Version2.0 2020-02-02T11:10:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H](c4ccc(cc4)OC)[NH+](C)C C39663876 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H](c4ccc(cc4)OC)[NH+](C)C C01[X(C29H42N4O3)] 228 C1 624 COc1ccc(cc1)[C@@H]([NH+](C)C)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)C)C COc1ccc(cc1)[C@@H]([NH+](C)C)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)C)C COc1ccc(cc1)[C@H](CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(C)c(C)c4)[NH+](C)C InChIKey=BTJVZBOKHDMIOV-UIOOFZCWSA-P InChI=1S/C29H40N4O3/c1-20-6-7-23(16-21(20)2)28(35)33-18-25(29(19-33)12-14-30-15-13-29)27(34)31-17-26(32(3)4)22-8-10-24(36-5)11-9-22/h6-11,16,25-26,30H,12-15,17-19H2,1-5H3,(H,31,34)/p+2/t25-,26-/m0/s1 InChI=1/C29H40N4O3/c1-20-6-7-23(16-21(20)2)28(35)33-18-25(29(19-33)12-14-30-15-13-29)27(34)31-17-26(32(3)4)22-8-10-24(36-5)11-9-22/h6-11,16,25-26,30H,12-15,17-19H2,1-5H3,(H,31,34)/p+2/t25-,26-/m0/s1/fC29H42N4O3/h30-32H/q+2 Cc1ccc(cc1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H](c4ccc(cc4)OC)[NH+](C)C C01[X(C29H42N4O3)] 228 C01 624 COc1ccc(cc1)[C@@H]([NH+](C)C)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)C)C COc1ccc(cc1)[C@@H]([NH](C)C)CNC(=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccc(c(c1)C)C COc1ccc(cc1)[C@H](CNC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)c4ccc(C)c(C)c4)[NH](C)C InChIKey=LRKMHFVPUMKAMA-UIOOFZCWSA-N InChI=1S/C29H42N4O3/c1-20-6-7-23(16-21(20)2)28(35)33-18-25(29(19-33)12-14-30-15-13-29)27(34)31-17-26(32(3)4)22-8-10-24(36-5)11-9-22/h6-11,16,25-26,32H,12-15,17-19,30H2,1-5H3,(H,31,34)/t25-,26-/m0/s1 InChI=1/C29H42N4O3/c1-20-6-7-23(16-21(20)2)28(35)33-18-25(29(19-33)12-14-30-15-13-29)27(34)31-17-26(32(3)4)22-8-10-24(36-5)11-9-22/h6-11,16,25-26,32H,12-15,17-19,30H2,1-5H3,(H,31,34)/t25-,26-/m0/s1/f/h31H 3936.3523298178 -1564.5831817 1-A 26032.4065 133 491 624 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.75439 -20.73112 -20.68783 -15.91631 -15.91455 -15.79347 -15.74785 -11.55319 -11.51309 -11.50825 -11.50811 -11.49804 -11.49740 -11.49173 -11.48658 -11.48383 -11.45363 -11.45224 -11.44663 -11.44256 -11.44052 -11.43734 -11.43352 -11.43172 -11.43051 -11.42922 -11.41224 -11.40731 -11.37563 -11.37440 -11.37426 -11.36679 -11.36551 -11.35890 -11.33767 -11.33675 -1.60080 -1.58762 -1.55606 -1.55025 -1.54894 -1.44536 -1.43430 -1.35083 -1.32003 -1.29695 -1.27498 -1.26838 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705.7703 756.4429 781.3455 791.8903 804.2004 804.6230 818.0218 842.9961 852.1939 861.3657 871.5045 878.3556 892.0497 919.5606 931.4233 936.2761 937.0243 943.1735 951.4856 959.9809 961.5642 985.1423 1009.0807 1030.8924 1035.5059 1049.2490 1063.6568 1068.4459 1079.9019 1083.9394 1091.5116 1091.8000 1097.9551 1102.1852 1104.1101 1107.5676 1113.5692 1129.9920 1139.8780 1142.7833 1144.5690 1157.8542 1158.5082 1166.9019 1182.5252 1190.7633 1215.4685 1226.7050 1232.9970 1240.4748 1253.6954 1254.9477 1280.2611 1286.9734 1290.4589 1296.9829 1301.5900 1302.7090 1315.9657 1320.4805 1324.8453 1329.6728 1332.6909 1342.8899 1346.3323 1355.9055 1362.5496 1373.1271 1382.3738 1414.4533 1414.5182 1438.6741 1449.0885 1449.8204 1454.2476 1455.9742 1459.5446 1489.2068 1498.0976 1504.0440 1515.7194 1525.4462 1535.2403 1543.2597 1555.4688 1557.8621 1561.2799 1563.0366 1566.3533 1568.7811 1570.6621 1577.6688 1579.7695 1585.8942 1588.3922 1596.7989 1620.9571 1623.0813 1625.4419 1630.3686 1632.4202 1634.3934 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1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 1.00783 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 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 13456.5444 38306.0718 41210.4808 0.99994 0.00347 0.01011 -0.00338 0.99996 -0.00869 -0.01014 0.00866 0.99991 1 0.00644 0.00226 0.00210 0.13412 0.04711 0.04379 10.70 21.31 32.16 42.40 51.51 58.58 77.58 82.47 85.58 104.81 109.78 148.30 157.40 175.72 182.32 186.41 212.27 214.77 235.84 268.53 272.08 283.53 294.04 318.51 340.15 353.52 372.53 381.60 390.10 402.10 415.22 423.80 464.48 475.96 484.71 493.66 521.85 540.17 572.88 587.35 598.17 614.57 666.59 672.52 677.05 680.74 689.19 705.32 715.50 744.92 760.98 790.36 802.92 821.09 831.93 857.11 867.06 893.63 951.43 986.79 1000.53 1015.45 1088.35 1124.18 1139.35 1157.07 1157.67 1176.95 1212.88 1226.12 1239.31 1253.90 1263.76 1283.46 1323.04 1340.11 1347.09 1348.17 1357.02 1368.98 1381.20 1383.48 1417.40 1451.84 1483.22 1489.86 1509.64 1530.36 1537.26 1553.74 1559.55 1570.44 1570.86 1579.71 1585.80 1588.57 1593.54 1602.18 1625.81 1640.03 1644.21 1646.78 1665.89 1666.83 1678.91 1701.39 1713.24 1748.79 1764.95 1774.01 1784.77 1803.79 1805.59 1842.01 1851.67 1856.68 1866.07 1872.70 1874.31 1893.38 1899.88 1906.16 1913.10 1917.44 1932.12 1937.07 1950.85 1960.40 1975.62 1988.93 2035.08 2035.18 2069.93 2084.92 2085.97 2092.34 2094.82 2099.96 2142.64 2155.43 2163.98 2180.78 2194.78 2208.87 2220.41 2237.97 2241.42 2246.33 2248.86 2253.63 2257.13 2259.83 2269.91 2272.94 2281.75 2285.34 2297.44 2332.20 2335.25 2338.65 2345.74 2348.69 2351.53 2354.56 2356.50 2357.00 2358.66 2363.45 2369.11 2370.86 2374.72 2377.01 2381.78 2399.85 2403.92 2407.76 2414.74 2444.72 2451.69 2537.31 2538.83 2599.85 2602.96 2630.37 2742.74 2783.72 4595.57 4607.86 4618.64 4623.61 4643.06 4658.88 4673.82 4683.71 4695.72 4698.44 4702.06 4702.46 4710.67 4723.47 4737.41 4737.49 4745.25 4748.23 4754.87 4774.98 4779.00 4794.39 4797.08 4807.48 4815.72 4830.69 4835.94 4837.73 4840.33 4846.68 4846.83 4859.23 4868.91 4877.32 4882.06 4888.23 4901.31 4918.58 5273.84 5328.60 5362.85 5594.76 0.741676 0.775265 0.776209 0.672563 -1563.841506 -1563.807917 -1563.806972 -1563.910619 3.476337D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE Cc1ccc(cc1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H](c4ccc(cc4)OC)[NH+](C)C C39663876 RHF 6-31G(d) (6D,10F) C1 494.325692 |X|Y|Z| 68.899540 56.066085 134.691169 80.430091 27 6 7 24 3 |36.858105| |12.619585|36.858105| |7.588790|13.719051|36.858105| |5.020734|7.877954|13.768979|36.858105| |4.427320|6.819550|7.955995|13.737245|36.858105| |5.022700|7.937012|6.928775|7.946371|13.673587|36.858105| |7.516095|13.564046|7.907927|6.813207|7.857002|13.773552|36.858105| |6.443139|7.504669|5.008152|4.422857|5.008019|7.592958|12.605312|36.858105| |3.291539|4.452793|5.043763|7.558916|12.813567|7.708497|5.064769|3.829096|36.858105| |2.945020|3.820166|4.044631|5.345434|8.079353|6.709096|4.532480|3.687798|15.817023|73.516695| |2.890232|3.725941|4.418608|6.471327|7.747276|5.185689|3.925574|3.090681|13.737728|15.054911|53.358707| |2.881901|3.639160|4.376853|6.051782|6.300429|4.545296|3.686156|2.931209|7.624460|9.698567|17.788573|36.858105| |2.356397|2.838391|3.225612|4.046152|4.328542|3.505565|2.928304|2.467054|5.359655|8.025815|10.734396|12.090543|36.858105| |2.323919|2.766028|3.061509|3.697414|3.986180|3.389532|2.878505|2.468621|4.655992|7.181623|8.122841|8.672740|17.560119|0.500000| |2.200131|2.648464|2.930609|3.671320|4.184476|3.469556|2.822285|2.419966|5.763406|9.583213|11.008428|7.714106|12.229579|0.241866|36.858105| |2.379280|2.923512|3.323574|4.376101|5.033304|3.903831|3.096400|2.582769|7.835619|12.590275|17.928027|8.097806|8.004706|0.160700|12.367233|36.858105| |2.240380|2.699795|2.864612|3.497836|4.231334|3.752687|2.998216|2.629702|5.714661|10.389088|8.718900|6.008726|7.606945|0.208904|12.309814|7.456765|36.858105| |2.056447|2.442189|2.535630|3.023460|3.675244|3.413355|2.751546|2.487884|4.902477|10.206519|6.767839|4.285819|4.893866|0.131164|7.430212|6.081221|12.526810|36.858105| |1.786600|2.074819|2.170258|2.540557|2.935951|2.714958|2.275291|2.081044|3.734205|7.399149|5.442290|3.596758|4.327680|0.115097|6.440222|5.158677|7.702850|12.619353|53.358707| |1.697216|1.954824|2.026104|2.342529|2.699112|2.540668|2.149618|1.992717|3.367213|6.833084|4.743591|3.095869|3.554820|0.094674|4.924803|4.356995|5.685760|9.164916|25.669697|0.500000| |1.708332|1.964696|2.044041|2.359432|2.691022|2.519017|2.145082|1.981137|3.304691|6.356010|4.824689|3.353813|4.141271|0.115345|5.688936|4.346586|6.983178|9.192532|25.681803|0.328787|0.500000| |1.755765|2.037770|2.181730|2.581481|2.894644|2.584041|2.182061|1.962868|3.708806|7.026900|5.811529|3.840556|4.796162|0.119354|7.501011|6.086596|6.545253|7.553878|17.215651|0.254986|0.255549|36.858105| |1.870247|2.185577|2.385949|2.864252|3.151943|2.729934|2.305238|2.035653|4.033708|7.099186|6.914368|4.938026|7.222296|0.168837|12.383200|7.419436|7.663895|6.454252|10.371494|0.156930|0.192129|12.472352|36.858105| |2.128613|2.490720|2.862282|3.460418|3.460385|2.854597|2.487973|2.125003|4.019593|6.179929|7.577338|7.617380|12.513254|0.248707|7.279234|5.926227|4.923386|3.708162|4.871796|0.084437|0.096727|4.207113|6.271772|36.858105| |1.975441|2.290549|2.631577|3.160879|3.141506|2.603596|2.280923|1.962515|3.688137|5.826807|6.849634|5.888315|7.898013|0.165183|6.438448|5.853915|4.301522|3.487516|4.786522|0.084305|0.093428|4.393985|6.425068|15.827967|73.516695| |2.099059|2.408857|2.755263|3.201813|3.107049|2.631245|2.364596|2.038376|3.384129|5.217755|5.894538|6.012990|7.841961|0.209173|5.014009|4.264463|3.953867|3.068809|4.022974|0.071273|0.081924|3.310451|4.500655|14.037856|15.195259|53.358707| |1.927743|2.162652|2.473312|2.790644|2.640264|2.269739|2.087517|1.819451|2.806861|4.400502|4.707331|4.387519|5.041938|0.133225|3.774968|3.437042|3.075663|2.530613|3.392383|0.061556|0.069047|2.809317|3.609242|7.817454|12.400593|17.966073|36.858105| |1.676365|1.856965|2.074159|2.308596|2.235913|1.968755|1.816489|1.615106|2.400738|3.881483|3.916980|3.437982|4.113629|0.112173|3.357815|2.983766|2.802356|2.371908|3.290461|0.060066|0.068155|2.740458|3.460832|5.866511|10.280181|10.544380|12.358797|36.858105| |1.633883|1.820762|2.029370|2.284815|2.243959|1.969738|1.798144|1.599932|2.463366|4.025296|4.061115|3.472446|4.311095|0.114220|3.661720|3.215786|2.974990|2.538457|3.604153|0.065498|0.074548|3.091717|3.975017|6.313787|12.201578|9.643342|8.926321|17.630757|0.500000| |1.615321|1.776206|1.948005|2.139565|2.101443|1.888289|1.752424|1.578209|2.236626|3.653431|3.555845|3.119704|3.770753|0.110049|3.111788|2.683436|2.730836|2.310354|3.203069|0.058477|0.067836|2.582368|3.204666|4.815911|7.847253|8.654712|7.469227|12.603291|0.247131|36.858105| |1.522414|1.675504|1.813473|1.996201|2.002543|1.819477|1.677890|1.526187|2.161810|3.596707|3.401260|2.905864|3.621831|0.107612|3.141434|2.632066|2.814929|2.411255|3.426254|0.062396|0.074163|2.747858|3.382400|4.368766|7.230948|6.988082|5.226009|7.554446|0.203789|13.644633|36.858105| |1.453952|1.586605|1.693042|1.839996|1.858191|1.718298|1.597071|1.471030|1.984021|3.331377|3.045984|2.572041|3.122236|0.095301|2.768035|2.328510|2.597679|2.256635|3.190928|0.058652|0.070053|2.474502|2.938281|3.505155|5.735426|5.482160|3.970196|5.021432|0.133313|7.890473|13.861464|36.858105| |1.461680|1.579734|1.678573|1.798610|1.799813|1.677542|1.579271|1.460889|1.883572|3.144402|2.854576|2.428095|2.837523|0.087318|2.476570|2.127652|2.361954|2.052027|2.836491|0.052547|0.061700|2.164993|2.534821|3.126123|5.046671|5.035985|3.713135|4.413290|0.110438|6.791236|7.920676|13.627761|36.858105| |1.543181|1.663035|1.783067|1.900644|1.870003|1.730702|1.640762|1.506289|1.931641|3.180807|2.942573|2.547764|2.906567|0.088622|2.460873|2.153131|2.311279|1.988288|2.705083|0.050124|0.057902|2.080128|2.456052|3.276355|5.238137|5.563223|4.307827|4.991678|0.115941|7.861582|6.877101|7.920471|13.689176|36.858105| |1.626877|1.767973|1.927559|2.077395|2.020659|1.836787|1.730674|1.567142|2.098769|3.415991|3.266975|2.878772|3.308486|0.098620|2.720910|2.392807|2.467097|2.096716|2.851381|0.052525|0.060317|2.241185|2.707517|3.965910|6.329548|7.197687|6.112131|7.512353|0.154921|13.721453|7.987328|6.906077|7.932370|13.744682|36.858105| |1.379392|1.479365|1.552917|1.648847|1.660297|1.569431|1.486577|1.391751|1.727784|2.912497|2.572599|2.151080|2.469468|0.076063|2.209962|1.912971|2.162346|1.911593|2.641268|0.049402|0.057798|1.979285|2.259135|2.627885|4.278733|4.085292|2.964323|3.377766|0.087151|4.613499|5.323967|8.246833|14.354048|7.899956|5.221847|73.516695| |1.354770|1.437369|1.500268|1.572183|1.572666|1.498773|1.436679|1.353523|1.612343|2.713621|2.372739|1.978126|2.205729|0.067571|1.972029|1.738991|1.944781|1.729812|2.359841|0.044474|0.051183|1.755672|1.980570|2.321046|3.783850|3.611484|2.647773|2.909090|0.074191|3.765822|3.980581|5.245746|7.991202|6.679104|4.497231|23.983350|36.858105| |1.545468|1.686604|1.878789|2.054092|1.965837|1.747424|1.634899|1.464553|2.079041|3.389303|3.314123|2.805980|3.159361|0.085318|2.704438|2.508342|2.307454|2.015339|2.805515|0.052202|0.057769|2.323177|2.796972|4.169211|7.726694|6.800002|7.502960|12.390877|0.253696|7.638071|5.420475|4.074961|3.769637|4.321635|6.066489|5.339365|2.672591|53.358707| |1.545735|1.673354|1.858488|2.006324|1.907233|1.707187|1.612661|1.449147|1.986274|3.229841|3.125820|2.663881|2.934308|0.080659|2.492024|2.319688|2.169619|1.894242|2.607850|0.048689|0.053825|2.121419|2.525507|3.736099|6.653628|6.278790|6.779378|9.209227|0.182400|7.321152|5.017947|3.996629|3.919487|4.765482|6.885370|5.541594|2.835581|25.719652|0.500000| |1.567265|1.710238|1.926680|2.109617|1.990550|1.753469|1.643032|1.463040|2.101126|3.413841|3.360042|2.788608|3.021332|0.078936|2.628130|2.539500|2.212441|1.954430|2.710169|0.050802|0.054913|2.268761|2.694096|3.973680|7.791139|6.070577|6.505835|7.452734|0.188395|4.941977|3.918788|3.123009|2.922600|3.277256|4.247052|4.331053|2.219558|17.317174|0.259340|36.858105| |1.386779|1.504612|1.653019|1.797725|1.745254|1.572089|1.472064|1.334472|1.856092|3.079836|2.911480|2.396624|2.722368|0.074216|2.433796|2.243701|2.114862|1.887725|2.680065|0.050308|0.055673|2.216115|2.601337|3.422745|6.437242|5.232917|4.927607|7.593070|0.201482|6.379248|5.417615|4.185538|3.743841|4.019145|5.083377|5.403043|2.665943|17.298503|0.260848|7.784555|36.858105| |17.551657|8.837338|5.883310|4.291074|3.959019|4.587458|6.686888|6.534500|3.035337|4.879543|3.665655|2.738811|2.283784|0.063650|2.122003|2.243342|2.191272|2.005627|2.372965|0.045964|0.046689|1.699070|1.811728|2.058306|3.369362|2.793058|1.880454|1.644989|0.044361|1.603970|1.515838|1.459708|1.477270|1.558555|1.628350|2.492470|1.384773|2.060260|0.042238|1.520327|1.362109|0.500000| |17.555293|8.845847|5.910446|4.302996|3.964145|4.594543|6.681318|6.517324|3.047629|4.990947|3.609607|2.581656|2.148977|0.058629|2.047538|2.227305|2.093078|1.959446|2.327575|0.045520|0.045303|1.675565|1.760579|1.948576|3.252119|2.594673|1.760929|1.548880|0.042178|1.491988|1.415298|1.354169|1.356741|1.423670|1.496225|2.285471|1.262054|1.954774|0.039793|1.460610|1.298810|0.302802|0.500000| |17.600386|8.855161|7.324950|4.782635|3.977397|4.185628|5.552725|4.729864|3.044221|4.798617|3.762377|2.799967|2.292059|0.062472|2.114334|2.289410|2.112487|1.930053|2.312199|0.044772|0.045199|1.689596|1.811586|2.113502|3.503235|2.865432|1.961146|1.696551|0.045683|1.625583|1.518888|1.445732|1.458537|1.552046|1.644567|2.439043|1.351439|2.146459|0.043990|1.609850|1.408303|0.301765|0.302005|0.500000| |7.071045|8.936676|17.719460|8.956192|5.660917|4.981355|5.632764|4.081858|4.103008|6.007651|5.216479|3.914786|2.967551|0.078195|2.662833|2.993187|2.553622|2.268809|2.701925|0.051611|0.052223|2.019847|2.217054|2.736715|4.518666|3.655637|2.473895|2.065212|0.055678|1.927666|1.775791|1.654554|1.649975|1.769117|1.921525|2.708522|1.479502|2.581295|0.052430|1.963456|1.659863|0.152722|0.154042|0.227157|0.500000| |4.105540|5.629400|8.942840|17.730670|8.882285|5.638967|4.922770|3.540360|6.914137|8.740026|9.640751|6.807621|4.380749|0.106941|3.870981|4.761772|3.475438|2.975100|3.483395|0.065208|0.065870|2.678810|3.031017|3.894502|6.407867|4.845946|3.128668|2.530743|0.069634|2.291327|2.111461|1.917634|1.864428|1.983787|2.204331|3.007430|1.605055|3.065363|0.060752|2.349213|1.945995|0.099469|0.100004|0.114164|0.216860|0.500000| |4.087357|5.642335|4.982989|5.663970|8.951242|17.737808|8.944420|7.058485|7.226520|13.239398|6.579178|4.144262|3.390915|0.092129|3.508903|3.867510|4.001043|3.785869|3.982676|0.076677|0.075082|2.700430|2.783482|2.728950|4.446577|3.393271|2.144023|1.891616|0.052978|1.829381|1.787291|1.698334|1.649079|1.681719|1.770520|2.759611|1.477380|2.280626|0.045323|1.670712|1.522985|0.107714|0.108030|0.096074|0.108045|0.124260|0.500000| |6.522903|6.670772|4.580977|3.959795|4.288189|5.904506|8.828861|17.556648|3.379441|5.863849|3.778667|2.609743|2.217131|0.061072|2.189517|2.361414|2.341109|2.249515|2.605598|0.051367|0.050527|1.819928|1.871930|1.945422|3.235195|2.541098|1.689189|1.507175|0.041523|1.466850|1.417582|1.365554|1.356111|1.398943|1.456301|2.300326|1.261233|1.878295|0.037940|1.387256|1.261797|0.174547|0.212601|0.133401|0.107890|0.090342|0.153602|0.500000| |6.499725|6.654555|4.566979|3.951961|4.284320|5.890456|8.819021|17.549318|3.365484|5.690134|3.846215|2.774516|2.367889|0.066861|2.283119|2.382445|2.483090|2.322044|2.671710|0.052044|0.052510|1.851496|1.935187|2.055966|3.352730|2.728184|1.794764|1.596100|0.043625|1.573632|1.519422|1.474702|1.477087|1.526892|1.577946|2.512757|1.384147|1.972192|0.040058|1.438755|1.320188|0.212391|0.173325|0.133118|0.107399|0.089989|0.152754|0.302731|0.500000| |4.730367|5.550353|4.177954|3.974702|4.772931|7.329868|8.857027|17.594367|3.885166|6.965611|4.203783|2.880160|2.476193|0.069133|2.485483|2.630397|2.773840|2.678725|3.009694|0.059143|0.058393|2.047955|2.095193|2.107841|3.465356|2.726385|1.776764|1.591576|0.044068|1.561898|1.525169|1.474678|1.456736|1.488628|1.542197|2.475710|1.348729|1.956631|0.039362|1.429826|1.317941|0.133528|0.133404|0.103971|0.095986|0.090483|0.226687|0.302321|0.301945|0.500000| |3.220634|4.148733|4.907932|6.627846|7.045148|5.220875|4.238595|3.309597|7.311673|9.330165|12.329733|17.651402|8.615540|0.225928|6.042406|5.942588|5.610626|4.035721|4.502908|0.080010|0.087316|3.362564|4.132244|5.836232|8.114378|7.164582|3.938119|3.136077|0.085987|2.955662|2.758493|2.505118|2.414675|2.543341|2.816272|3.845539|2.012836|3.525434|0.069634|2.537259|2.227237|0.086254|0.078522|0.085760|0.118399|0.186214|0.129143|0.079870|0.088116|0.089612|0.500000| |2.881296|3.572092|4.491602|6.080717|5.507947|4.025885|3.438194|2.736242|5.985370|7.933470|12.320207|17.592817|8.657084|0.183986|5.834614|6.446310|4.544401|3.501157|4.194066|0.075217|0.080437|3.369319|4.266273|7.760438|11.112628|8.904183|5.005613|3.691976|0.101668|3.227072|2.904788|2.536164|2.415176|2.589732|2.993862|3.769863|1.962126|4.150534|0.080579|3.106383|2.536791|0.075301|0.071330|0.079792|0.116994|0.213674|0.099652|0.068830|0.072425|0.073289|0.303520|0.500000| |2.238712|2.699710|3.118153|4.019736|4.286426|3.362368|2.774867|2.330713|5.900844|9.426341|12.481975|6.959805|7.046281|0.140985|8.847756|17.574174|5.474726|4.712325|6.011348|0.106642|0.106064|5.613567|6.990886|6.357607|12.693002|6.043860|3.708618|3.206231|0.097619|2.781628|2.693717|2.338504|2.125459|2.166099|2.446072|3.368582|1.719612|3.699033|0.068846|2.818579|2.414510|0.058378|0.058349|0.060789|0.080259|0.127336|0.090753|0.060055|0.060131|0.065122|0.140897|0.178353|0.500000| |2.310678|2.826345|3.131296|4.030756|4.808560|3.892864|3.059665|2.593866|7.627479|14.901021|12.503797|5.808969|5.654758|0.126602|8.547674|17.718369|6.813948|6.739780|7.615880|0.136675|0.124150|6.346120|6.379066|4.473656|8.051904|4.689684|2.886703|2.578657|0.077132|2.354301|2.339821|2.104491|1.929026|1.935908|2.119554|3.125056|1.606019|3.021286|0.057299|2.254162|2.023133|0.060354|0.061024|0.061224|0.077855|0.117465|0.110868|0.066414|0.065605|0.074503|0.132384|0.135034|0.301911|0.500000| |2.537627|3.132966|3.290520|4.076169|5.229309|4.667365|3.576478|3.080074|7.122490|12.570279|9.758498|6.649954|7.022399|0.198879|8.690263|6.863702|17.632368|9.055325|7.650186|0.127477|0.143675|4.883717|5.521951|4.514161|6.888870|5.143754|2.954531|2.630485|0.075829|2.569259|2.593000|2.418294|2.252019|2.236249|2.378004|3.686902|1.894528|2.982150|0.057931|2.113700|1.989446|0.069049|0.065340|0.065568|0.079490|0.108481|0.140395|0.074536|0.080261|0.090818|0.188903|0.134094|0.139212|0.175962|0.500000| |2.102197|2.482947|2.607662|3.084609|3.599440|3.291965|2.729309|2.443896|4.457731|7.916944|6.731644|5.150333|6.971101|0.224593|8.806362|5.469980|17.499663|8.899657|9.453640|0.144290|0.204997|5.784799|6.969400|4.786987|7.252815|5.493022|3.115677|2.903090|0.085207|2.925226|3.089889|2.899246|2.615671|2.513845|2.642689|4.270626|2.135763|3.212448|0.061883|2.212379|2.179561|0.057874|0.054426|0.055279|0.065429|0.085093|0.096791|0.060459|0.065346|0.071442|0.139645|0.113010|0.123276|0.137999|0.304451|0.500000| |2.137400|2.562504|2.665977|3.218258|3.995119|3.681425|2.909435|2.608258|5.591124|12.944807|7.311527|4.248199|4.493927|0.115357|6.661358|6.668352|8.776540|17.663804|12.325582|0.224486|0.180571|6.804336|5.637901|3.487549|5.976072|3.915327|2.413132|2.238216|0.066398|2.144796|2.203673|2.051020|1.880857|1.843188|1.956050|3.113657|1.599038|2.626613|0.050401|1.902666|1.801731|0.057226|0.057008|0.055554|0.065805|0.087711|0.114690|0.066000|0.066391|0.078244|0.109653|0.097554|0.140492|0.238152|0.214909|0.173347|0.500000| |2.017115|2.370742|2.403989|2.795469|3.403097|3.316675|2.711670|2.519594|4.273283|8.924266|5.601225|3.681301|4.077698|0.114699|5.432668|4.615740|8.783083|17.629982|12.363709|0.221119|0.226808|5.568500|4.881351|3.178562|5.270432|3.727334|2.288124|2.161595|0.063505|2.143779|2.249152|2.149062|1.974594|1.901973|1.974636|3.317354|1.699479|2.523417|0.048836|1.787509|1.748085|0.055206|0.053630|0.052198|0.059675|0.074969|0.104914|0.063040|0.065695|0.076698|0.100587|0.085045|0.104063|0.139388|0.214493|0.215716|0.301651|0.500000| |1.795670|2.093483|2.251511|2.685284|3.020792|2.672144|2.241880|2.005491|3.948710|7.675097|6.118520|3.801766|4.419056|0.106853|6.734358|6.698176|5.729221|6.863831|12.438640|0.226389|0.181330|17.636812|8.749803|3.913616|7.458767|4.194469|2.661909|2.554123|0.079378|2.366507|2.463078|2.217335|1.970085|1.918400|2.076468|3.208835|1.620007|3.004258|0.056107|2.202689|2.093889|0.047841|0.047868|0.047996|0.057805|0.077766|0.077500|0.052003|0.052005|0.058075|0.091492|0.093767|0.175215|0.217232|0.127519|0.133221|0.202022|0.141667|0.500000| |1.598006|1.828080|1.947977|2.262130|2.488704|2.253874|1.941882|1.768004|3.067749|5.757665|4.724956|3.224387|3.973513|0.101730|5.463679|4.619370|4.921784|5.564775|12.375330|0.222184|0.225966|17.626173|8.765467|3.713892|7.045156|4.119080|2.645676|2.664363|0.084462|2.527376|2.741484|2.478230|2.143152|2.034991|2.179512|3.499405|1.736584|3.116189|0.057815|2.226421|2.233287|0.043095|0.042514|0.042914|0.050626|0.065280|0.065168|0.045858|0.046621|0.051116|0.079720|0.080949|0.125230|0.132048|0.107929|0.130206|0.140917|0.126569|0.301803|0.500000| |1.780223|2.056081|2.222102|2.612290|2.846479|2.520481|2.164107|1.935071|3.487758|6.098345|5.760256|4.404538|6.639018|0.175252|8.772345|5.440928|6.905666|5.682538|9.320919|0.143072|0.201577|8.877100|17.497861|6.028897|10.339183|6.309777|3.691609|3.683545|0.118109|3.552301|3.922086|3.412851|2.862515|2.708004|2.953285|4.515263|2.183965|3.963169|0.073107|2.711528|2.745387|0.048381|0.046448|0.047954|0.057686|0.076026|0.071476|0.049329|0.051700|0.055338|0.107088|0.107103|0.143125|0.132698|0.140776|0.206962|0.131112|0.128636|0.173021|0.215269|0.500000| |1.809929|2.100389|2.322819|2.778906|2.963088|2.539452|2.175832|1.914826|3.706574|6.388555|6.480877|4.678717|6.498574|0.146230|8.760745|6.866501|5.529862|4.848620|7.600639|0.127039|0.142475|9.002784|17.649555|6.769478|14.537320|6.406621|3.926348|3.803252|0.126105|3.357570|3.483971|2.935821|2.519138|2.468222|2.778002|3.946074|1.946366|4.200600|0.075812|3.029500|2.862895|0.048439|0.047369|0.049181|0.060805|0.083590|0.070734|0.049350|0.050599|0.054187|0.106394|0.119309|0.212575|0.161224|0.122713|0.141534|0.126369|0.107415|0.214212|0.213136|0.303669|0.500000| |2.187713|2.507225|2.836335|3.251298|3.172947|2.727638|2.467356|2.132681|3.373546|5.185723|5.679688|5.960311|7.452837|0.233345|4.717351|3.946793|3.992453|3.050216|3.912671|0.069367|0.080609|3.098861|4.097595|9.309208|10.871447|26.074371|9.035863|6.246753|0.153799|6.042150|4.977182|4.138690|3.950435|4.426920|5.531011|5.713962|2.863902|5.875900|0.116234|3.789223|3.436661|0.060079|0.054756|0.060706|0.076364|0.097885|0.071718|0.053790|0.058844|0.058143|0.158223|0.171534|0.109103|0.090135|0.108891|0.116375|0.078575|0.077003|0.079700|0.078486|0.119697|0.113301|0.500000| |1.972644|2.186858|2.499065|2.754697|2.561726|2.226195|2.083331|1.820214|2.640589|4.125403|4.302681|4.016687|4.322192|0.118615|3.276612|3.034999|2.783682|2.308555|3.053351|0.055912|0.062310|2.466421|3.069011|5.837520|9.103463|12.588235|17.596957|8.751930|0.173978|6.774950|4.656142|3.761235|3.734726|4.595984|6.648423|5.327009|2.749618|9.173037|0.195712|5.858591|4.486299|0.053746|0.049738|0.056210|0.070371|0.085114|0.057965|0.046966|0.050319|0.048994|0.104855|0.128350|0.089080|0.072004|0.075984|0.078640|0.061372|0.058856|0.065342|0.064586|0.087249|0.090317|0.230158|0.500000| |1.948521|2.192309|2.544155|2.895248|2.697267|2.286723|2.099569|1.816890|2.879410|4.494439|4.891800|4.422103|4.816395|0.119984|3.740162|3.590139|2.977306|2.490679|3.343324|0.061095|0.066950|2.817067|3.576247|7.487288|13.808320|12.695835|17.681529|8.773457|0.215330|5.477093|4.224650|3.314874|3.092345|3.491434|4.627702|4.535129|2.308654|9.415595|0.167023|7.450979|4.644391|0.052208|0.049617|0.055367|0.071274|0.092430|0.059648|0.047158|0.049392|0.049129|0.106753|0.146721|0.111917|0.083559|0.079598|0.081519|0.067162|0.062039|0.075747|0.073534|0.097823|0.111492|0.184527|0.302120|0.500000| |1.493618|1.652143|1.789615|1.987915|2.011234|1.820304|1.664276|1.512653|2.208782|3.708289|3.500681|2.930132|3.736757|0.108099|3.365686|2.789722|2.959377|2.563251|3.741469|0.067884|0.081255|3.075437|3.817932|4.549702|7.875549|6.709787|4.899570|7.006058|0.225948|8.876723|17.695307|9.003749|5.646828|4.952527|5.659002|7.653434|3.331404|6.971488|0.124598|3.891640|5.359466|0.041108|0.038749|0.041274|0.048467|0.058577|0.049946|0.039101|0.041551|0.042180|0.075798|0.080667|0.080037|0.069048|0.074091|0.089868|0.064877|0.065711|0.075596|0.086769|0.125698|0.111290|0.126879|0.115912|0.115581|0.500000| |1.384222|1.508922|1.597606|1.735279|1.770578|1.650493|1.531064|1.420827|1.901401|3.233290|2.889770|2.391195|2.901657|0.088351|2.666048|2.234236|2.549716|2.257131|3.243089|0.059921|0.072241|2.488289|2.889029|3.160069|5.249384|4.713402|3.344955|4.088498|0.113855|5.614887|8.907953|17.746400|8.948737|5.654574|4.971625|13.547547|4.870478|4.676568|0.092445|2.745991|3.630875|0.038637|0.035993|0.038065|0.043175|0.049918|0.045701|0.036684|0.039513|0.039803|0.064746|0.064683|0.061940|0.056794|0.065367|0.079747|0.056626|0.060195|0.061423|0.070238|0.094427|0.079272|0.098232|0.087422|0.080181|0.215831|0.500000| |1.532288|1.634743|1.743235|1.833691|1.793604|1.673830|1.604492|1.481006|1.826589|3.006766|2.746518|2.365553|2.619841|0.079653|2.231115|1.983398|2.122326|1.839438|2.479174|0.046256|0.052838|1.888119|2.196542|2.888119|4.632814|4.833097|3.741191|4.086586|0.096160|5.630881|4.958711|5.625197|8.857563|17.772666|8.959031|12.492925|7.378338|5.073139|0.116770|2.953511|3.457067|0.043217|0.039225|0.042944|0.048295|0.052859|0.045052|0.038272|0.041967|0.040501|0.066504|0.067040|0.055217|0.049867|0.057801|0.063679|0.047658|0.049237|0.048787|0.051168|0.066353|0.061076|0.107974|0.114696|0.086617|0.107593|0.124056|0.500000| |1.685717|1.822194|2.001477|2.138603|2.044558|1.852252|1.760741|1.587203|2.092378|3.375268|3.249902|2.879789|3.181268|0.093236|2.591768|2.337314|2.341523|1.993759|2.680068|0.049607|0.056062|2.106331|2.526702|3.818485|6.119851|7.036193|6.414032|6.890799|0.139195|8.854823|5.643243|4.965903|5.666540|9.023264|17.667940|7.500528|3.915506|8.393038|0.214591|4.502581|4.786681|0.046807|0.042888|0.047737|0.056052|0.063410|0.049122|0.041067|0.044486|0.043051|0.078662|0.085194|0.066714|0.057466|0.063592|0.068530|0.052245|0.052136|0.054947|0.056515|0.074791|0.072397|0.150173|0.222720|0.136441|0.123695|0.107790|0.220001|0.500000| |1.285325|1.359081|1.408426|1.471727|1.480599|1.421863|1.365188|1.296235|1.518515|2.575408|2.215273|1.823826|2.024954|0.061836|1.841824|1.628836|1.837497|1.654878|2.264887|0.042946|0.049304|1.670632|1.858193|2.101679|3.451807|3.200218|2.325850|2.537490|0.065971|3.174029|3.421389|4.429321|5.898099|4.888563|3.613595|16.968311|17.683247|3.198459|0.068424|1.988989|2.372772|0.036564|0.033404|0.035508|0.038489|0.041526|0.039139|0.033613|0.036851|0.036010|0.051622|0.049949|0.044586|0.042127|0.049717|0.056097|0.042482|0.045503|0.042835|0.046108|0.056864|0.050488|0.070003|0.066423|0.057208|0.082471|0.122001|0.144751|0.089139|0.500000| |1.442636|1.528945|1.592688|1.662056|1.659403|1.585517|1.525666|1.436808|1.687234|2.824151|2.474730|2.082968|2.301071|0.071280|2.030706|1.791310|2.016269|1.776692|2.391104|0.044935|0.051703|1.768044|2.003261|2.393036|3.844184|3.763346|2.720482|2.892945|0.073072|3.700786|3.771817|4.732522|6.992677|6.664002|4.544000|16.406881|17.586453|3.568326|0.077678|2.199140|2.539619|0.041164|0.037155|0.039962|0.043611|0.046940|0.043283|0.037048|0.041032|0.039667|0.059612|0.057328|0.048914|0.045815|0.055131|0.061578|0.045622|0.048603|0.045419|0.048114|0.061061|0.054357|0.084733|0.079701|0.065556|0.087798|0.119443|0.221863|0.112953|0.299945|0.500000| |1.312564|1.386458|1.452674|1.517064|1.505254|1.430199|1.376338|1.294635|1.538248|2.583741|2.267527|1.885534|2.081839|0.062838|1.860193|1.660685|1.813310|1.619832|2.213749|0.041872|0.047657|1.661736|1.871378|2.223299|3.665619|3.474216|2.620784|2.907801|0.073375|3.723764|3.800183|4.770667|7.039493|6.679524|4.560875|16.411203|17.589606|3.757514|0.082825|2.283693|2.779697|0.037168|0.033998|0.036563|0.040054|0.043227|0.038996|0.033657|0.036735|0.035697|0.053006|0.052530|0.045985|0.042617|0.049126|0.054655|0.041914|0.044005|0.042881|0.045751|0.056778|0.051639|0.075517|0.076391|0.063830|0.088445|0.120415|0.220107|0.113038|0.299954|0.298032|0.500000| |1.572853|1.730449|1.953863|2.168270|2.062084|1.803596|1.673216|1.485563|2.214368|3.612312|3.585748|2.927749|3.216453|0.082098|2.852988|2.777151|2.349564|2.085334|2.923132|0.054718|0.058828|2.500702|2.985855|4.317887|9.077240|6.176629|6.202079|6.999985|0.206881|4.585902|3.843047|3.031536|2.759920|2.996110|3.782435|4.125030|2.093051|12.295904|0.181337|17.643872|6.829422|0.042186|0.040859|0.044668|0.054912|0.067455|0.047905|0.039139|0.040320|0.040488|0.072498|0.090220|0.087559|0.068296|0.061657|0.064676|0.056591|0.052450|0.067740|0.068402|0.082398|0.096034|0.104135|0.143414|0.210934|0.111087|0.075372|0.074503|0.107208|0.052589|0.057526|0.059090|0.500000| |1.457372|1.574804|1.760004|1.904313|1.798854|1.601599|1.511914|1.357196|1.886065|3.092495|2.962555|2.413582|2.581526|0.068064|2.298038|2.237254|1.971191|1.768374|2.461064|0.046574|0.049939|2.043127|2.368276|3.247998|6.308693|4.859376|4.798866|5.501934|0.143097|4.142214|3.428885|2.832694|2.684489|2.985061|3.714900|4.053370|2.101440|12.314285|0.217868|17.657684|7.486283|0.039318|0.037917|0.041666|0.050013|0.058413|0.042500|0.035930|0.037130|0.036845|0.061751|0.073836|0.068454|0.056054|0.052475|0.054798|0.047977|0.045262|0.055345|0.056189|0.066260|0.073294|0.087286|0.126678|0.146464|0.094564|0.070176|0.076057|0.109409|0.052666|0.057406|0.060737|0.299377|0.500000| 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