.54 55.27 58.33 69.07 82.62 86.66 101.75 110.04 138.61 151.79 160.02 169.40 177.48 185.51 192.53 213.95 256.06 277.16 325.00 344.54 346.50 359.70 365.16 371.57 386.67 402.95 440.64 458.07 488.04 499.25 525.21 540.69 552.20 596.55 620.01 635.77 657.09 664.62 672.26 675.24 720.25 757.31 767.85 778.85 786.26 849.64 890.40 918.36 975.53 997.39 1000.63 1020.18 1074.55 1107.63 1110.50 1148.28 1159.75 1165.59 1191.76 1196.44 1225.83 1248.02 1293.67 1312.32 1324.57 1340.97 1363.22 1365.70 1369.92 1377.17 1394.27 1402.43 1413.70 1442.36 1469.09 1498.47 1551.05 1571.20 1573.65 1576.19 1586.40 1591.70 1599.07 1599.99 1601.95 1612.59 1629.48 1709.17 1717.87 1744.76 1754.25 1756.09 1758.74 1768.98 1772.84 1820.96 1847.98 1861.72 1868.42 1869.71 1893.64 1905.66 1912.10 1951.88 1969.04 1981.91 2011.71 2045.56 2052.09 2052.73 2080.36 2086.97 2096.54 2097.23 2102.17 2111.44 2114.38 2122.36 2193.37 2241.80 2242.21 2244.40 2251.82 2254.96 2256.43 2261.95 2262.84 2268.59 2294.34 2339.69 2350.12 2354.29 2358.61 2361.91 2363.65 2366.44 2367.25 2368.70 2378.17 2378.57 2383.16 2391.17 2406.77 2427.72 2446.47 2478.15 2540.51 2554.07 2600.83 2624.68 2745.00 2894.04 4598.46 4604.53 4607.53 4609.13 4616.08 4628.06 4628.76 4631.69 4647.31 4662.87 4668.96 4672.97 4674.93 4698.38 4700.93 4702.84 4706.57 4718.03 4723.01 4733.84 4737.26 4766.72 4773.16 4849.04 4856.80 4874.81 4890.95 4891.12 4894.33 4898.77 4920.14 5513.63 5557.56 0.587819 0.619942 0.620886 0.516816 -1750.814127 -1750.782004 -1750.781060 -1750.885130 3.490525D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE CCCN(CCC)C(=O)c1ccc(cc1)NC(=S)NC(=O)c2ccc(cc2)O[C@@H](C)CC C14834520 RHF 6-31G(d) (6D,10F) C1 455.224264 |X|Y|Z| 185.280599 28.861746 43.248190 61.381876 16 6 7 14 2 |36.858105| |12.463110|36.858105| |7.526752|12.453308|36.858105| |4.946868|7.589474|13.033413|53.358707| |4.129964|5.793220|7.660167|17.760043|36.858105| |3.526587|4.394122|5.882490|10.328013|12.454648|36.858105| |2.944194|3.506789|4.161850|6.735189|7.530384|12.461541|36.858105| |4.200806|6.002267|7.937591|19.087662|7.634503|5.315586|3.912120|36.858105| |4.397062|5.995615|7.136460|11.552457|5.322728|4.095031|3.174780|15.814462|73.516695| |3.184157|4.186782|5.014536|10.484135|6.449212|4.877336|3.861713|12.635920|14.486716|36.858105| |2.866310|3.670695|3.982568|7.282817|4.810775|3.742697|3.207829|7.665271|11.576215|13.708087|36.858105| |2.378524|2.915055|3.134599|5.440274|3.863426|3.236012|2.918737|5.057759|7.986836|7.920429|13.792734|36.858105| |2.186257|2.631656|2.917212|5.058787|3.728877|3.323423|3.044893|4.450926|6.867889|6.865893|7.958328|13.750288|36.858105| |2.314091|2.797789|3.250636|5.822217|4.332896|4.024509|3.569563|5.009379|7.350433|7.923329|6.885808|7.941058|13.778870|36.858105| |2.758018|3.448722|4.234306|8.303136|5.842590|5.166317|4.151085|7.509608|9.857230|13.743494|7.952157|6.880225|7.951718|13.751458|36.858105| |1.880357|2.202683|2.396498|3.968312|2.966964|2.746531|2.614233|3.339588|5.362226|4.535753|5.151321|7.822911|13.358967|7.842000|5.150969|53.358707| |1.749797|2.032736|2.174315|3.543087|2.729577|2.549438|2.518093|2.876557|4.622203|3.713470|4.182970|5.827765|7.704441|5.585098|4.089485|19.167228|36.858105| |1.817211|2.126861|2.244072|3.671823|2.948306|2.720800|2.783226|2.891022|4.559180|3.654715|4.089727|5.283498|6.098275|4.873682|3.893307|9.750890|11.556789|388.023441| |1.560263|1.780266|1.891578|3.003455|2.285493|2.171547|2.153992|2.418001|3.979056|2.988290|3.309199|4.318955|5.257383|4.205873|3.255997|11.538796|13.780839|50.351350|53.358707| |1.424665|1.607167|1.697837|2.654911|2.042291|1.971845|1.995169|2.091261|3.452622|2.502989|2.705467|3.331420|3.886958|3.353697|2.716656|7.267929|7.604348|41.447043|18.536539|36.858105| |1.414196|1.593642|1.686492|2.636286|2.063476|2.017555|2.081761|2.041711|3.339057|2.423096|2.566492|3.080658|3.601013|3.235821|2.654017|6.319607|6.496853|42.217815|11.392063|16.050650|73.516695| |1.303510|1.454125|1.524702|2.345762|1.779676|1.719251|1.728690|1.849399|3.106011|2.165256|2.343688|2.817824|3.153837|2.759621|2.309067|5.588175|5.077094|29.288896|10.686086|12.766260|14.378784|36.858105| |1.204544|1.332135|1.396549|2.127387|1.619351|1.584581|1.606365|1.656952|2.788202|1.906747|2.025690|2.366073|2.632446|2.389358|2.039606|4.441108|3.863182|23.859363|7.105391|7.724508|12.006742|13.735286|36.858105| |1.119325|1.228395|1.281265|1.931437|1.458690|1.426937|1.440544|1.503450|2.555013|1.706211|1.811502|2.083215|2.269450|2.074963|1.805460|3.717017|3.098052|19.482227|5.389187|5.069248|8.073995|7.880897|13.768168|36.858105| |1.112732|1.219499|1.265614|1.901426|1.422365|1.379232|1.380026|1.491267|2.556404|1.687833|1.811870|2.085589|2.231535|2.014486|1.763993|3.636640|2.968090|18.475995|5.121911|4.443488|6.778219|6.812030|7.941665|13.693723|36.858105| |1.189487|1.311226|1.358679|2.052612|1.527409|1.465083|1.455072|1.627117|2.795094|1.859608|2.029802|2.377222|2.524386|2.221662|1.929563|4.193493|3.427924|20.704289|6.090153|5.010802|7.139569|7.904460|6.904878|7.921414|13.652752|36.858105| |1.292005|1.438059|1.496979|2.289962|1.712946|1.635845|1.625219|1.824615|3.104863|2.125069|2.341090|2.818992|3.048631|2.617444|2.220835|5.313711|4.548805|26.127267|8.942648|7.476246|9.418433|13.653557|7.975317|6.872446|7.924167|13.848040|36.858105| |1.040933|1.133138|1.171323|1.744561|1.298945|1.260780|1.259156|1.364913|2.356022|1.526206|1.632440|1.850292|1.953404|1.781330|1.583902|3.102707|2.473479|15.700591|4.083120|3.387281|5.355116|4.610051|5.205882|7.853453|14.222887|8.242744|5.315350|73.516695| |0.974955|1.055866|1.091598|1.617192|1.207524|1.180446|1.184479|1.255559|2.166161|1.392220|1.473524|1.649388|1.743493|1.615211|1.448512|2.726154|2.163147|14.003084|3.483960|2.903548|4.776362|3.731330|4.432764|6.530557|7.853869|5.211774|3.949306|23.830777|36.858105| |0.974677|1.056413|1.091945|1.619628|1.216882|1.192363|1.204139|1.251620|2.149613|1.388438|1.466093|1.640345|1.739059|1.615259|1.447705|2.718603|2.186833|14.362822|3.515206|3.004920|5.050512|3.839973|4.793805|7.208119|7.320994|4.843251|3.870647|16.524517|17.564734|0.500000| |0.958237|1.035316|1.076266|1.591954|1.185470|1.166743|1.167528|1.235017|2.132565|1.366751|1.433217|1.596865|1.702874|1.596865|1.432610|2.653792|2.071124|13.259396|3.316987|2.725889|4.511745|3.404269|4.047321|5.588391|6.005425|4.351071|3.501707|14.021022|12.502588|0.245504|36.858105| |0.924236|0.996315|1.024053|1.507396|1.121908|1.093562|1.095761|1.168909|2.027532|1.284968|1.362152|1.510363|1.574442|1.460279|1.324675|2.421989|1.903978|12.508860|2.993060|2.429967|4.028313|2.992273|3.355224|4.407003|5.275997|4.141123|3.235321|14.361424|12.496112|0.247869|7.527806|36.858105| |0.928208|1.001155|1.023060|1.505059|1.122762|1.088756|1.093883|1.165855|2.021921|1.279754|1.364853|1.512295|1.560746|1.438436|1.309541|2.389941|1.896301|12.670870|2.954991|2.399242|3.994735|2.921736|3.196488|4.026089|4.795276|4.012484|3.189258|11.587035|7.456314|0.193337|4.878012|12.473049|36.858105| |17.540836|8.776325|6.827899|6.226355|3.688253|3.236716|2.682946|4.088051|8.004151|3.092269|2.779640|2.314477|2.134486|2.263950|2.694995|2.505934|1.699438|12.365091|2.075499|1.389736|2.441226|1.277906|1.181638|1.101440|1.097789|1.173787|1.271102|1.829844|0.964042|0.026699|0.950315|0.914589|0.916077|0.500000| |17.526786|8.755725|6.809960|6.234641|4.058688|3.652599|3.084102|3.749165|6.696144|2.931472|2.611388|2.207932|2.067616|2.211988|2.620511|2.439737|1.678910|12.451052|2.043500|1.380381|2.450998|1.261927|1.172295|1.089105|1.078174|1.146742|1.243952|1.793786|0.948551|0.026394|0.933900|0.898623|0.901584|0.301437|0.500000| |17.556845|8.784272|5.478330|5.556661|3.565622|3.047455|2.643459|3.626824|6.794293|2.866370|2.669005|2.243433|2.045831|2.127403|2.481784|2.421085|1.669652|12.392328|2.036437|1.371588|2.418656|1.260792|1.166107|1.087075|1.083512|1.158436|1.254213|1.806677|0.952220|0.026447|0.933174|0.905872|0.912725|0.301930|0.301842|0.500000| |8.847894|17.587826|8.903368|9.418426|5.122298|3.841713|3.129210|6.495157|12.773140|4.472678|4.083103|3.158630|2.764651|2.871870|3.517571|3.130252|2.106722|15.554814|2.508786|1.650877|2.885581|1.498078|1.364120|1.259565|1.257620|1.360618|1.493361|2.077738|1.084351|0.030059|1.060895|1.024533|1.030915|0.210975|0.172720|0.212066|0.500000| |8.858589|17.519835|8.835407|9.427177|6.268266|4.585954|3.815804|5.343390|8.837020|4.022766|3.601384|2.903916|2.623618|2.766564|3.354080|3.003886|2.067954|15.726977|2.452863|1.635179|2.901328|1.472544|1.349743|1.241211|1.228478|1.319193|1.450063|2.025615|1.062514|0.029627|1.038206|1.002350|1.010556|0.172969|0.210455|0.212781|0.302944|0.500000| |6.919415|8.846433|17.577511|12.554284|7.411897|6.694094|4.642044|5.845715|9.194120|4.220234|3.396548|2.788551|2.669376|3.010519|3.827835|3.040486|2.051637|15.154900|2.444836|1.629837|2.902575|1.463668|1.350755|1.239642|1.218377|1.299234|1.427593|2.006847|1.057122|0.029445|1.044457|0.991374|0.989392|0.170441|0.205266|0.141010|0.174249|0.210987|0.500000| |6.890751|8.865772|17.637450|12.524214|5.700386|4.841023|3.538333|7.481228|13.945810|4.761330|3.805263|3.020591|2.824137|3.151465|4.079858|3.177403|2.093507|15.035145|2.504336|1.647876|2.891022|1.490834|1.366834|1.259372|1.248302|1.340582|1.471044|2.059846|1.079729|0.029900|1.068478|1.013876|1.009661|0.204768|0.168966|0.140807|0.214007|0.173765|0.303378|0.500000| |3.493048|4.738790|5.661672|12.451566|17.648760|8.870703|6.924151|7.355369|9.017186|7.658954|5.777455|4.660247|4.495898|5.197195|6.940128|4.717031|3.192557|25.128677|3.534919|2.292716|4.122104|1.966284|1.771087|1.580655|1.538170|1.661109|1.883987|2.479010|1.289741|0.036160|1.261245|1.193323|1.196238|0.088107|0.093766|0.086841|0.125164|0.143005|0.146451|0.127814|0.500000| |4.544970|6.473380|7.302335|12.508493|17.537047|8.878290|6.958173|6.002528|8.251411|5.039298|4.161112|3.409454|3.221497|3.565555|4.466371|3.600070|2.490066|19.487613|2.872367|1.909124|3.440776|1.676473|1.532592|1.387390|1.355037|1.451619|1.618609|2.208940|1.158108|0.032473|1.132869|1.081095|1.086764|0.107231|0.125792|0.110633|0.151241|0.223117|0.204317|0.145335|0.305319|0.500000| |3.873115|4.628914|6.415767|9.422408|8.831961|17.545563|8.859822|4.785348|6.937301|4.128803|3.255765|2.815264|2.855283|3.378932|4.241759|3.276207|2.237735|16.769496|2.644048|1.777572|3.222851|1.570939|1.457704|1.323735|1.283331|1.358325|1.503088|2.098906|1.109605|0.031086|1.099387|1.032282|1.026998|0.098751|0.115898|0.090772|0.107905|0.131071|0.234325|0.146946|0.173815|0.211360|0.500000| |3.154455|3.848543|5.202950|9.375822|8.858385|17.557651|8.848033|5.382276|7.360205|5.244918|3.877708|3.408725|3.636410|4.669528|6.176979|4.054746|2.710097|20.012621|3.136769|2.077058|3.767227|1.803441|1.659791|1.489566|1.436579|1.526300|1.709665|2.327779|1.224453|0.034297|1.216158|1.129228|1.118530|0.083072|0.089316|0.076113|0.097019|0.107143|0.155912|0.128480|0.212128|0.174026|0.304493|0.500000| |2.670985|3.204551|3.702155|6.223569|6.823604|8.766649|17.542935|3.841727|5.508693|4.048969|3.429062|3.203795|3.407881|3.991829|4.465934|3.986765|2.862743|23.136223|3.275213|2.226043|4.169957|1.897586|1.754419|1.557773|1.484624|1.568236|1.767756|2.391431|1.261713|0.035732|1.239785|1.161826|1.161212|0.068094|0.076030|0.067685|0.081989|0.096903|0.108903|0.088951|0.205644|0.171061|0.172929|0.210418|0.500000| |3.073861|3.623512|4.079970|6.244606|6.822830|8.765843|17.536455|3.607511|5.327497|3.463247|2.975496|2.694620|2.737394|3.089131|3.542224|3.236041|2.318396|18.458283|2.722112|1.866003|3.459602|1.630258|1.518921|1.369593|1.316105|1.386484|1.540707|2.143536|1.136218|0.032116|1.115840|1.056273|1.059052|0.076104|0.090750|0.077554|0.088412|0.113884|0.127958|0.094570|0.170205|0.207036|0.210520|0.172807|0.301610|0.500000| |2.656397|3.044635|3.601867|5.557495|5.480773|8.787084|17.560445|3.347657|4.981374|3.318115|2.792858|2.593467|2.750795|3.235002|3.655172|3.292432|2.338528|18.084753|2.770344|1.907302|3.557080|1.662142|1.560028|1.402677|1.337887|1.400267|1.555694|2.175329|1.157239|0.032713|1.146129|1.069751|1.064265|0.068319|0.078205|0.066476|0.075857|0.089940|0.113142|0.088206|0.141169|0.141636|0.213086|0.212505|0.301814|0.301949|0.500000| |3.044416|3.925304|4.010736|6.918879|4.430745|3.394619|2.932246|7.168584|12.211743|8.928704|17.741169|8.933685|5.656089|4.960865|5.658393|5.681126|3.569744|25.385049|3.990204|2.448461|4.127806|2.164987|1.883244|1.703832|1.718315|1.925539|2.192082|2.776396|1.411367|0.038947|1.367313|1.315806|1.325437|0.081849|0.075402|0.079995|0.127323|0.106562|0.093140|0.106528|0.140852|0.112111|0.084305|0.094695|0.085477|0.077611|0.071073|0.500000| |2.203094|2.650465|2.760900|4.589355|3.277565|2.779598|2.566685|4.121362|6.833234|5.634460|8.911288|17.742789|8.939515|5.655746|4.957774|9.796402|5.884273|37.816017|6.150705|3.458817|5.559805|2.973538|2.456980|2.173130|2.206500|2.561100|3.055828|3.475051|1.724746|0.047528|1.652704|1.584685|1.598102|0.059576|0.056712|0.058623|0.080388|0.073786|0.068681|0.074135|0.107088|0.083205|0.068381|0.079965|0.077910|0.067046|0.063951|0.214596|0.500000| |2.114949|2.499422|2.905801|5.010272|3.816339|3.793074|3.476674|4.076648|6.151895|5.637585|4.959060|5.650566|8.936422|17.722513|8.904363|9.811867|5.455660|32.964197|5.842827|3.500581|6.102175|2.853836|2.502332|2.155481|2.063221|2.246527|2.644900|3.230410|1.656734|0.046137|1.651984|1.486170|1.453245|0.057648|0.056891|0.054081|0.070207|0.068807|0.076725|0.078726|0.122733|0.088606|0.089417|0.125052|0.108470|0.082579|0.090408|0.107665|0.124436|0.500000| |2.820408|3.475079|4.490689|8.674978|6.158704|6.126989|4.622804|6.910275|9.196207|8.910090|5.649303|4.957957|5.661242|8.946262|17.743455|5.690938|3.473829|23.817046|3.907776|2.466965|4.344392|2.119732|1.905530|1.696722|1.648993|1.781523|2.025966|2.647991|1.374055|0.038195|1.367480|1.258276|1.239816|0.076921|0.075766|0.069410|0.095277|0.092992|0.116814|0.121313|0.184681|0.126772|0.139058|0.230200|0.133101|0.105682|0.115357|0.124280|0.107643|0.215496|0.500000| |1.783736|2.062991|2.256403|3.673199|2.701401|2.551218|2.413479|3.086319|5.055050|4.053821|4.428976|6.127001|9.233628|6.871779|4.679092|26.003484|9.472700|38.407822|11.014173|5.236032|7.886819|4.215632|3.367885|2.837716|2.786683|3.213648|4.044073|4.222240|2.080375|0.057148|2.051982|1.835533|1.788431|0.048940|0.047331|0.046808|0.059720|0.056859|0.058671|0.061914|0.085377|0.066931|0.062987|0.077667|0.073962|0.060887|0.062978|0.102237|0.159124|0.192169|0.109643|0.500000| |1.533850|1.742349|1.851035|2.918611|2.179243|2.066159|2.019730|2.378152|3.972613|2.922776|3.258072|4.247283|5.062346|4.035864|3.157276|10.989967|9.405245|38.456415|26.045753|9.351628|10.945461|7.590292|5.041455|4.010007|3.979220|4.940177|7.366668|5.644412|2.657750|0.073031|2.550181|2.280905|2.228647|0.041914|0.040855|0.040865|0.050387|0.048581|0.048609|0.050496|0.068013|0.055823|0.051782|0.061113|0.061823|0.052155|0.053153|0.080750|0.125253|0.113512|0.077390|0.247716|0.500000| |1.201009|1.327580|1.396879|2.129348|1.635264|1.615784|1.653924|1.643778|2.748272|1.887471|1.979585|2.291690|2.576802|2.385443|2.038564|4.288491|3.748805|23.895384|6.580093|7.248762|13.420952|8.969905|17.747236|8.942165|5.651001|4.970972|5.670302|7.449930|3.839637|0.118154|3.631424|2.986102|2.850097|0.032659|0.032606|0.032238|0.037550|0.037464|0.037736|0.037866|0.049663|0.042981|0.041230|0.047063|0.050371|0.043349|0.044861|0.050905|0.065132|0.070316|0.053338|0.089596|0.124210|0.500000| |1.062956|1.160895|1.210792|1.815404|1.373713|1.352898|1.371595|1.403565|2.386457|1.578947|1.660653|1.884506|2.048610|1.903160|1.672860|3.288250|2.705850|17.412918|4.526159|4.152343|7.012654|5.642368|8.979066|17.778436|8.849839|5.624846|4.956805|12.412060|7.165349|0.248085|6.378770|4.640636|4.097642|0.029061|0.028821|0.028688|0.032946|0.032597|0.032681|0.033068|0.041127|0.036388|0.034999|0.039184|0.041066|0.036286|0.037299|0.043496|0.054156|0.055161|0.044050|0.069580|0.092516|0.217281|0.500000| |1.172827|1.289012|1.328983|1.997036|1.474609|1.407044|1.389353|1.589305|2.753637|1.803623|1.980665|2.302088|2.395957|2.104427|1.849733|3.897310|3.099268|18.925267|5.261204|4.068043|5.953279|5.621110|4.971026|5.654484|8.952908|17.743992|8.907298|13.574721|4.865600|0.120536|4.060939|4.182505|4.124171|0.032224|0.031319|0.031814|0.037308|0.035931|0.035195|0.036537|0.044363|0.039035|0.036385|0.040606|0.041363|0.036900|0.037074|0.052727|0.069534|0.058482|0.047406|0.082848|0.120115|0.107873|0.124026|0.500000| |1.367370|1.530522|1.588829|2.442175|1.815022|1.711733|1.686517|1.968450|3.359486|2.314118|2.605116|3.203525|3.402699|2.826529|2.388900|6.011970|5.087563|28.341548|9.802962|6.823343|8.630507|8.851989|5.650258|4.952532|5.656066|9.021140|17.716050|7.658190|3.316750|0.089586|2.986813|2.847701|2.852623|0.037373|0.036378|0.036894|0.044451|0.042814|0.041789|0.043380|0.055732|0.047571|0.043579|0.049630|0.050959|0.044433|0.044504|0.067892|0.099201|0.077724|0.059702|0.125461|0.240420|0.124245|0.107601|0.216487|0.500000| |0.913859|0.983918|1.022056|1.505939|1.123378|1.109881|1.114027|1.162438|2.007171|1.278863|1.333857|1.474495|1.569354|1.483840|1.340244|2.418978|1.884275|12.232005|2.968043|2.433843|4.111024|2.941969|3.491066|4.565781|4.618339|3.529729|2.962456|10.098771|8.834327|0.212850|17.555995|6.798224|4.535323|0.025170|0.024797|0.024738|0.027935|0.027427|0.027634|0.028176|0.033088|0.029891|0.029131|0.032082|0.032786|0.029630|0.030474|0.035413|0.042204|0.042695|0.035717|0.051695|0.062677|0.090426|0.150219|0.092355|0.071523|0.500000| |0.993877|1.076832|1.124946|1.670981|1.246873|1.231419|1.233002|1.296725|2.230405|1.442938|1.507908|1.688357|1.822014|1.713452|1.524995|2.867427|2.242721|14.188804|3.638629|3.029479|5.008483|3.821428|4.714685|6.580415|6.397741|4.570543|3.794459|12.597757|8.771922|0.209651|17.580214|5.476830|4.038031|0.027373|0.026928|0.026810|0.030607|0.029988|0.030347|0.031015|0.036927|0.032971|0.032148|0.035801|0.036467|0.032599|0.033671|0.039698|0.048287|0.049639|0.040459|0.062062|0.077744|0.117952|0.214824|0.113270|0.088286|0.301414|0.500000| 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