Version2.0 2020-07-20T14:24:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@@H]2COc3ccccc3N2C(=O)CN4C(=O)[C@H](NC4=O)CC5=c6ccccc6=[NH+]C5 C63830662 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@@H]2COc3ccccc3N2C(=O)CN4C(=O)[C@H](NC4=O)CC5=c6ccccc6=[NH+]C5 C01[X(C28H25N4O4)] 177 C1 590 O=C1N[C@@H](C(=O)N1CC(=O)N1[C@@H](COc2c1cccc2)c1ccccc1)CC1=c2ccccc2=[NH+]C1 O=C1N[C@@H](C(=O)N1CC(=O)N1[C@@H](COc2c1cccc2)c1ccccc1)CC1=c2ccccc2=[NH+]C1 O=C(CN1C(=O)N[C@H](CC2=C3C=CC=CC3=[NH+]C2)C1=O)N4[C@@H](COc5ccccc45)c6ccccc6 InChIKey=CHLHWMMPSKUJDM-VWNXMTODSA-O InChI=1S/C28H24N4O4/c33-26(32-23-12-6-7-13-25(23)36-17-24(32)18-8-2-1-3-9-18)16-31-27(34)22(30-28(31)35)14-19-15-29-21-11-5-4-10-20(19)21/h1-13,22,24H,14-17H2,(H,30,35)/p+1/t22-,24+/m1/s1 InChI=1/C28H24N4O4/c33-26(32-23-12-6-7-13-25(23)36-17-24(32)18-8-2-1-3-9-18)16-31-27(34)22(30-28(31)35)14-19-15-29-21-11-5-4-10-20(19)21/h1-13,22,24H,14-17H2,(H,30,35)/p+1/t22-,24+/m1/s1/fC28H25N4O4/h29-30H/q+1 c1ccc(cc1)[C@@H]2COc3ccccc3N2C(=O)CN4C(=O)[C@H](NC4=O)CC5=c6ccccc6=[NH+]C5 C01[X(C28H25N4O4)] 177 C01 590 O=C1N[C@@H](C(=O)N1CC(=O)N1[C@@H](COc2c1cccc2)c1ccccc1)CC1=c2ccccc2=[NH+]C1 O=C1N[C@@H](C(=O)N1CC(=O)N1[C@@H](CO[C]2[C]1[CH][CH][CH][CH]2)[C]1[CH][CH][CH][CH][CH]1)CC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1 O=C(CN1C(=O)N[C@H](CC2=C3C=CC=C[C]3NC2)C1=O)N4[C]5[CH][CH][CH][CH][C]5OC[C@H]4[C]6[CH][CH][CH][CH][CH]6 InChIKey=KBOKYFCJMHFRAY-VWNXMTODSA-N InChI=1S/C28H25N4O4/c33-26(32-23-12-6-7-13-25(23)36-17-24(32)18-8-2-1-3-9-18)16-31-27(34)22(30-28(31)35)14-19-15-29-21-11-5-4-10-20(19)21/h1-13,22,24,29H,14-17H2,(H,30,35)/t22-,24+/m1/s1 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1363.5725 1371.9358 1401.5700 1404.7089 1417.0150 1424.3079 1440.6628 1448.6970 1474.2532 1481.4769 1487.4778 1497.3528 1515.4069 1522.0588 1527.6981 1535.1111 1564.7871 1566.0350 1573.1538 1583.1828 1585.8132 1596.6499 1598.4221 1619.0422 1620.8159 1628.0070 1628.3842 1654.2766 1658.9068 1673.5251 1681.6691 1741.9422 1768.8912 1786.4536 1789.9919 1811.3230 1812.3094 1847.0832 1917.3737 2014.9010 2080.3949 3216.4555 3232.3461 3243.8611 3251.5118 3280.9730 3285.3692 3304.1817 3305.1945 3328.3908 3343.7259 3351.2336 3366.7079 3371.8336 3378.4380 3388.1324 3391.5449 3392.1444 3400.1077 3402.6128 3410.4746 3410.6301 3419.1566 3475.7337 3839.1102 3868.8766 6.2777 5.5871 5.6726 5.1316 6.8935 4.7102 5.2680 5.7949 5.7419 5.2043 7.2916 7.7329 6.0158 6.0056 4.9904 6.0677 5.6060 3.1635 4.3166 3.9062 4.2252 6.1926 3.3163 4.6165 2.9792 2.6476 6.0027 2.9889 5.7862 7.8178 4.2986 2.9368 4.8326 3.2681 5.1338 3.5195 2.0385 4.1060 2.3573 2.2525 3.2080 4.2468 3.3644 2.1100 3.6259 4.0535 4.3166 4.4312 5.7114 6.4909 4.0930 4.3593 4.9218 4.1430 2.3524 4.3964 5.1281 3.6950 2.7006 3.5520 4.0775 2.8168 1.4274 1.2610 5.2064 4.4578 3.5101 4.1120 1.4761 5.3331 1.2509 1.4740 2.8847 3.2995 2.6311 1.5890 2.6841 2.6612 2.5661 2.4644 1.3574 6.0534 1.3671 1.3030 1.2998 2.3392 1.3702 2.5630 3.5408 2.5552 1.8807 1.4160 2.8007 1.8400 3.2928 3.0867 2.3606 2.3203 2.4753 2.4311 2.5611 2.9671 1.5592 1.7702 1.1350 1.1761 1.1628 1.6002 1.9773 1.6153 1.7849 2.3863 1.2926 1.4591 1.5263 1.9286 2.7060 1.9525 1.6524 1.5119 1.5997 1.5595 1.7770 1.5038 1.7988 1.4409 2.5752 1.4184 2.1805 1.9037 2.1388 1.3345 1.7028 3.7902 1.9851 1.2807 1.4242 2.2950 1.8904 1.1702 2.1456 2.4629 5.1555 4.5398 5.1582 6.6607 5.7605 5.1803 6.0502 12.1141 11.9134 11.3994 1.0715 1.0609 1.0703 1.0782 1.1044 1.0671 1.1057 1.0788 1.0965 1.0898 1.1080 1.0887 1.0886 1.0935 1.0939 1.0907 1.0977 1.0910 1.0972 1.0980 1.0939 1.0995 1.0927 1.0783 1.0819 0.0004 0.0005 0.0011 0.0016 0.0045 0.0039 0.0078 0.0140 0.0176 0.0171 0.0324 0.0502 0.0675 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6.7164 7.0046 6.7864 7.1122 6.9433 7.1568 7.1787 7.3317 7.2704 7.2922 7.3539 7.3984 7.3921 7.4418 7.4312 7.4847 7.5248 7.4974 7.5734 7.7777 9.3635 9.5413 1.0001 0.5802 1.2919 1.0271 0.4530 2.5605 2.4858 1.0741 1.9071 1.1632 2.0611 2.4859 1.4799 2.3016 5.6248 14.7248 4.0830 9.9584 6.3672 0.6643 1.6105 6.3354 8.8378 2.3778 4.7361 3.1089 0.7339 2.6289 0.4955 8.8844 35.0692 0.0952 12.4239 11.4494 12.6379 2.7925 15.0544 1.7656 24.8627 64.4269 19.0919 17.4115 26.5432 138.0161 48.3828 4.1793 11.5280 25.3806 15.5802 19.4038 3.3250 0.6687 17.2298 11.8394 25.6968 8.7920 25.3215 7.0092 8.0196 2.1916 9.2168 57.8581 100.7302 81.8183 71.3978 15.9473 4.1839 53.9806 7.1459 5.2887 0.1756 3.1193 1.9036 1.0475 17.9913 3.8078 4.4155 14.4336 19.2143 27.3528 3.7454 1.8195 0.1609 0.0153 0.0773 4.1390 0.2946 19.0118 55.8437 7.1021 8.2215 4.0938 6.5146 4.8959 4.6572 21.7425 10.9215 1.3432 5.4485 59.5619 29.2643 49.9214 73.5474 7.0361 24.1388 4.1955 1.2977 11.8315 44.5398 10.3908 15.5133 38.1823 18.5932 61.8468 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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 7764.3405 39029.1215 42605.1409 1.00000 0.00267 -0.00077 -0.00268 0.99996 -0.00880 0.00075 0.00880 0.99996 1 0.01116 0.00222 0.00203 0.23244 0.04624 0.04236 15.25 18.37 26.50 32.83 48.13 53.59 72.00 92.00 103.70 107.42 124.98 150.98 198.53 215.03 245.73 251.55 288.91 299.71 314.44 365.79 367.42 410.15 428.41 462.20 466.52 525.08 550.83 575.64 600.60 636.03 648.96 652.31 684.44 708.85 714.64 755.03 765.43 771.24 794.65 827.58 836.62 842.02 862.36 864.04 878.55 899.91 920.19 950.92 973.86 980.56 1001.54 1021.62 1041.37 1098.35 1115.43 1134.48 1136.89 1160.30 1180.28 1193.74 1195.14 1212.78 1233.00 1234.41 1265.15 1277.13 1311.93 1332.38 1369.71 1376.39 1377.57 1406.92 1407.76 1438.69 1484.10 1511.90 1515.39 1517.79 1519.07 1523.25 1556.58 1566.75 1589.96 1601.90 1616.20 1624.22 1631.08 1636.06 1641.75 1644.40 1667.33 1667.40 1704.99 1711.82 1734.52 1740.89 1751.84 1754.29 1774.62 1788.96 1812.35 1815.48 1820.19 1867.45 1870.47 1875.90 1885.51 1897.02 1911.45 1915.87 1936.25 1961.88 1973.91 2016.55 2021.06 2038.77 2049.26 2072.79 2084.35 2121.12 2131.51 2140.15 2154.36 2180.33 2189.90 2198.02 2208.68 2251.38 2253.18 2263.42 2277.85 2281.63 2297.22 2299.77 2329.44 2331.99 2342.34 2342.88 2380.13 2386.80 2407.83 2419.55 2506.27 2545.04 2570.31 2575.40 2606.09 2607.51 2657.54 2758.67 2898.99 2993.22 4627.76 4650.63 4667.19 4678.20 4720.59 4726.91 4753.98 4755.44 4788.81 4810.88 4821.68 4843.94 4851.32 4860.82 4874.77 4879.68 4880.54 4892.00 4895.60 4906.91 4907.14 4919.40 5000.81 5523.62 5566.45 0.528732 0.556067 0.557012 0.465185 -1591.440005 -1591.412669 -1591.411725 -1591.503552 3.079893D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE c1ccc(cc1)[C@@H]2COc3ccccc3N2C(=O)CN4C(=O)[C@H](NC4=O)CC5=c6ccccc6=[NH+]C5 C63830662 RHF 6-31G(d) (6D,10F) C1 481.187581 |X|Y|Z| 56.837800 36.350871 140.205040 66.166562 33 6 7 8 28 4 1 |36.858105| |13.730837|36.858105| |7.944480|13.787549|36.858105| |6.825591|7.890576|13.672407|36.858105| |7.921068|6.878805|7.966158|13.742185|36.858105| |13.785576|7.963353|6.906179|7.911576|13.719871|36.858105| |4.414884|5.025164|7.605195|12.491549|7.440076|4.975007|36.858105| |4.022442|4.743585|7.089516|8.981523|5.806948|4.293766|17.652531|0.500000| |3.721116|4.288337|6.030207|7.446190|5.276926|3.989059|12.473086|0.253826|36.858105| |3.618599|3.924933|5.021445|6.267377|5.196538|4.005473|7.897287|0.160960|13.690407|73.516695| |3.372015|3.450469|4.208368|5.547525|5.226582|3.947179|6.888465|0.141681|8.186319|25.037934|36.858105| |2.934598|2.924237|3.358873|4.113975|4.133890|3.392791|4.603796|0.103350|5.334787|14.558308|13.733874|36.858105| |2.641417|2.563669|2.863411|3.480609|3.675512|3.096971|3.804097|0.088539|4.039901|9.412057|7.945629|13.838199|36.858105| |2.653777|2.547289|2.852734|3.554318|3.855053|3.185026|3.930688|0.092278|3.859886|8.241837|6.903484|7.981475|13.735653|36.858105| |2.962056|2.870320|3.316266|4.354528|4.688562|3.627606|5.076602|0.116302|4.607840|9.268372|7.965424|6.896692|7.934579|13.805356|36.858105| |3.390413|3.406519|4.171180|5.848037|5.757367|4.119851|7.740851|0.159096|6.943340|14.045013|13.679031|7.879541|6.811344|7.892226|13.647206|36.858105| |3.713686|3.870092|5.038821|7.575401|6.569152|4.445617|12.986420|0.254987|7.911194|12.022161|7.828850|5.126400|4.500429|5.081493|7.641508|13.248410|53.358707| |3.250758|3.348425|4.147479|5.575066|5.158803|3.815474|7.740608|0.208154|5.360246|8.192261|5.190669|3.925735|3.714890|4.386767|6.410158|7.772178|19.140220|36.858105| |2.783348|2.801381|3.311221|4.216818|4.155858|3.258183|5.312328|0.142390|4.222679|6.912383|4.570316|3.710362|3.726945|4.649332|6.803309|6.729100|11.430241|15.853929|73.516695| |3.302056|3.501635|4.330452|5.347574|4.715458|3.694773|6.716529|0.224306|4.621330|6.718820|3.890697|3.079926|2.889842|3.255443|4.256124|4.969481|10.476025|12.360231|14.387638|36.858105| |2.776424|2.862997|3.325751|3.884768|3.681020|3.079469|4.474688|0.139804|3.455259|5.313896|3.139118|2.620478|2.547833|2.912419|3.677353|3.919908|7.075792|7.874129|13.146816|13.210396|53.358707| |2.337390|2.424856|2.788957|3.169416|2.983341|2.548471|3.720122|0.115562|3.093047|4.805557|2.838448|2.423393|2.376955|2.700230|3.311135|3.452668|5.842597|6.058411|11.427296|7.747482|18.984298|36.858105| |2.204687|2.328454|2.706069|3.024373|2.768329|2.366804|3.658512|0.115986|3.171115|4.849406|2.815103|2.403193|2.327052|2.591541|3.128295|3.335039|5.576978|5.432376|9.899603|6.569347|11.318481|16.066887|73.516695| |2.097345|2.126476|2.368234|2.661105|2.606250|2.293100|2.976907|0.088749|2.537721|4.092752|2.450852|2.161265|2.173779|2.491728|2.966368|2.941878|4.671650|4.538748|9.176513|5.164202|11.168334|12.491062|14.016128|36.858105| |1.983206|1.999240|2.224600|2.519871|2.488782|2.183738|2.844307|0.082950|2.476167|4.063062|2.474063|2.209507|2.257008|2.618610|3.093205|2.980743|4.573399|4.388015|9.493117|4.531067|8.651469|8.966104|12.199225|17.563837|0.500000| |2.286336|2.271679|2.491211|2.819344|2.850094|2.533390|3.030483|0.088854|2.514003|4.097808|2.467391|2.177057|2.201602|2.545598|3.046588|2.987448|4.755683|4.590706|9.064853|5.292525|11.606792|8.220943|9.766830|13.171375|0.251026|53.358707| |2.738250|2.717962|3.029957|3.527679|3.577295|3.091748|3.776589|0.111149|2.968566|4.766119|2.869339|2.463355|2.455827|2.851889|3.540593|3.569739|6.010292|6.132715|11.283271|7.722565|18.712389|8.367289|9.891115|8.192217|0.177947|18.688578|36.858105| |3.075816|2.957735|3.225896|3.798357|4.066444|3.565159|3.826240|0.108860|2.957746|4.835895|2.925027|2.521288|2.522399|2.935695|3.633895|3.633225|6.015617|5.703478|10.028065|6.654885|11.309185|5.590427|7.508422|5.502516|0.131778|11.291491|16.104919|73.516695| |1.868203|1.909124|2.097721|2.283387|2.215693|1.996241|2.512464|0.075657|2.201045|3.548273|2.082146|1.861120|1.859998|2.081435|2.404122|2.412074|3.764450|3.428627|6.567239|3.961693|7.513457|7.611547|11.416958|12.363326|0.243807|10.327951|5.390246|7.302634|36.858105| |1.697418|1.711730|1.846912|1.998512|1.976911|1.813286|2.150507|0.063439|1.908161|3.137800|1.851191|1.685430|1.705305|1.907431|2.157455|2.121211|3.214663|2.837610|5.486836|3.138801|5.579349|4.949671|7.683575|7.547476|0.187985|8.495831|4.376452|6.386537|12.732033|36.858105| |1.545055|1.552587|1.669213|1.806405|1.795220|1.652056|1.946130|0.056695|1.758241|2.928481|1.737461|1.603849|1.637981|1.830165|2.035993|1.974447|2.922199|2.531866|4.966856|2.689967|4.557926|3.991729|6.499939|5.601485|0.161989|6.423589|3.537719|5.361974|7.395534|14.054729|36.858105| |1.470192|1.482609|1.602915|1.739639|1.719999|1.573371|1.898896|0.055040|1.744278|2.920379|1.739430|1.616921|1.658258|1.849678|2.039234|1.966845|2.869133|2.464779|4.897642|2.544226|4.181361|3.732254|6.382882|4.878247|0.154232|5.365559|3.127120|4.777043|5.808493|7.429346|13.192531|36.858105| |1.346154|1.351723|1.450397|1.567235|1.558749|1.437777|1.696284|0.048717|1.575999|2.668180|1.590734|1.497980|1.546049|1.714903|1.857866|1.778360|2.550039|2.144966|4.240258|2.178847|3.472425|2.978172|5.138828|3.685748|0.115090|4.328712|2.618162|4.124227|4.143051|5.138735|7.958943|14.206146|36.858105| |1.287458|1.284921|1.364875|1.466753|1.470771|1.371815|1.563910|0.044750|1.449712|2.466154|1.467244|1.388372|1.435373|1.587178|1.707962|1.631953|2.332838|1.943013|3.798919|1.983369|3.140910|2.604627|4.421261|3.205741|0.096500|3.987133|2.423265|3.897744|3.589413|4.651349|6.886821|7.863274|13.162186|36.858105| |1.327492|1.320446|1.395233|1.495251|1.505919|1.412850|1.578771|0.045280|1.449158|2.458125|1.458475|1.374074|1.416423|1.567625|1.696314|1.626446|2.344043|1.958491|3.798012|2.029388|3.249931|2.653031|4.411004|3.326857|0.096748|4.286839|2.562299|4.140996|3.798974|5.289710|7.652618|6.602757|7.702076|14.053669|36.858105| |1.454565|1.450235|1.538787|1.653144|1.660208|1.550249|1.749166|0.050569|1.584933|2.663132|1.577558|1.469557|1.506295|1.674981|1.840022|1.776205|2.601457|2.210264|4.282812|2.337124|3.857291|3.188291|5.182715|4.210144|0.118790|5.396079|3.077946|4.864459|5.100593|8.416016|13.184041|7.632782|6.812934|8.079161|13.456839|36.858105| |1.515991|1.507061|1.588583|1.698064|1.711784|1.610804|1.774334|0.051461|1.591604|2.665008|1.571088|1.456847|1.486171|1.649583|1.820777|1.769491|2.615815|2.221551|4.238469|2.396744|3.984088|3.192091|5.083871|4.186467|0.111363|5.743188|3.261402|5.213140|5.087923|8.271130|8.438676|5.287905|4.654240|5.258394|7.717904|14.489971|53.358707| |1.459879|1.444980|1.510174|1.605082|1.626475|1.545705|1.659666|0.047937|1.493186|2.511872|1.477640|1.377021|1.405707|1.553258|1.701833|1.653074|2.429421|2.036828|3.853263|2.189192|3.564956|2.785204|4.467062|3.505784|0.093397|4.959417|2.929700|4.813176|4.079007|5.823599|5.915525|4.230185|3.947967|4.640427|6.811170|9.269735|26.007429|0.500000| |1.681340|1.681199|1.784845|1.911383|1.912901|1.786660|2.005193|0.058875|1.771654|2.928561|1.719601|1.572864|1.590993|1.770240|1.987047|1.954664|2.952320|2.555599|4.834081|2.851025|4.936991|3.988269|6.153134|5.468292|0.133711|7.583344|4.078645|6.281889|7.265011|12.715432|8.214281|5.079141|4.104125|4.154565|5.197783|8.368558|17.925272|0.244008|36.858105| |17.723084|8.901254|5.648195|4.927787|5.636415|8.917188|3.534503|0.091430|3.093142|5.425097|2.878326|2.586667|2.369566|2.373054|2.590916|2.878900|4.197148|2.771935|4.329676|2.827778|3.343993|2.100250|3.524830|1.917340|0.050461|2.850245|2.459651|4.907794|1.728905|1.589351|1.452844|1.379981|1.270911|1.223348|1.264589|1.379713|1.963150|0.038820|1.588826|0.500000| |8.900480|17.720377|8.938809|5.628153|4.955292|5.654614|4.109200|0.112109|3.706137|6.025323|2.965391|2.573408|2.271095|2.240604|2.483279|2.896188|4.417249|2.881483|4.368460|3.058086|3.492963|2.216528|3.821527|1.957767|0.051083|2.823790|2.434281|4.645573|1.788038|1.610749|1.464297|1.398596|1.279452|1.219652|1.254002|1.373405|1.945026|0.038188|1.588987|0.214346|0.500000| |5.655798|8.964794|17.684444|8.878854|5.650529|4.966749|7.096967|0.206906|6.276803|8.616340|3.913986|3.142586|2.664291|2.632221|3.034222|3.815184|6.299521|3.902374|5.572841|4.186080|4.391864|2.771159|4.896852|2.323438|0.060505|3.256401|2.862024|5.257806|2.087327|1.824562|1.649388|1.590741|1.437544|1.347580|1.373227|1.513936|2.120726|0.041062|1.752655|0.124370|0.216913|0.500000| |5.655135|4.958578|5.650882|8.901215|17.760539|8.952428|6.839246|0.147131|4.967695|9.127506|5.782172|4.587279|4.250823|4.703275|6.011952|7.052997|10.163851|5.847420|8.608826|4.852446|5.266490|3.134295|5.099966|2.770074|0.074549|4.155208|3.848873|7.870563|2.305511|2.064858|1.884462|1.811694|1.641864|1.545616|1.578491|1.738465|2.426982|0.046923|1.985300|0.124371|0.107623|0.123940|0.500000| |8.925497|5.654282|4.969578|5.642319|8.931258|17.721721|4.060893|0.098922|3.373974|6.193565|3.572076|3.205012|3.036114|3.159189|3.507739|3.762848|5.292723|3.451694|5.449133|3.293761|3.890101|2.390958|3.917823|2.204264|0.058738|3.352954|2.961157|6.169323|1.920366|1.769536|1.621794|1.542052|1.417371|1.360796|1.404687|1.534758|2.173691|0.042775|1.756821|0.214806|0.124169|0.107764|0.217010|0.500000| |3.829067|4.670243|6.673722|6.898486|4.801771|3.868889|8.811825|0.215258|17.660464|17.015104|5.942535|4.414604|3.425088|3.225120|3.691648|5.053044|7.714629|4.282882|6.176560|4.004386|4.194386|2.776692|5.084410|2.305511|0.061977|3.117384|2.675671|4.762688|2.043571|1.782086|1.641630|1.623010|1.472467|1.361863|1.364949|1.489745|2.044864|0.039329|1.669434|0.088816|0.115270|0.214581|0.119333|0.089950|0.500000| |3.103471|3.515635|4.666727|5.483847|4.216931|3.309148|8.897594|0.225014|17.531324|16.619341|7.034763|4.913627|3.859050|3.736255|4.444061|6.382273|9.836943|5.391863|7.773703|4.620001|4.791163|3.271180|6.168023|2.641893|0.072212|3.463472|2.950895|5.077723|2.296879|1.972649|1.824820|1.829897|1.648034|1.501616|1.490393|1.629022|2.208304|0.042063|1.805776|0.073600|0.087108|0.139007|0.114792|0.080121|0.300278|0.500000| |2.805398|2.826616|3.197465|3.729049|3.673452|3.138772|4.051517|0.093404|4.935868|13.547143|9.014040|17.742171|8.874371|5.645814|4.967028|5.648633|5.703583|3.307863|5.527598|2.718167|3.173731|2.174345|3.868363|1.947138|0.055039|2.660535|2.190676|3.979656|1.704719|1.550636|1.479479|1.492901|1.390169|1.292734|1.278878|1.362081|1.839308|0.035605|1.453588|0.069518|0.070244|0.084397|0.108133|0.082223|0.120550|0.126202|0.500000| |2.380034|2.300102|2.514003|2.955072|3.124838|2.739358|3.151450|0.075332|3.366379|7.605547|5.651636|8.952896|17.727908|8.887675|5.641978|4.920745|4.885545|3.079950|5.548696|2.487036|3.045580|2.111771|3.686963|1.960980|0.056703|2.700244|2.177441|3.974846|1.701117|1.576938|1.526946|1.551267|1.460029|1.361923|1.340757|1.414403|1.895550|0.036743|1.477845|0.060363|0.057414|0.065464|0.097947|0.075702|0.082152|0.090178|0.213368|0.500000| |2.396834|2.279387|2.501289|3.036645|3.327201|2.851078|3.281131|0.079512|3.182632|6.533673|4.968819|5.662797|8.895822|17.729107|8.974270|5.635527|5.621521|3.811288|7.463817|2.931397|3.701671|2.555251|4.328073|2.426670|0.071741|3.389446|2.727820|4.997456|2.034205|1.893343|1.836370|1.862707|1.742477|1.619309|1.595275|1.691780|2.257889|0.043486|1.761504|0.060513|0.056291|0.064370|0.111311|0.080278|0.075930|0.086568|0.123854|0.213629|0.500000| |2.832603|2.725031|3.109842|4.022834|4.390566|3.467051|4.608208|0.110865|3.976249|7.467526|5.665919|4.975039|5.664262|8.988552|17.853955|8.918221|9.508834|7.046212|15.412112|4.594290|5.660021|3.719925|6.047447|3.402114|0.099939|4.831624|4.136873|7.534512|2.672920|2.401126|2.259841|2.252189|2.037123|1.868956|1.861247|2.032292|2.734759|0.051897|2.200237|0.069390|0.065819|0.079165|0.156878|0.094504|0.090850|0.108332|0.107943|0.124443|0.217815|0.500000| |3.089620|3.402580|4.291010|4.985274|4.135771|3.322278|6.618013|0.254374|4.865917|6.721080|3.723826|2.951440|2.715978|2.970116|3.754919|4.489895|9.065854|8.741076|11.225467|17.645309|12.692852|7.296667|12.974941|4.689807|0.114988|6.072571|5.744550|8.785274|3.844462|3.001744|2.587093|2.478028|2.122690|1.919651|1.950463|2.235371|3.099320|0.057763|2.698899|0.073948|0.084393|0.122209|0.113948|0.081593|0.119562|0.141433|0.073681|0.065467|0.074124|0.108440|0.500000| |3.915419|4.149481|5.132323|6.340079|5.605584|4.387496|6.907707|0.226667|4.518188|6.626340|3.755884|2.989861|2.786253|3.095050|3.964654|4.644326|9.470913|8.739105|10.903133|17.649543|12.565492|5.757813|8.779744|4.354246|0.105912|6.524183|7.142335|12.735451|3.505674|2.880061|2.469533|2.305390|2.000773|1.852416|1.914784|2.197365|3.117226|0.058872|2.714909|0.091450|0.098529|0.132514|0.152399|0.106053|0.112406|0.118343|0.074003|0.066979|0.077522|0.116804|0.300322|0.500000| |2.188330|2.140290|2.314770|2.623049|2.715061|2.444324|2.774703|0.079474|2.333849|3.883561|2.366138|2.122838|2.182074|2.546445|3.001022|2.855041|4.386692|4.095064|8.310805|4.389299|8.418990|5.969350|7.842378|8.971175|0.221304|25.979418|9.523756|13.383425|6.116047|5.889546|4.766341|3.960417|3.272044|3.076269|3.344476|4.177578|6.053687|0.107610|5.539450|0.056144|0.054317|0.061250|0.081862|0.067193|0.059094|0.065239|0.052896|0.054991|0.070439|0.098427|0.103517|0.113577|0.500000| |1.773542|1.828384|2.021612|2.190743|2.099188|1.884605|2.449036|0.074031|2.189412|3.519497|2.055709|1.842057|1.834369|2.036521|2.335725|2.357682|3.651390|3.279847|6.276656|3.709340|6.609632|7.015400|12.393762|8.900078|0.215194|7.608631|4.432909|6.206869|17.596648|8.944620|6.812598|6.225212|4.343893|3.585030|3.622135|4.612364|5.899761|0.098753|5.519059|0.045564|0.047772|0.056482|0.060486|0.050143|0.056529|0.064426|0.047056|0.046707|0.055151|0.071264|0.103868|0.089814|0.131532|0.500000| |1.934390|1.990427|2.180495|2.339731|2.251994|2.043899|2.544083|0.077793|2.210770|3.526366|2.040520|1.813277|1.793021|1.986400|2.295728|2.344222|3.713440|3.342308|6.137038|4.063454|7.652660|7.094167|10.785007|8.859801|0.173525|9.436638|5.391120|7.412656|17.578581|8.994182|5.638904|4.494611|3.444286|3.107193|3.349211|4.397656|6.397188|0.108646|7.000171|0.049780|0.052048|0.060558|0.064137|0.054296|0.057628|0.063614|0.046374|0.045535|0.053524|0.070049|0.111235|0.102433|0.151207|0.302287|0.500000| |1.515762|1.538710|1.679633|1.830042|1.792034|1.623242|2.029053|0.059081|1.871664|3.115743|1.855871|1.716073|1.753058|1.955498|2.169506|2.104485|3.082000|2.667452|5.336058|2.739478|4.493448|4.178542|7.405866|5.292681|0.173815|5.446832|3.239515|4.872761|6.142866|6.566283|8.702811|17.741894|9.025937|5.585261|4.811987|5.490547|5.832500|0.098034|4.427228|0.039307|0.040247|0.046525|0.052456|0.043914|0.048151|0.055125|0.043923|0.045354|0.054355|0.066418|0.074983|0.067714|0.108200|0.203353|0.129072|0.500000| |1.292692|1.300394|1.397430|1.509479|1.497506|1.379508|1.641131|0.046963|1.541832|2.622087|1.564492|1.482550|1.533353|1.693397|1.818357|1.737463|2.466742|2.054176|4.062815|2.058593|3.217252|2.750451|4.845090|3.270653|0.102997|3.840552|2.389792|3.793023|3.560771|4.104857|5.627675|9.048151|17.757385|8.768178|5.584119|4.926465|5.019399|0.089894|3.356436|0.033900|0.034226|0.038567|0.043831|0.037751|0.040010|0.044998|0.038315|0.040392|0.047901|0.055009|0.056083|0.052394|0.080139|0.106207|0.083752|0.215568|0.500000| |1.207254|1.203156|1.273445|1.364580|1.370723|1.283926|1.450125|0.041307|1.354539|2.317834|1.378464|1.314063|1.362075|1.498517|1.596034|1.521563|2.155290|1.773947|3.454194|1.795772|2.795220|2.287303|3.916683|2.733673|0.082069|3.448888|2.148100|3.502644|2.989927|3.684746|4.960648|5.656653|8.797919|17.723329|9.093640|5.704476|5.714999|0.108456|3.399629|0.031967|0.031796|0.034931|0.039982|0.035467|0.035436|0.038936|0.034115|0.036112|0.042634|0.048214|0.048399|0.046823|0.073946|0.083520|0.073477|0.124027|0.215660|0.500000| |1.270556|1.259240|1.321244|1.409386|1.425717|1.348495|1.474730|0.042160|1.356397|2.310080|1.367921|1.294564|1.335349|1.471618|1.581966|1.516520|2.175975|1.799601|3.461404|1.863143|2.945302|2.354384|3.915675|2.881499|0.082623|3.825268|2.335806|3.844758|3.225564|4.291287|5.492970|4.813044|5.517914|8.946119|17.753872|8.755574|9.232419|0.192495|4.541579|0.033792|0.033310|0.036061|0.041413|0.037395|0.035631|0.038560|0.033579|0.035254|0.041687|0.047999|0.049693|0.049356|0.083322|0.084934|0.081528|0.105166|0.123127|0.216807|0.500000| |1.655038|1.666673|1.763750|1.864077|1.849251|1.738037|1.946651|0.057655|1.725488|2.834686|1.646316|1.502898|1.507523|1.660299|1.859373|1.853398|2.815006|2.409299|4.459447|2.738229|4.650391|3.720688|5.892678|4.713391|0.113101|6.438050|3.714371|5.791420|6.476668|8.895104|6.249787|4.309199|3.574946|3.614122|4.398633|6.336552|12.349506|0.205417|17.542334|0.043571|0.044075|0.048427|0.052694|0.047239|0.045551|0.048819|0.038801|0.038942|0.045611|0.056508|0.073258|0.073198|0.125074|0.143966|0.198036|0.107950|0.083409|0.084416|0.110614|0.500000| 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