Version2.1 2021-01-19T09:31:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[NH2+]C[C@H](COc1ccc(c2c1cccc2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)O C21981343 RHF 6-31G(d) (6D,7F) CC(C)[NH2+]C[C@H](COc1ccc(c2c1cccc2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)O C01[X(C22H29N1O9)] 177 C1 538 O[C@@H](COc1ccc(c2c1cccc2)O[C@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O)C[NH2+]C(C)C O[C@@H](COc1ccc(c2c1cccc2)O[C@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O)C[NH2+]C(C)C CC(C)[NH2+]C[C@@H](O)COc1ccc(O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)c3ccccc13 InChIKey=GCESUDQAKCEBSY-RIOANAIQSA-N InChI=1S/C22H29NO9/c1-11(2)23-9-12(24)10-30-15-7-8-16(14-6-4-3-5-13(14)15)31-22-19(27)17(25)18(26)20(32-22)21(28)29/h3-8,11-12,17-20,22-27H,9-10H2,1-2H3,(H,28,29)/t12-,17+,18+,19-,20+,22+/m1/s1 InChI=1/C22H29NO9/c1-11(2)23-9-12(24)10-30-15-7-8-16(14-6-4-3-5-13(14)15)31-22-19(27)17(25)18(26)20(32-22)21(28)29/h3-8,11-12,17-20,22-27H,9-10H2,1-2H3,(H,28,29)/t12-,17+,18+,19-,20+,22+/m1/s1/f/h23H CC(C)[NH2+]C[C@H](COc1ccc(c2c1cccc2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)O C01[X(C22H29N1O9)] 177 C01 538 O[C@@H](COc1ccc(c2c1cccc2)O[C@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O)C[NH2+]C(C)C O[C@@H](CO[C]1[CH][CH]=[C]([C]2[C]1[CH]=[CH][CH][CH]2)O[C@H]1O[C@H]([C]([O])=O)[C@H]([C@@H]([C@H]1O)O)O)C[NH2]C(C)C CC(C)[NH2]C[C@@H](O)CO[C]1[CH]C=C(O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O])=O)[C]3[CH][CH]C=C[C]13 InChIKey=AKXCMRGRHHLYJP-RIOANAIQSA-N InChI=1S/C22H29NO9/c1-11(2)23-9-12(24)10-30-15-7-8-16(14-6-4-3-5-13(14)15)31-22-19(27)17(25)18(26)20(32-22)21(28)29/h3-8,11-12,17-20,22,24-27H,9-10,23H2,1-2H3/t12-,17+,18+,19-,20+,22+/m1/s1 InChI=1/C22H29NO9/c1-11(2)23-9-12(24)10-30-15-7-8-16(14-6-4-3-5-13(14)15)31-22-19(27)17(25)18(26)20(32-22)21(28)29/h3-8,11-12,17-20,22,24-27H,9-10,23H2,1-2H3/t12-,17+,18+,19-,20+,22+/m1/s1 3296.3282937562 -1578.0827891 1-A 24126.1960 120 418 538 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65128 -20.62348 -20.54337 -20.51674 -20.51135 -20.51022 -20.47473 -20.38700 -20.38312 -15.79917 -11.40722 -11.39247 -11.37781 -11.34063 -11.33186 -11.32745 -11.29149 -11.29121 -11.26322 -11.23312 -11.22984 -11.22541 -11.22503 -11.22469 -11.22307 -11.22093 -11.21665 -11.21541 -11.21122 -11.20207 -11.19379 -11.19192 -1.47886 -1.44507 -1.42750 -1.40184 -1.33742 -1.32432 -1.31201 -1.28688 -1.26772 -1.19275 -1.16955 -1.16334 -1.13267 -1.09638 -1.06355 -1.04516 -1.01174 -0.99792 -0.99674 -0.97338 -0.96097 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1440.5529 1460.2934 1476.5339 1491.1550 1494.6605 1498.4756 1503.3436 1504.9590 1527.2518 1534.2440 1537.2223 1546.3243 1555.0308 1560.6944 1562.5257 1565.6326 1576.4384 1586.0921 1592.5046 1596.2248 1606.1590 1610.3827 1618.5318 1620.4419 1632.0529 1634.6935 1637.5944 1640.9803 1646.3276 1653.2422 1671.6182 1687.5184 1793.4950 1808.4134 1831.2656 1842.6681 1904.2467 3185.2319 3199.7569 3201.9685 3207.4731 3209.4717 3212.9273 3224.1919 3225.8778 3256.6005 3268.0451 3270.3012 3285.0578 3289.6124 3300.7580 3310.8345 3315.6610 3353.3165 3363.3441 3374.2984 3390.5446 3391.9594 3401.3128 3418.2222 3641.2602 3716.0872 3839.7729 4045.6837 4082.3630 4087.4104 5.5550 3.4498 5.2882 4.0465 5.3522 4.1807 4.5785 5.2382 13.0495 4.9373 7.3182 4.7055 3.4057 6.0625 5.5031 3.2090 2.7823 4.8634 5.1297 4.3381 5.5039 1.2078 4.5804 3.6954 1.7117 2.2349 4.7163 4.0863 5.5567 4.8367 3.7196 1.3397 3.4532 2.5945 1.9223 2.5857 4.8826 4.3392 2.7849 3.2433 1.4512 2.0695 3.8873 5.7247 3.3230 2.7261 4.9422 5.1152 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6.6593 6.9322 6.8499 6.9103 6.9804 6.7907 7.0495 7.1032 7.1465 7.2074 7.3944 7.3277 7.4178 7.4240 7.4580 7.5398 8.2778 8.8771 9.2582 10.2833 10.4691 10.4954 2.4075 0.7970 6.2041 1.3418 2.4275 10.2748 1.7490 1.6972 2.5539 4.5019 4.3385 0.2939 4.2329 1.1403 5.8764 2.0086 7.5746 0.9015 10.3060 2.5611 7.7912 0.9238 3.8886 6.9421 2.7112 6.2266 9.7650 14.7098 4.0382 5.5193 7.4549 121.9948 20.0832 8.9157 74.0487 1.2651 5.9802 3.0294 75.0706 4.6709 77.2040 57.7876 5.4002 3.0057 4.8024 13.8475 27.1150 0.3613 8.4371 5.4734 21.0352 15.7096 8.0201 18.0906 26.5247 19.8756 14.7312 155.9761 35.9271 41.8289 2.2774 40.5264 22.7635 52.7195 1.8234 89.6626 17.9693 9.8839 40.2307 33.4585 21.3613 6.5447 4.9745 6.8912 41.1023 20.8088 21.6841 0.6319 24.1102 80.9042 5.9240 54.3610 10.3220 20.6651 14.1799 126.1349 122.1596 19.4684 26.6299 221.1724 52.9988 219.4776 221.2951 27.2612 3.5598 30.0788 40.2680 93.9769 6.4649 120.7494 13.5603 117.0918 1.0733 32.9325 98.8329 20.0686 16.3706 8.7270 217.8316 214.1218 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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 7562.5206 36319.8364 42575.3984 0.99993 0.01177 -0.00093 -0.01177 0.99992 -0.00446 0.00087 0.00447 0.99999 1 0.01145 0.00238 0.00203 0.23864 0.04969 0.04239 10.94 25.56 34.83 36.52 56.76 73.66 84.66 92.35 105.47 138.98 157.68 169.43 184.73 193.25 215.72 240.17 260.40 271.41 307.23 321.50 328.70 344.46 361.15 377.82 395.65 406.78 451.29 475.89 487.31 518.25 554.66 583.61 600.61 621.68 630.93 638.42 643.46 656.16 676.23 683.42 713.27 721.88 741.21 760.37 774.66 797.66 833.31 860.13 862.72 891.49 926.35 956.62 985.23 999.16 1032.20 1056.79 1143.76 1162.99 1169.70 1217.30 1237.35 1243.54 1247.46 1263.93 1279.51 1305.50 1385.77 1407.65 1418.43 1427.09 1430.98 1479.55 1493.20 1502.01 1505.96 1544.88 1560.96 1572.43 1582.15 1605.42 1617.06 1637.62 1644.29 1645.97 1663.40 1704.25 1719.29 1728.29 1753.68 1760.03 1780.68 1799.36 1801.90 1826.55 1837.11 1851.97 1852.95 1854.19 1868.45 1874.00 1896.29 1917.89 1918.45 1947.12 1982.84 1985.37 1993.44 2018.23 2033.55 2051.46 2069.59 2072.63 2101.04 2124.40 2145.44 2150.48 2155.97 2162.98 2165.30 2197.37 2207.43 2211.72 2224.82 2237.34 2245.49 2248.13 2252.60 2268.14 2282.03 2291.26 2296.61 2310.90 2316.98 2328.71 2331.45 2348.16 2351.96 2356.13 2361.00 2368.70 2378.65 2405.09 2427.96 2580.44 2601.90 2634.78 2651.19 2739.79 4582.84 4603.74 4606.92 4614.84 4617.71 4622.69 4638.89 4641.32 4685.52 4701.99 4705.23 4726.47 4733.02 4749.05 4763.55 4770.50 4824.67 4839.10 4854.86 4878.24 4880.27 4893.73 4918.06 5238.96 5346.62 5524.58 5820.84 5873.61 5880.87 0.547268 0.576178 0.577122 0.483467 -1577.535521 -1577.506611 -1577.505667 -1577.599322 3.141204D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE CC(C)[NH2+]C[C@H](COc1ccc(c2c1cccc2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)O C21981343 RHF 6-31G(d) (6D,10F) C1 451.184232 |X|Y|Z| 62.236915 140.439978 22.980118 58.563949 17 6 8 15 2 |36.858105| |12.501354|36.858105| |7.508574|12.496780|36.858105| |7.645818|12.584409|7.748536|53.358707| |5.690679|9.199141|7.573660|25.692799|0.500000| |7.192757|9.088237|6.905935|25.597520|0.329877|0.500000| |6.026361|7.397302|4.955665|17.317818|0.258296|0.260798|36.858105| |4.297693|4.937998|3.901527|10.612866|0.200824|0.211077|12.512493|36.858105| |3.745437|4.514743|3.788954|9.356753|0.207940|0.179083|8.846051|17.507989|0.500000| |3.527428|3.761502|3.045202|6.823406|0.129333|0.136488|7.566032|12.550667|0.248060|36.858105| |2.934642|3.110654|2.661093|5.484693|0.108535|0.114877|5.181840|8.267709|0.206019|13.745802|73.516695| |2.498180|2.583300|2.245910|4.297411|0.084982|0.089394|3.911073|5.260970|0.136096|8.019373|24.510306|36.858105| |2.423100|2.457736|2.114687|3.952717|0.076999|0.080755|3.645594|4.464201|0.113043|6.839700|14.063079|14.078478|36.858105| |2.071777|2.083306|1.828604|3.252443|0.063866|0.066584|2.873909|3.355193|0.087465|4.534975|9.151670|7.898827|13.455125|36.858105| |1.877493|1.897916|1.698120|2.958690|0.058823|0.061185|2.534687|2.986352|0.079778|3.803058|8.123750|6.832460|7.941791|14.026336|36.858105| |1.909220|1.952252|1.763708|3.094525|0.062186|0.064735|2.615284|3.193882|0.086880|3.966672|9.251931|7.843931|6.844208|7.872009|13.321520|36.858105| |2.170155|2.246787|2.013466|3.671459|0.073976|0.077337|3.149432|4.089115|0.111448|5.222232|14.265114|13.384004|7.884102|6.761706|7.757548|13.518570|36.858105| |2.129185|2.233929|2.045374|3.681834|0.075628|0.078730|3.034648|3.989467|0.113220|4.562485|12.134705|7.632699|5.113435|4.497461|5.082997|7.813696|13.426624|36.858105| |1.865679|1.947412|1.816832|3.128937|0.064606|0.066862|2.506710|3.129778|0.089377|3.441803|8.160164|5.108579|3.944803|3.776436|4.507945|6.813467|7.894910|14.011348|36.858105| |1.691841|1.745762|1.626641|2.747634|0.056282|0.058199|2.210424|2.668535|0.075084|2.996202|6.771809|4.516405|3.791909|3.941134|5.116201|7.892149|6.814826|7.917567|13.480351|36.858105| |1.707072|1.747255|1.607420|2.735867|0.055470|0.057488|2.244970|2.687202|0.074340|3.142475|7.038229|5.110448|4.532723|5.122457|7.673143|13.420177|7.814366|6.831616|7.916848|14.008231|36.858105| |1.664026|1.675009|1.515621|2.563623|0.051136|0.052925|2.152531|2.463436|0.066387|3.000084|6.134044|4.599381|5.191295|7.959201|14.045656|8.068655|5.210122|3.970446|3.828474|4.627533|6.909268|73.516695| |1.605085|1.592709|1.440761|2.403135|0.047529|0.049702|2.005179|2.241128|0.059594|2.692960|5.304803|3.792776|4.398351|6.402285|8.010506|5.433502|4.037118|3.228548|3.123064|3.653338|4.908568|24.062987|36.858105| |1.655537|1.629151|1.473069|2.461339|0.048402|0.051362|2.045737|2.292723|0.060314|2.744389|5.437883|3.865374|4.391698|6.038397|7.337902|5.427767|4.129092|3.325137|3.211145|3.724292|4.913200|16.682120|17.598843|0.500000| |1.422551|1.414389|1.294562|2.112133|0.042036|0.043642|1.732865|1.913444|0.051478|2.230127|4.349102|2.970597|3.286785|4.308059|5.204746|4.150295|3.212891|2.730326|2.747138|3.269572|4.177941|14.210089|12.488284|0.245212|36.858105| |1.385254|1.366500|1.251795|2.024819|0.040129|0.041905|1.653113|1.804936|0.048263|2.085726|4.008137|2.683894|2.975071|3.773628|4.287002|3.516835|2.842323|2.451742|2.455894|2.855195|3.506762|10.307735|9.069433|0.221947|17.512218|0.500000| |1.356187|1.357067|1.243987|2.015715|0.040313|0.041275|1.654524|1.809815|0.049141|2.099669|4.031654|2.711963|3.021148|3.887029|4.451614|3.589773|2.875126|2.468869|2.471816|2.884064|3.573768|11.326082|7.599295|0.153707|12.539226|0.249677|36.858105| |1.373384|1.385865|1.271700|2.070213|0.041633|0.042287|1.702658|1.877659|0.051447|2.183067|4.234000|2.867788|3.158988|4.064846|4.803490|3.915038|3.087761|2.647016|2.663597|3.142041|3.940706|12.405178|6.816820|0.138982|8.909595|0.175257|17.530808|0.500000| |1.395949|1.390806|1.265860|2.052530|0.040844|0.041759|1.698334|1.832339|0.049417|2.141994|4.011796|2.679337|3.096463|3.989801|4.162380|3.259670|2.716073|2.306942|2.246697|2.526867|3.071827|9.576523|6.626914|0.138793|7.634115|0.193973|12.539447|0.248536|36.858105| |1.363244|1.347619|1.227668|1.975530|0.039149|0.040292|1.626387|1.739511|0.046626|2.017474|3.745611|2.467469|2.839554|3.565289|3.650268|2.924872|2.482625|2.131762|2.077639|2.317472|2.770027|8.064581|5.919328|0.134069|6.946277|0.209671|8.898921|0.174718|17.495844|0.500000| |1.568558|1.562459|1.405182|2.324913|0.046032|0.047174|1.958935|2.127121|0.056879|2.559195|4.777215|3.283667|4.017408|5.574465|5.405681|3.880927|3.224169|2.630787|2.485111|2.751459|3.418221|11.906933|8.054969|0.162076|6.665914|0.162976|7.739044|0.196065|12.513179|0.247494|36.858105| |1.598800|1.610206|1.448493|2.416518|0.048160|0.048870|2.046230|2.249508|0.060791|2.729203|5.163801|3.610826|4.409764|6.266355|6.240401|4.381350|3.579610|2.879983|2.709137|3.010593|3.797429|13.684031|7.377397|0.148441|6.027990|0.137933|7.188541|0.217991|8.951415|0.174968|17.523395|0.500000| |1.648934|1.627386|1.459549|2.435385|0.047878|0.049939|2.053343|2.252416|0.059409|2.734286|5.184417|3.644953|4.506020|6.613752|6.552290|4.455090|3.605517|2.883251|2.710595|3.022492|3.841955|14.664854|13.887351|0.267757|8.019147|0.202117|6.804714|0.164940|8.003002|0.203206|13.390413|0.257482|73.516695| |1.623466|1.608941|1.435510|2.368338|0.046623|0.047616|2.010610|2.132745|0.056626|2.565765|4.602363|3.063734|3.830306|4.880477|4.252721|3.232664|2.864535|2.367535|2.197371|2.350960|2.809324|8.154493|5.159770|0.120352|4.399792|0.116904|4.888505|0.127823|7.313486|0.183946|12.290909|0.249189|13.930494|36.858105| |1.803368|1.777632|1.565634|2.623687|0.051205|0.052594|2.265361|2.390908|0.062585|2.940188|5.155975|3.434984|4.511262|5.607644|4.431234|3.359991|3.071761|2.500628|2.267554|2.376365|2.822201|7.807339|4.786901|0.118252|3.842658|0.102580|3.960859|0.105990|5.178899|0.135541|8.088699|0.193882|12.517929|15.543155|73.516695| |1.496500|1.485436|1.335133|2.163755|0.042773|0.043366|1.814991|1.901785|0.050902|2.235022|3.982155|2.579993|3.099326|3.737849|3.398141|2.719964|2.442631|2.075406|1.951666|2.084592|2.438835|6.580326|4.094276|0.097547|3.821839|0.103748|4.487579|0.116950|6.865353|0.180435|8.104557|0.183474|9.802314|15.376036|15.172005|73.516695| |1.321336|1.324469|1.210444|1.943857|0.038886|0.039303|1.601545|1.713546|0.046639|1.979612|3.669528|2.400324|2.732400|3.363617|3.448808|2.824167|2.419876|2.094918|2.046072|2.273392|2.689865|7.459519|4.589222|0.102786|5.147686|0.132320|8.089666|0.205803|13.654858|0.258227|7.854693|0.198097|9.326495|6.286472|8.010996|12.617418|73.516695| |1.234707|1.234375|1.140675|1.819772|0.036483|0.037306|1.475575|1.600840|0.043633|1.821485|3.475832|2.277548|2.476042|3.028491|3.406890|2.929614|2.421451|2.148107|2.186894|2.540372|3.017189|7.954689|5.129546|0.117763|8.087832|0.206498|13.525348|0.258710|7.833452|0.198375|5.104217|0.132648|8.329289|3.790099|5.608716|6.597421|11.947555|73.516695| |1.373565|1.371909|1.266257|2.056096|0.041149|0.042720|1.668919|1.859097|0.050418|2.134476|4.238833|2.866746|3.023884|3.785386|4.802847|4.247317|3.241478|2.846758|2.983894|3.716086|4.729804|12.406118|7.933890|0.194850|13.609300|0.258901|7.857624|0.199345|5.084768|0.130383|4.623698|0.126465|9.423516|3.378989|5.459218|5.365358|7.092516|12.036346|73.516695| |4.375498|4.757532|3.950531|9.958206|0.182329|0.252398|8.201388|13.594055|0.258636|7.909185|12.563442|4.777599|3.963717|3.094303|2.841324|3.107383|3.974092|4.073238|3.233453|2.712236|2.674188|4.207879|2.176495|0.062988|1.868472|0.049277|1.741033|0.049823|1.743354|0.046341|1.998898|0.058067|3.828108|1.978036|3.902915|3.141819|2.876235|2.758189|3.265408|73.516695| |17.550621|8.790885|6.782951|9.437731|0.147026|0.213057|5.376088|4.194585|0.100931|3.433745|5.228502|2.501129|2.394728|2.054264|1.879638|1.928444|2.197715|2.179208|1.915196|1.729033|1.733477|2.961775|1.609777|0.046473|1.427429|0.038676|1.350576|0.037919|1.381340|0.037550|1.546895|0.043697|2.916271|1.586289|3.119791|2.593236|2.312840|2.189824|2.463520|8.218509|0.500000| |17.595217|8.927572|6.941730|7.575726|0.127051|0.145211|4.607092|3.479622|0.086998|2.966609|4.485485|2.198018|2.154039|1.875347|1.708371|1.727508|1.935438|1.899681|1.686890|1.543720|1.558339|2.722502|1.485946|0.042469|1.327978|0.036055|1.271602|0.035692|1.311858|0.035705|1.463720|0.041297|2.721083|1.521303|2.988645|2.512980|2.217809|2.069579|2.278436|6.236360|0.302084|0.500000| |17.606239|8.720825|5.458416|9.286623|0.141292|0.175608|6.542949|4.524939|0.105807|3.883285|5.566441|2.683824|2.655206|2.251884|2.008149|2.016148|2.286578|2.199040|1.912173|1.745299|1.781699|3.148892|1.715911|0.049190|1.508642|0.040857|1.437104|0.040322|1.489975|0.040463|1.688570|0.047661|3.163507|1.763166|3.521533|2.874878|2.499033|2.313835|2.569158|7.902305|0.300306|0.303416|0.500000| |8.841384|17.604746|8.859179|12.472720|0.216747|0.180630|7.084525|4.632245|0.120669|3.678573|5.331602|2.524065|2.440067|2.074922|1.877131|1.911688|2.183182|2.146297|1.874128|1.693366|1.706438|2.953839|1.578988|0.044530|1.404098|0.037641|1.358025|0.038589|1.400326|0.037621|1.575799|0.045207|2.889787|1.637144|3.221596|2.697840|2.384833|2.194384|2.409289|7.382610|0.172970|0.211086|0.212611|0.500000| |6.817009|8.782275|17.552194|9.478259|0.186772|0.201552|4.530045|3.792523|0.101523|2.959511|4.705835|2.233042|2.081097|1.805000|1.690022|1.769309|2.023941|2.079707|1.855124|1.652901|1.621886|2.682960|1.436295|0.041024|1.291890|0.034744|1.233995|0.034988|1.248928|0.033704|1.382244|0.039501|2.569530|1.401961|2.710182|2.313784|2.114605|2.015196|2.257670|7.274888|0.201253|0.171247|0.138941|0.173041|0.500000| |5.464243|8.755772|17.550729|9.581067|0.226109|0.168673|4.702999|3.849695|0.108976|2.988601|4.697798|2.225695|2.080117|1.801732|1.682300|1.756912|2.009642|2.059104|1.833696|1.635172|1.607500|2.671662|1.418725|0.040086|1.278805|0.034215|1.234395|0.035216|1.252700|0.033614|1.387757|0.039959|2.547329|1.413355|2.727506|2.342338|2.138745|2.013777|2.230227|6.738408|0.139004|0.141425|0.122121|0.212888|0.299963|0.500000| |6.863184|8.890557|17.598819|7.617744|0.149808|0.141538|4.074611|3.259389|0.087750|2.663366|4.165496|2.020711|1.929525|1.689983|1.570340|1.617653|1.821890|1.839089|1.650106|1.493492|1.481425|2.513365|1.352986|0.038381|1.222301|0.032956|1.178196|0.033363|1.202755|0.032510|1.329060|0.037902|2.446273|1.364402|2.639508|2.268866|2.050982|1.928370|2.121323|5.817983|0.167770|0.208263|0.140849|0.212071|0.302004|0.302591|0.500000| |6.831832|6.902572|4.546127|12.408235|0.181534|0.221159|17.669479|8.855231|0.173766|7.058457|8.605203|3.829036|3.710517|2.935927|2.550812|2.582307|3.056156|2.879765|2.396159|2.145960|2.206315|3.860231|2.054364|0.058661|1.765462|0.047122|1.676460|0.047516|1.733579|0.046440|2.008480|0.057611|3.777453|2.081054|4.216978|3.326425|2.888246|2.654693|2.999725|12.771398|0.167745|0.140751|0.237522|0.180926|0.117645|0.114227|0.108194|0.500000| |5.255359|6.709806|4.650712|12.331555|0.223687|0.181877|17.628174|8.729481|0.215117|6.571822|8.194454|3.639770|3.490011|2.791017|2.448914|2.493465|2.949759|2.815383|2.353488|2.100502|2.146203|3.728320|1.949859|0.054594|1.694220|0.044812|1.638149|0.046999|1.693190|0.044886|1.953559|0.056967|3.581203|2.027254|4.060075|3.275549|2.866586|2.598362|2.887058|10.318598|0.124686|0.119176|0.158644|0.209649|0.112926|0.127768|0.109734|0.299625|0.500000| |3.712031|3.729522|2.970374|6.447717|0.116441|0.131685|7.010451|8.887182|0.174451|17.540416|16.566668|7.112329|6.967313|4.662013|3.785911|3.794943|4.743928|4.045534|3.152010|2.820656|3.007762|5.346796|2.779407|0.079890|2.277294|0.059850|2.122434|0.060431|2.188565|0.057892|2.634198|0.076459|5.098875|2.676402|5.562912|4.110703|3.558435|3.268770|3.829808|12.607839|0.101015|0.086356|0.117994|0.100486|0.080638|0.078927|0.073150|0.216096|0.164452|0.500000| |3.274212|3.549465|2.885110|6.151140|0.119893|0.117039|6.768331|8.828514|0.215627|17.541194|16.507481|7.059020|6.801786|4.603912|3.767298|3.794305|4.758370|4.081910|3.175500|2.832875|3.012873|5.339707|2.680378|0.074196|2.229225|0.057653|2.140869|0.062271|2.211434|0.057396|2.665168|0.079973|4.926731|2.719083|5.576970|4.220494|3.677759|3.288856|3.754290|10.121799|0.086140|0.078174|0.100458|0.100583|0.076234|0.079804|0.071067|0.172006|0.190547|0.299784|0.500000| |2.641851|2.659166|2.238665|4.245925|0.081350|0.085284|4.065108|4.751962|0.116428|7.616924|12.567203|8.956762|17.756536|8.955657|5.696236|4.941292|5.597053|4.125201|3.282578|3.132948|3.611549|7.500610|3.807594|0.105506|2.936550|0.075523|2.755416|0.078984|2.912269|0.075246|3.771822|0.112112|7.314757|3.848996|8.460453|5.573107|4.641522|4.072128|4.744370|7.196785|0.071456|0.065004|0.082115|0.074165|0.060538|0.060754|0.056871|0.118124|0.109555|0.236730|0.225787|0.500000| |1.999350|1.992132|1.745910|3.050182|0.059614|0.061959|2.685482|3.013301|0.078308|3.961983|7.442863|5.663193|8.881209|17.739977|8.938173|5.587458|4.896767|3.588281|3.122771|3.281534|4.132665|12.596305|6.650411|0.166508|4.463836|0.111009|4.152931|0.117183|4.587865|0.114042|7.104091|0.210765|14.848110|6.557925|14.529685|8.222537|6.749045|5.660820|6.578776|4.921864|0.054704|0.050714|0.060771|0.055560|0.047636|0.047633|0.045209|0.077242|0.073401|0.116185|0.114583|0.219655|0.500000| |2.324532|2.476873|2.272616|4.189916|0.087069|0.090553|3.419261|4.703536|0.137110|5.060522|13.780709|6.982440|4.676084|3.913260|4.132982|5.590335|8.828672|17.743996|9.012037|5.631494|4.932597|5.884851|2.790359|0.079884|2.388719|0.060518|2.189838|0.064710|2.080988|0.053845|2.365873|0.071315|4.558718|2.183104|4.136671|3.432097|3.397593|3.425744|4.374046|8.759247|0.066358|0.057065|0.066061|0.065475|0.064502|0.063867|0.056045|0.088058|0.086706|0.119944|0.121618|0.110325|0.089399|0.500000| |1.812059|1.902064|1.801573|3.045764|0.063510|0.065426|2.382660|2.941626|0.085195|3.096712|7.067937|4.135634|3.289184|3.124123|3.593159|4.920204|5.618263|9.010052|17.705625|8.828284|5.648246|5.623109|2.669396|0.076261|2.408179|0.060649|2.192601|0.065240|2.002331|0.051839|2.181766|0.065470|4.184057|1.955697|3.578467|3.128160|3.279990|3.514739|4.661883|5.498407|0.051911|0.045663|0.051031|0.050615|0.051427|0.050763|0.045428|0.062818|0.062091|0.078714|0.079393|0.078731|0.073910|0.217085|0.500000| |1.555726|1.602890|1.508591|2.493160|0.051217|0.052789|1.976972|2.339530|0.066051|2.569066|5.598562|3.598942|3.136142|3.289951|4.146420|5.617681|4.921725|5.649762|8.830845|17.716136|9.010580|7.126184|3.297912|0.093106|3.098641|0.075839|2.753297|0.083054|2.378663|0.060985|2.517150|0.075701|4.859615|2.153618|3.822393|3.445501|3.840045|4.430413|6.470054|4.248985|0.044221|0.039706|0.044356|0.043207|0.042668|0.042185|0.038676|0.053383|0.052410|0.067702|0.067976|0.074145|0.078798|0.124190|0.213781|0.500000| |1.578839|1.606591|1.482556|2.480082|0.050178|0.051898|2.024493|2.365515|0.065224|2.743792|5.884155|4.166391|3.959811|4.722121|7.101974|8.876527|5.603851|4.933949|5.621434|8.968127|17.760746|14.137656|5.617704|0.151350|5.070887|0.113681|4.208609|0.130253|3.420218|0.085010|3.677921|0.112737|7.347434|2.914912|5.065469|4.525506|5.248236|6.288534|11.087068|4.171758|0.044441|0.040330|0.045824|0.043761|0.041478|0.041126|0.038223|0.055666|0.054158|0.074088|0.074101|0.090331|0.111369|0.107237|0.123907|0.215606|0.500000| |1.349500|1.350181|1.229145|1.973377|0.039378|0.039737|1.632424|1.731387|0.046975|2.004517|3.662332|2.378381|2.744656|3.336644|3.286556|2.685325|2.347724|2.027232|1.955863|2.138385|2.508460|6.804670|4.177415|0.095945|4.373804|0.115627|6.025279|0.156391|10.138036|0.228182|7.749850|0.189453|8.984871|7.551553|9.074566|18.086737|35.184236|9.056631|6.115697|2.888013|0.036755|0.035450|0.040033|0.038142|0.033436|0.033890|0.032607|0.046164|0.045875|0.056571|0.058623|0.074271|0.107236|0.051828|0.049111|0.056103|0.074939|0.500000| |1.199672|1.201745|1.111474|1.764860|0.035439|0.036034|1.430137|1.541908|0.042153|1.748107|3.305835|2.146002|2.338244|2.821304|3.095967|2.677076|2.254885|2.009762|2.034796|2.329287|2.725509|6.966431|4.335513|0.100667|6.000622|0.156716|9.935857|0.225112|7.641276|0.190692|4.858504|0.127741|7.461346|3.776437|5.501292|6.864267|14.106061|35.659661|9.109703|2.641520|0.033129|0.031505|0.035118|0.033507|0.030594|0.030709|0.029423|0.040143|0.039570|0.048892|0.049689|0.060768|0.083156|0.050507|0.051418|0.063447|0.086838|0.159650|0.500000| |1.286863|1.286785|1.193470|1.917311|0.038474|0.039753|1.546382|1.709100|0.046567|1.939784|3.813696|2.528802|2.653001|3.235110|3.942448|3.571992|2.828177|2.539296|2.680357|3.290099|3.992332|9.544342|5.934001|0.147087|9.978872|0.224885|7.696860|0.193012|4.864262|0.126473|4.146394|0.113107|7.940024|3.118153|4.974866|5.106452|7.095117|14.329705|35.681570|2.999350|0.036019|0.033498|0.037499|0.035376|0.033226|0.032899|0.031338|0.043345|0.041968|0.054218|0.053563|0.066084|0.088983|0.061787|0.066641|0.091720|0.141520|0.094128|0.162230|0.500000| 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