Version2.0 2020-02-03T13:49:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)c1ccc(cc1)[C@@H]2N(CCCN2S(=O)(=O)c3ccc(cc3)C)C(=O)C[NH+]4CCCCC4 C59074328 RHF 6-31G(d) (6D,7F) CC[NH+](CC)c1ccc(cc1)[C@@H]2N(CCCN2S(=O)(=O)c3ccc(cc3)C)C(=O)C[NH+]4CCCCC4 C01[X(C28H42N4O3S1)] 228 C1 628 CC[NH+](c1ccc(cc1)[C@@H]1N(CCCN1S(=O)(=O)c1ccc(cc1)C)C(=O)C[NH+]1CCCCC1)CC CC[NH+](c1ccc(cc1)[C@@H]1N(CCCN1S(=O)(=O)c1ccc(cc1)C)C(=O)C[NH+]1CCCCC1)CC CC[NH+](CC)c1ccc(cc1)[C@@H]2N(CCCN2[S](=O)(=O)c3ccc(C)cc3)C(=O)C[NH+]4CCCCC4 InChIKey=ZERRSKLNMNIHMR-MUUNZHRXSA-P InChI=1S/C28H40N4O3S/c1-4-30(5-2)25-14-12-24(13-15-25)28-31(27(33)22-29-18-7-6-8-19-29)20-9-21-32(28)36(34,35)26-16-10-23(3)11-17-26/h10-17,28H,4-9,18-22H2,1-3H3/p+2/t28-/m1/s1 InChI=1/C28H40N4O3S/c1-4-30(5-2)25-14-12-24(13-15-25)28-31(27(33)22-29-18-7-6-8-19-29)20-9-21-32(28)36(34,35)26-16-10-23(3)11-17-26/h10-17,28H,4-9,18-22H2,1-3H3/p+2/t28-/m1/s1/fC28H42N4O3S/h29-30H/q+2 CC[NH+](CC)c1ccc(cc1)[C@@H]2N(CCCN2S(=O)(=O)c3ccc(cc3)C)C(=O)C[NH+]4CCCCC4 C01[X(C28H42N4O3S1)] 228 C01 628 CC[NH+](c1ccc(cc1)[C@@H]1N(CCCN1S(=O)(=O)c1ccc(cc1)C)C(=O)C[NH+]1CCCCC1)CC CC[NH](c1ccc(cc1)[C@@H]1N(CCCN1[S@@](=O)(c1ccc(cc1)C)O)C(=O)C[NH]1CCCCC1)CC CC[NH](CC)c1ccc(cc1)[C@@H]2N(CCCN2[S](O)(=O)c3ccc(C)cc3)C(=O)C[NH]4CCCCC4 InChIKey=BHXVJCQVVQKVED-QUGAMOGWSA-N InChI=1S/C26H26FN5O2S2/c1-17(24(33)29-18-9-8-12-20(15-18)35-2)36-26-31-30-23(32(26)19-10-4-3-5-11-19)16-28-25(34)21-13-6-7-14-22(21)27/h3-15,17,26,31H,16H2,1-2H3,(H,28,34)(H,29,33)/t17-,26+/m1/s1 InChI=1/C26H26FN5O2S2/c1-17(24(33)29-18-9-8-12-20(15-18)35-2)36-26-31-30-23(32(26)19-10-4-3-5-11-19)16-28-25(34)21-13-6-7-14-22(21)27/h3-15,17,26,31H,16H2,1-2H3,(H,28,34)(H,29,33)/t17-,26+/m1/s1/f/h28-29H 4429.6795534693 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15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 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 15826.5303 25025.1732 36089.8715 0.99982 0.01821 -0.00496 -0.01816 0.99980 0.00867 0.00511 -0.00858 0.99995 1 0.00547 0.00346 0.00240 0.11403 0.07212 0.05001 10.69 22.45 31.91 39.86 42.66 46.59 51.61 73.98 79.73 88.98 100.06 122.47 144.52 157.56 166.96 171.71 202.55 216.95 236.31 254.02 261.32 279.10 322.45 334.95 360.63 366.93 378.73 405.32 411.17 423.25 442.58 451.65 476.79 499.57 511.91 521.95 556.40 571.86 589.32 600.66 639.88 655.31 677.85 688.92 694.52 700.94 709.34 724.01 737.74 759.53 797.05 825.97 834.16 863.88 904.74 907.03 915.67 949.17 964.00 985.34 1000.01 1002.20 1048.59 1124.19 1151.21 1168.17 1199.19 1220.64 1237.47 1246.42 1265.65 1279.41 1299.90 1312.10 1319.43 1324.13 1333.96 1352.31 1371.56 1376.39 1379.94 1381.79 1409.91 1415.85 1429.82 1490.49 1510.41 1524.05 1530.68 1551.07 1559.34 1568.27 1576.84 1581.72 1583.05 1593.30 1599.18 1602.77 1606.11 1612.93 1627.42 1648.57 1664.54 1677.98 1684.44 1687.65 1717.37 1728.54 1731.77 1742.46 1754.30 1777.08 1787.09 1798.35 1807.23 1826.07 1830.53 1842.80 1854.37 1873.26 1888.21 1899.53 1901.93 1910.47 1917.92 1918.43 1922.53 1945.91 1978.22 1993.93 2021.90 2037.97 2047.90 2057.76 2068.42 2097.03 2100.07 2118.48 2128.66 2133.99 2135.43 2149.38 2160.79 2174.20 2208.65 2210.39 2214.57 2218.70 2221.29 2236.81 2240.96 2244.40 2245.70 2251.22 2256.15 2258.82 2267.60 2284.38 2292.96 2321.44 2333.91 2340.68 2342.90 2344.84 2347.08 2348.54 2350.28 2350.84 2351.94 2353.44 2358.55 2361.40 2365.50 2366.10 2382.22 2385.36 2386.24 2389.06 2409.10 2432.35 2434.44 2536.22 2588.41 2590.25 2611.96 2775.11 4605.14 4621.31 4626.51 4626.88 4631.98 4637.76 4639.27 4639.42 4674.16 4693.82 4700.53 4704.35 4716.61 4718.91 4721.03 4723.01 4724.94 4726.47 4734.56 4735.14 4740.81 4742.91 4750.00 4773.65 4779.37 4783.31 4791.45 4809.95 4818.39 4827.36 4828.43 4832.80 4841.46 4849.75 4866.45 4871.83 4879.91 4893.73 4915.91 5043.02 5243.65 5316.41 0.737056 0.770336 0.771280 0.667048 -1923.389847 -1923.356567 -1923.355623 -1923.459855 3.495958D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE CC[NH+](CC)c1ccc(cc1)[C@@H]2N(CCCN2S(=O)(=O)c3ccc(cc3)C)C(=O)C[NH+]4CCCCC4 C59074328 RHF 6-31G(d) (6D,10F) C1 514.297763 |X|Y|Z| 112.921251 87.540558 39.011681 72.788017 27 6 7 16 23 3 1 |36.858105| |12.541473|36.858105| |7.549745|12.567949|53.358707| |7.216979|9.345863|25.713622|0.500000| |4.938211|7.607422|17.060439|0.259542|36.858105| |3.786969|4.931328|10.250959|0.198548|12.542535|36.858105| |6.270641|7.610793|17.584450|0.263797|7.613315|6.331667|36.858105| |5.291081|5.419281|10.563251|0.217337|5.408884|5.299002|13.875953|36.858105| |4.083946|4.056747|6.953675|0.138460|4.078350|4.157989|8.006950|13.681744|36.858105| |3.668707|3.747992|6.096515|0.114168|3.789367|3.784463|6.854346|7.856463|13.762476|36.858105| |3.986770|4.328335|6.933989|0.120427|4.383972|4.125368|7.973435|6.866549|7.986628|13.638263|36.858105| |5.076677|6.114072|10.464216|0.161724|6.179650|5.222682|13.733614|7.930521|6.910894|7.893858|13.829211|36.858105| |2.891137|2.890868|4.486014|0.086566|2.926396|2.987972|4.422600|5.034859|7.708004|12.427332|7.290787|4.934488|36.858105| |2.767782|2.732699|4.283896|0.085137|2.791806|2.915194|4.121498|5.018044|7.906685|9.178120|5.610583|4.255871|17.611816|0.500000| |2.768427|2.671516|3.936739|0.076288|2.540773|2.515195|3.707848|4.097921|5.611296|7.498773|5.623715|4.118078|12.839182|0.262496|53.358707| |2.334874|2.244052|3.290284|0.065057|2.166759|2.181913|2.962832|3.310460|4.316971|5.044498|3.986437|3.161718|7.852979|0.218722|17.632860|36.858105| |2.062138|2.032677|2.996037|0.058915|2.034302|2.077979|2.653206|2.881659|3.632754|4.325841|3.618689|2.881854|6.596912|0.176652|10.709472|12.515447|36.858105| |2.114022|2.133820|3.230733|0.063309|2.231138|2.334125|2.896611|3.150993|4.036842|4.929556|4.051436|3.166548|7.840073|0.210227|9.228190|7.612437|12.490371|36.858105| |2.450517|2.515427|3.875893|0.074412|2.661692|2.770068|3.626177|3.879837|5.163395|7.269906|5.821991|4.154549|12.917679|0.255949|10.981560|6.623429|7.615239|12.832976|53.358707| |2.322848|2.476606|3.897684|0.074227|2.820071|3.040187|3.549703|3.635401|4.440649|5.750349|5.348335|4.102192|6.763796|0.161068|6.532735|4.190441|4.794902|7.265863|15.396516|388.023441| |2.653512|2.928908|4.729701|0.087367|3.489533|3.754783|4.420390|4.255326|4.960352|6.620019|7.171456|5.454679|6.178357|0.142838|6.012982|3.627339|3.813172|4.994749|10.330375|94.940608|73.516695| |2.024459|2.147382|3.276886|0.062570|2.400581|2.546931|2.864674|2.879250|3.373336|4.177125|4.088195|3.298210|4.931093|0.120527|5.517759|3.753666|4.616431|6.597860|10.551416|95.089561|13.666718|73.516695| |2.151676|2.283956|3.658961|0.071925|2.681885|3.038183|3.230365|3.467460|4.152990|4.660546|4.086098|3.435458|5.272825|0.149122|5.265875|3.656672|4.097667|6.062005|9.334045|76.787399|13.033532|13.081645|36.858105| |2.324182|2.480047|4.106334|0.082211|3.012508|3.567068|3.630395|4.046175|4.767208|4.871039|4.155522|3.656307|4.990355|0.149654|4.937467|3.374989|3.515414|4.731585|7.408999|49.473290|11.248214|8.782189|13.705242|36.858105| |2.099453|2.221166|3.633282|0.074514|2.690532|3.224088|3.067069|3.439537|3.857766|3.728882|3.247690|2.987303|3.819735|0.117692|4.073097|2.897758|3.005568|3.825930|5.488810|33.703634|7.770192|6.813123|7.964023|13.807030|36.858105| |1.825948|1.916605|3.047165|0.062293|2.264676|2.640209|2.523285|2.769073|3.087973|3.067678|2.727846|2.501709|3.269192|0.099493|3.647749|2.686672|2.883020|3.639892|4.885360|29.790617|6.538324|6.556617|6.844680|7.885453|13.655702|36.858105| |1.741649|1.825304|2.856720|0.057559|2.118890|2.409188|2.382732|2.566427|2.907402|3.021323|2.716004|2.434231|3.353162|0.099528|3.780874|2.825161|3.181995|4.158663|5.349625|33.732645|6.872515|7.905900|7.963760|6.875743|7.958635|13.702699|36.858105| |1.861771|1.958823|3.065977|0.060805|2.262523|2.538167|2.616117|2.786772|3.238176|3.537183|3.180844|2.754415|4.063250|0.116680|4.442483|3.264300|3.814419|5.425085|7.085504|49.643226|8.934362|11.655274|13.734452|7.902788|6.872989|7.884513|13.765325|36.858105| |1.658915|1.731483|2.720509|0.056292|2.029966|2.358132|2.192357|2.397160|2.595648|2.523830|2.278282|2.140717|2.644070|0.080274|3.067002|2.283572|2.412534|2.887176|3.829796|22.369669|5.098200|5.107478|4.438633|5.016334|7.548209|12.624791|7.554163|5.013263|36.858105| |2.822264|2.717576|3.862817|0.073473|2.496097|2.400122|3.569507|3.698187|4.634046|6.182589|5.588461|4.151038|7.685856|0.161883|19.247887|7.792970|5.992053|5.127443|8.364167|29.853855|7.251996|6.668267|3.277252|3.057395|2.558265|2.318937|2.414941|2.821877|1.981386|36.858105| |3.092139|3.038407|4.264343|0.078969|2.755362|2.588117|3.977648|3.878016|4.638391|6.448399|6.891963|4.967458|6.640918|0.137958|11.417489|5.342153|4.614777|4.366007|7.623509|30.099340|7.873793|6.701689|3.200141|3.005835|2.494038|2.241710|2.323867|2.721001|1.916831|15.847838|73.516695| |2.464476|2.332475|3.225734|0.062199|2.107873|2.021197|2.834890|2.926655|3.470174|4.157800|3.890159|3.175828|4.927026|0.118006|10.478539|6.679898|5.323480|4.151718|5.953508|23.124150|5.529058|5.477890|2.675439|2.498793|2.167589|2.013963|2.105873|2.406669|1.759239|12.366096|14.499506|36.858105| |2.406532|2.295516|3.094863|0.059011|2.044705|1.928357|2.654741|2.635456|2.983362|3.543018|3.581388|3.031106|3.875174|0.092887|7.005624|4.449676|3.970629|3.351112|4.916638|20.631465|5.091557|5.016812|2.372527|2.218056|1.936526|1.807560|1.890977|2.151255|1.592669|7.767748|13.201410|12.816553|53.358707| |2.695073|2.574423|3.431783|0.064603|2.246797|2.086133|2.964774|2.878977|3.218902|3.877666|4.089229|3.465637|4.024222|0.094605|7.002443|4.146348|3.669510|3.250812|4.989959|21.289261|5.430943|5.080416|2.420024|2.284822|1.979389|1.826936|1.896969|2.161090|1.605668|8.050030|16.648683|9.497780|25.617956|0.500000| |2.124567|2.082884|2.836542|0.053921|1.925412|1.835419|2.406425|2.361596|2.656285|3.182584|3.283625|2.779713|3.536492|0.084619|5.955467|3.953114|3.917071|3.368783|4.864647|21.112791|5.124636|5.388791|2.383438|2.174536|1.897730|1.795674|1.910872|2.195919|1.578662|5.980508|10.709243|7.670680|17.158876|0.259939|36.858105| |2.033926|2.008229|2.683112|0.050784|1.841855|1.735499|2.220247|2.132518|2.322832|2.720368|2.904478|2.564137|2.875069|0.069966|4.549850|3.022620|3.002472|2.712274|3.954728|18.200991|4.546368|4.677035|2.090098|1.928262|1.700483|1.612689|1.706394|1.937989|1.432724|4.292322|8.271610|4.983007|10.396266|0.199653|12.508863|36.858105| |1.928410|1.870782|2.464896|0.047111|1.682362|1.579575|2.006471|1.942616|2.090009|2.372427|2.489366|2.256513|2.482573|0.061980|3.945109|2.694199|2.611819|2.333457|3.333793|15.383367|3.843691|3.904662|1.826144|1.710788|1.531466|1.456634|1.527806|1.706482|1.309961|3.597406|6.671134|4.382175|8.833302|0.164305|7.554554|12.459364|36.858105| |2.132317|2.019868|2.629545|0.050421|1.760105|1.638152|2.145472|2.089983|2.243634|2.516669|2.614850|2.385942|2.599954|0.065238|4.229243|2.851692|2.639408|2.335340|3.359628|15.219759|3.833707|3.761483|1.824533|1.734794|1.554357|1.465550|1.520321|1.688353|1.320166|3.915695|7.184148|4.971924|10.406193|0.197363|6.507128|7.583861|12.456747|36.858105| |2.239356|2.098212|2.776947|0.053546|1.834982|1.723631|2.315422|2.307211|2.543283|2.874353|2.887315|2.561299|3.064032|0.076734|5.294880|3.595957|3.202214|2.720698|3.873561|16.835586|4.170093|4.111017|2.013166|1.910342|1.702790|1.600674|1.661659|1.853430|1.433153|5.082402|8.639376|7.637058|17.216551|0.255690|7.638633|6.495630|7.534038|12.497558|36.858105| |17.556491|8.788447|9.316532|0.213197|4.618523|3.729146|5.609899|5.244684|3.983552|3.423273|3.544057|4.335653|2.748243|0.074922|3.563158|2.253324|1.986136|2.038099|3.168415|15.700676|4.417120|3.417189|2.095916|2.295560|2.107241|1.829359|1.726087|1.823143|1.677411|2.605273|4.938453|2.296425|3.005905|0.067507|1.956570|1.860999|1.775276|1.958115|2.071844|0.500000| |17.611421|8.771101|9.153416|0.173542|4.456468|3.579933|6.841762|5.978530|4.760697|4.300113|4.632942|5.728280|3.321614|0.087345|4.397402|2.659044|2.299802|2.334721|3.719443|17.912312|5.092421|3.872749|2.295443|2.460008|2.191876|1.902888|1.826768|1.971624|1.712304|3.321415|6.504470|2.854811|3.756184|0.086884|2.380877|2.247640|2.122475|2.379221|2.541260|0.300056|0.500000| |17.587673|8.967496|7.534870|0.146580|4.128896|3.223130|4.729059|4.087879|3.365949|3.131158|3.419231|4.180036|2.560892|0.067907|3.413522|2.144193|1.906605|1.933132|3.010355|14.924324|4.215077|3.311362|1.938055|2.064807|1.879655|1.658161|1.592904|1.699437|1.517108|2.604257|5.078474|2.335079|3.167743|0.072417|2.057246|2.002253|1.923921|2.138788|2.207702|0.302726|0.301765|0.500000| |8.839773|17.633688|12.415025|0.223856|7.373287|4.783960|5.621828|4.373795|3.387581|3.133626|3.536526|4.700226|2.506377|0.066588|3.164460|1.996241|1.829738|1.921690|3.033234|15.832299|4.628300|3.478992|2.088219|2.270674|2.070537|1.801561|1.709503|1.815001|1.647659|2.355712|4.621184|2.061196|2.775837|0.062804|1.873186|1.823363|1.711632|1.834915|1.887611|0.210470|0.172699|0.215721|0.500000| |8.783750|17.653845|12.356467|0.182197|6.905897|4.549465|6.999171|4.833980|3.864070|3.795223|4.658941|6.764162|2.935617|0.075310|3.719773|2.269529|2.073293|2.174273|3.525496|18.227493|5.467782|3.984214|2.301183|2.448823|2.166533|1.883605|1.817734|1.973028|1.690613|2.851535|5.836614|2.438018|3.331079|0.077380|2.234332|2.179132|2.011673|2.161362|2.217997|0.172264|0.210333|0.211572|0.302053|0.500000| |4.798853|7.319455|12.418221|0.226152|17.632371|8.833262|5.625429|4.384578|3.405885|3.155273|3.555970|4.709720|2.527254|0.067632|3.058005|1.948033|1.830849|1.983513|3.151387|17.297996|5.187584|3.762096|2.340395|2.606692|2.387748|2.045724|1.913356|2.017842|1.867317|2.220814|4.320873|1.916289|2.549635|0.056906|1.765405|1.705608|1.575769|1.650635|1.706642|0.127979|0.114447|0.115748|0.238376|0.176998|0.500000| |4.556825|6.969137|12.333784|0.182125|17.656466|8.791255|6.936277|4.790662|3.854206|3.808529|4.687137|6.780833|2.954149|0.076472|3.507517|2.177809|2.065255|2.267538|3.725174|20.904681|6.636986|4.491683|2.703440|2.951130|2.592132|2.208641|2.104342|2.280262|1.964023|2.581685|5.179256|2.172068|2.909795|0.065801|2.033117|1.962297|1.775010|1.842626|1.903614|0.112959|0.117745|0.109768|0.181467|0.207777|0.301931|0.500000| |3.568109|4.456066|9.090282|0.170280|8.771216|17.616578|6.880134|5.906705|4.838845|4.486037|4.877901|5.974614|3.471316|0.093491|3.833983|2.418535|2.319393|2.665200|4.410170|26.031184|8.364818|5.270870|3.663615|4.407024|3.811684|3.026202|2.758728|2.955284|2.622395|2.649655|5.078989|2.187404|2.811332|0.062000|1.974283|1.845383|1.661040|1.715118|1.819704|0.096334|0.097709|0.084266|0.114335|0.118397|0.172665|0.211276|0.500000| |3.732924|4.598453|9.327088|0.211682|8.787033|17.554283|5.715077|5.329602|4.103852|3.552842|3.671112|4.459808|2.855863|0.079410|3.296096|2.131778|2.013558|2.246606|3.556916|19.952066|5.913777|4.192763|2.894152|3.472637|3.252879|2.650526|2.370316|2.446979|2.409765|2.280928|4.291827|1.939920|2.496657|0.054709|1.733895|1.632664|1.499831|1.564245|1.654529|0.106929|0.097188|0.087802|0.126323|0.112556|0.209695|0.172333|0.299569|0.500000| |3.227267|4.128334|7.527915|0.146166|8.979281|17.588030|4.748451|4.085136|3.410195|3.211512|3.514208|4.262315|2.639238|0.071421|3.064966|1.981889|1.916492|2.152754|3.426964|20.051987|6.117608|4.306117|2.839162|3.270848|3.020675|2.531136|2.320580|2.424297|2.290642|2.166323|4.148108|1.850385|2.425374|0.053287|1.717386|1.638844|1.493092|1.535045|1.601065|0.088052|0.084421|0.078951|0.115924|0.109355|0.216475|0.211327|0.302196|0.302584|0.500000| |5.200596|5.103954|9.675354|0.237311|5.063977|5.113586|8.889388|17.708266|8.905059|5.619255|4.948141|5.626840|4.132378|0.119734|4.768416|2.972691|2.596300|2.805899|4.492607|22.209271|6.272355|4.512517|3.113643|3.693258|3.306844|2.676086|2.433649|2.571924|2.373848|3.158197|5.754398|2.603216|3.200517|0.070412|2.112322|1.922420|1.777254|1.915806|2.105805|0.156889|0.154164|0.111751|0.120128|0.120224|0.120247|0.118893|0.148520|0.156129|0.110312|0.500000| |3.553478|3.430511|5.671431|0.118160|3.446018|3.605714|5.701597|8.988660|17.726706|8.902670|5.654094|4.972763|7.232642|0.249721|7.487019|4.583520|3.765444|4.137596|6.688800|29.254422|7.579994|5.671167|4.110785|4.800089|4.049010|3.246905|3.011855|3.281128|2.747396|4.299812|7.213918|3.352939|3.834493|0.082333|2.508135|2.177982|1.983308|2.131698|2.441069|0.099647|0.112847|0.083246|0.082178|0.089821|0.082653|0.089623|0.113967|0.102371|0.084214|0.218119|0.500000| |3.439676|3.733620|5.658000|0.099266|3.791555|3.573993|5.691170|4.962297|5.673451|8.891371|17.887957|9.039937|6.665971|0.138209|7.524416|3.950462|3.741626|4.174249|8.301701|40.633317|13.702369|8.130851|4.008940|3.838024|3.016117|2.607103|2.666933|3.183837|2.177065|5.969979|14.394345|4.128430|5.354639|0.126411|3.741063|3.306088|2.735530|2.810325|3.070587|0.084757|0.108914|0.085094|0.087243|0.115097|0.087824|0.116441|0.115437|0.087906|0.088053|0.107672|0.124126|0.500000| |4.852781|6.289370|9.572900|0.144348|6.387973|5.010954|8.849353|5.635073|4.973746|5.641224|9.000269|17.739918|4.031301|0.097280|4.793566|2.783513|2.594733|2.824385|4.914803|26.228366|8.706495|5.512789|3.074234|3.200515|2.669420|2.283444|2.242394|2.527979|1.976470|3.686488|8.005318|2.929764|3.952977|0.092976|2.716618|2.581685|2.266192|2.370773|2.478521|0.112135|0.144468|0.116190|0.137472|0.219810|0.137639|0.223498|0.151609|0.115108|0.119147|0.123528|0.107894|0.219774|0.500000| |2.239829|2.121403|3.044348|0.060358|1.999787|1.989014|2.683016|2.955695|3.685825|4.160583|3.467870|2.845673|5.652295|0.155533|12.264951|17.660828|8.734378|5.502871|6.694791|24.403658|5.452225|5.657524|3.032758|2.836244|2.497563|2.343791|2.452877|2.773231|2.038626|7.219649|8.818590|7.823304|6.646559|0.120684|4.170882|3.146697|2.879806|3.105565|4.078137|0.060059|0.070887|0.057891|0.052671|0.059663|0.050496|0.055866|0.060333|0.054142|0.050450|0.074902|0.107893|0.096236|0.070800|0.500000| |2.342273|2.237504|3.321249|0.066731|2.176974|2.220085|2.981978|3.455874|4.576954|4.946263|3.764483|3.068672|7.336665|0.249558|12.506934|17.609140|8.806773|6.816292|7.995340|28.155051|6.135472|6.145394|3.716271|3.557231|3.113537|2.866669|2.949752|3.320258|2.446126|5.823614|7.823877|5.049517|4.956536|0.096573|3.243365|2.594199|2.359595|2.512457|3.090343|0.063821|0.073721|0.059304|0.055490|0.061866|0.054470|0.059891|0.068292|0.061112|0.055752|0.087964|0.144707|0.099748|0.074242|0.306959|0.500000| |2.006377|1.985394|2.885270|0.056204|1.971036|1.989230|2.532319|2.673315|3.275821|3.974677|3.522055|2.810181|5.634502|0.140297|9.522410|8.859228|17.538399|8.878223|9.145715|32.255939|6.568162|8.279831|3.673930|3.130012|2.680454|2.585069|2.870368|3.451321|2.186714|6.331550|8.782170|5.995297|6.215495|0.113799|4.783100|3.501723|2.963462|2.923229|3.559425|0.053156|0.062088|0.052010|0.049704|0.056934|0.049423|0.056233|0.061341|0.053070|0.051304|0.066629|0.091366|0.105123|0.071643|0.211993|0.173277|0.500000| |1.873890|1.841151|2.703416|0.053678|1.848177|1.898871|2.345853|2.556672|3.141862|3.558220|3.025424|2.497625|4.981265|0.142684|7.687635|8.822536|17.567593|8.913617|7.586332|28.553751|5.750693|7.083211|3.700642|3.212973|2.855204|2.818831|3.131479|3.630718|2.402862|4.575538|6.547941|4.395134|4.646298|0.086955|3.396401|2.681875|2.391817|2.408636|2.889305|0.050595|0.057474|0.048403|0.046497|0.051833|0.046639|0.051814|0.058365|0.051550|0.048993|0.065353|0.092318|0.085898|0.063075|0.207407|0.212921|0.302229|0.500000| |1.934437|1.972939|2.969065|0.058013|2.091599|2.195614|2.605511|2.764712|3.391085|4.070636|3.572757|2.868124|5.686595|0.149680|6.940193|5.561352|8.915219|17.695273|12.423181|51.411100|8.495877|14.344942|6.006022|4.405956|3.643644|3.619130|4.369753|5.945569|2.875496|4.290898|6.809894|3.649528|4.206675|0.082968|3.244034|2.658010|2.270763|2.222612|2.536748|0.051722|0.058654|0.049544|0.049825|0.056176|0.051952|0.059518|0.069376|0.058377|0.057098|0.069014|0.094956|0.105069|0.072806|0.123734|0.139188|0.221136|0.211055|0.500000| |2.078416|2.091582|3.203445|0.063716|2.212901|2.355391|2.853179|3.193864|4.110555|4.679268|3.730843|3.011738|7.005879|0.224280|7.848006|6.732088|8.878905|17.512579|12.275123|45.250774|8.107397|9.746596|6.611451|5.352795|4.441757|4.253161|4.812451|6.059220|3.311073|4.297417|6.601499|3.573421|3.962539|0.078955|2.865814|2.368638|2.085389|2.109568|2.441488|0.056411|0.063347|0.052542|0.052601|0.058379|0.054796|0.061548|0.074739|0.063905|0.060217|0.080528|0.122789|0.102428|0.074016|0.138531|0.196481|0.174547|0.220933|0.301641|0.500000| |2.665679|2.879488|4.945164|0.098508|3.590644|4.334956|4.543173|5.160969|6.089708|6.006724|5.043871|4.483306|5.497065|0.161558|5.247050|3.419264|3.407102|4.408677|7.442896|47.069041|12.584188|8.065818|8.890277|17.743877|8.933944|5.624211|4.956069|5.630811|4.092770|3.261212|5.809054|2.607255|3.157371|0.067343|2.239775|1.992018|1.767211|1.808680|1.991015|0.072964|0.078598|0.064695|0.072276|0.078458|0.084039|0.096590|0.156456|0.116233|0.106173|0.126821|0.161979|0.122832|0.105296|0.080012|0.099815|0.085041|0.084853|0.110708|0.133001|0.500000| |2.159935|2.285241|3.780874|0.079132|2.804951|3.440939|3.128077|3.562435|3.841759|3.529524|3.091771|2.939901|3.467643|0.107383|3.772292|2.666974|2.685586|3.275427|4.738220|27.851454|6.788410|5.713501|5.660457|8.961394|17.715911|8.903023|5.654322|4.951976|7.009715|2.390890|4.164514|2.040826|2.493802|0.052240|1.777509|1.605009|1.458448|1.490695|1.627692|0.061014|0.062031|0.053470|0.059604|0.061014|0.069602|0.073439|0.111291|0.099730|0.089110|0.098374|0.113226|0.078367|0.072872|0.064786|0.080279|0.066929|0.071118|0.085681|0.103966|0.216101|0.500000| |1.586753|1.655625|2.555062|0.051551|1.897969|2.132656|2.101693|2.244500|2.510779|2.607131|2.376926|2.149209|2.894791|0.085199|3.382552|2.569612|2.920676|3.666412|4.584503|27.905496|5.786277|6.946878|5.665317|4.954160|5.651144|8.911853|17.725241|8.961663|7.002268|2.192912|3.744224|1.952330|2.403423|0.048894|1.797812|1.614674|1.453474|1.438934|1.565831|0.043717|0.046087|0.040629|0.043330|0.045877|0.048120|0.052493|0.066663|0.058409|0.057593|0.059570|0.072264|0.065464|0.055629|0.063046|0.074097|0.074149|0.081713|0.109711|0.115423|0.107592|0.124160|0.500000| |1.757519|1.843616|2.836838|0.055901|2.092300|2.300266|2.405565|2.520990|2.913007|3.252219|2.991500|2.576104|3.802994|0.105900|4.330150|3.226231|3.940540|5.554806|6.897010|47.350606|8.303022|13.555299|8.909575|5.632499|4.955442|5.623996|8.911801|17.757064|4.089733|2.808014|4.807786|2.432184|2.981826|0.060624|2.282613|2.011698|1.759321|1.719290|1.882104|0.047527|0.051783|0.044938|0.047510|0.052037|0.052158|0.059220|0.073415|0.061191|0.061449|0.064443|0.081231|0.085485|0.066625|0.076914|0.088756|0.101805|0.105156|0.188419|0.160554|0.123955|0.107568|0.215949|0.500000| |1.606628|1.692609|2.656793|0.054865|2.016758|2.361963|2.109867|2.266983|2.404933|2.347666|2.166152|2.063800|2.412305|0.071798|2.814062|2.068809|2.181909|2.587738|3.499159|20.866121|4.875523|4.827271|3.999159|4.477924|6.318087|8.893030|6.263844|4.453567|17.544504|1.846787|3.213144|1.644030|2.049382|0.042326|1.499042|1.373222|1.255989|1.261714|1.358607|0.045068|0.045715|0.040940|0.045068|0.045985|0.051805|0.054311|0.072469|0.066840|0.064830|0.062412|0.069455|0.057766|0.053515|0.051699|0.060777|0.055771|0.059985|0.072298|0.080207|0.104646|0.170453|0.167674|0.103904|0.500000| |1.541234|1.596556|2.473933|0.051062|1.834221|2.090845|1.990843|2.168008|2.360928|2.320380|2.097997|1.959490|2.476998|0.075062|2.933150|2.225375|2.381392|2.812238|3.619608|20.724434|4.641462|4.873815|3.968800|4.192310|5.628361|8.845829|7.117244|4.710718|17.594226|1.900580|3.245146|1.709685|2.105998|0.043027|1.541015|1.397350|1.281440|1.287318|1.398350|0.043222|0.044299|0.039401|0.042227|0.043462|0.047131|0.049583|0.064005|0.059102|0.056497|0.059536|0.069622|0.056232|0.050506|0.055573|0.066126|0.060023|0.067061|0.078846|0.089711|0.096573|0.142864|0.213980|0.111771|0.302168|0.500000| |1.701768|1.764910|2.781944|0.058282|2.058750|2.399041|2.230037|2.476557|2.659909|2.518424|2.251955|2.137020|2.605651|0.080270|3.035326|2.259221|2.332312|2.738802|3.657104|20.717506|4.815144|4.652268|3.968716|4.701640|7.074263|8.842419|5.651855|4.199040|17.583995|1.953237|3.350604|1.737060|2.133701|0.043967|1.537745|1.396037|1.284232|1.303780|1.418290|0.048237|0.048683|0.043105|0.046736|0.047423|0.052821|0.054657|0.073418|0.069377|0.064221|0.069341|0.079456|0.059020|0.054483|0.056262|0.068125|0.058423|0.064537|0.074160|0.087638|0.111476|0.211803|0.143511|0.096767|0.302019|0.301361|0.500000| |2.528699|2.333834|3.198703|0.062399|2.061725|1.969988|2.785542|2.926139|3.436492|3.911344|3.583386|3.022903|4.474806|0.112731|9.225713|6.245959|4.640216|3.670954|5.180203|20.591632|4.974886|4.809586|2.474503|2.364317|2.081489|1.929414|1.990140|2.233553|1.703717|8.825395|11.363806|17.608246|12.323462|0.209043|5.640980|4.160576|3.954860|4.775147|7.542739|0.066033|0.081983|0.066774|0.057336|0.066885|0.052434|0.058329|0.058671|0.053081|0.049913|0.073444|0.094090|0.101370|0.076956|0.219909|0.140891|0.135204|0.111563|0.089092|0.091613|0.068842|0.055081|0.051349|0.061993|0.044155|0.046006|0.047157|0.500000| |2.182480|2.087906|2.915125|0.056607|1.936776|1.884466|2.532088|2.633148|3.123652|3.692345|3.411483|2.806684|4.573197|0.112777|9.288513|7.162552|6.228164|4.444913|5.913982|22.914071|5.282881|5.596993|2.678665|2.456967|2.148437|2.028941|2.150916|2.462602|1.773936|8.643141|10.861955|17.677332|12.421641|0.185592|7.509294|4.747128|4.182091|4.446295|6.465590|0.057133|0.068961|0.057535|0.051868|0.060294|0.049093|0.055323|0.056762|0.050401|0.048305|0.065861|0.085612|0.100971|0.072347|0.250058|0.144597|0.210403|0.145013|0.110227|0.104646|0.069789|0.055731|0.055861|0.070131|0.045890|0.048317|0.048403|0.301853|0.500000| |1.933725|1.888536|2.586716|0.049685|1.763608|1.699498|2.178323|2.171167|2.450531|2.878108|2.884418|2.463073|3.278982|0.080538|5.542140|3.957723|4.033622|3.337217|4.577773|19.823951|4.689419|5.139467|2.290501|2.080006|1.835605|1.757540|1.881433|2.149301|1.553269|5.162382|8.558284|7.033329|12.398548|0.182319|17.600116|8.790246|6.811438|5.773793|7.026171|0.050068|0.059766|0.052030|0.047555|0.055620|0.045141|0.051297|0.050711|0.044930|0.044329|0.054589|0.065516|0.089194|0.066408|0.119653|0.090049|0.140156|0.100021|0.090286|0.079183|0.058768|0.047669|0.049587|0.062542|0.040849|0.042438|0.041989|0.150116|0.225976|0.500000| |2.184676|2.176407|3.012175|0.056893|2.058732|1.976565|2.593715|2.535088|2.891107|3.582843|3.735376|3.060494|4.062131|0.094232|6.692258|4.289159|4.431590|3.916441|5.826798|25.031006|6.021823|6.471709|2.710320|2.427225|2.083841|1.965724|2.110993|2.472491|1.706033|6.772533|12.588734|7.244321|12.361007|0.226328|17.648413|8.778537|5.490115|4.886757|5.598757|0.055790|0.067971|0.058096|0.054140|0.065088|0.051915|0.060757|0.059751|0.051493|0.051330|0.062210|0.075043|0.122703|0.082798|0.119428|0.096270|0.155048|0.103075|0.105590|0.089729|0.069351|0.053690|0.054805|0.071865|0.044967|0.046110|0.045885|0.144068|0.198842|0.299881|0.500000| |1.861826|1.859929|2.504685|0.047498|1.744813|1.658657|2.057962|1.976583|2.147844|2.505944|2.672256|2.369473|2.667205|0.065384|4.107535|2.789087|2.869250|2.628899|3.781519|17.837639|4.412025|4.708983|2.051924|1.874252|1.659149|1.587879|1.694159|1.926539|1.412664|3.709077|7.049255|4.145422|7.591395|0.145787|8.984366|17.580764|8.786391|5.505241|4.878521|0.047598|0.056497|0.050845|0.047298|0.055941|0.044971|0.051741|0.049049|0.043285|0.043851|0.049709|0.056180|0.084776|0.066632|0.079693|0.066994|0.093658|0.072065|0.073203|0.063702|0.053281|0.043322|0.044809|0.056156|0.037725|0.038405|0.038034|0.097262|0.115059|0.214239|0.212513|0.500000| |2.205658|2.196738|2.906877|0.054420|1.996050|1.856989|2.402466|2.261828|2.433598|2.870122|3.171630|2.827313|2.935324|0.070682|4.534215|2.908456|2.854624|2.656025|3.996896|18.713759|4.808630|4.744464|2.128251|1.977274|1.733502|1.629784|1.714153|1.949494|1.444819|4.311950|8.925902|4.631192|9.334932|0.210461|8.882354|17.525574|8.801905|6.762550|5.666925|0.055352|0.067753|0.060498|0.055146|0.067244|0.051227|0.059717|0.054754|0.048143|0.048672|0.056210|0.062382|0.101955|0.080517|0.082406|0.070105|0.090506|0.070204|0.071948|0.064717|0.057328|0.045591|0.044808|0.055816|0.038610|0.038907|0.039141|0.109058|0.116987|0.173307|0.215321|0.303992|0.500000| |1.768271|1.713873|2.277257|0.043846|1.560357|1.479593|1.850461|1.812649|1.960521|2.208108|2.274469|2.056878|2.351896|0.059431|3.746730|2.644559|2.599272|2.288731|3.190890|14.696660|3.612483|3.767839|1.764623|1.646554|1.483861|1.422845|1.498627|1.667759|1.284280|3.323374|5.934819|4.138843|7.692853|0.135293|6.767298|8.840300|17.531988|8.839242|6.742695|0.045679|0.053815|0.048851|0.043784|0.050701|0.040680|0.045454|0.043253|0.039219|0.038945|0.046378|0.052289|0.068830|0.056938|0.079524|0.064405|0.082408|0.067210|0.062296|0.056964|0.046851|0.039185|0.039836|0.048006|0.034148|0.035084|0.034940|0.104821|0.115651|0.199135|0.138765|0.214963|0.173247|0.500000| |1.855159|1.809859|2.364285|0.045137|1.626292|1.520044|1.897739|1.820243|1.930052|2.169526|2.303521|2.128488|2.231040|0.056036|3.452843|2.354487|2.295611|2.094655|3.005853|14.191478|3.583404|3.609218|1.698133|1.598525|1.438173|1.369524|1.432438|1.591301|1.237848|3.072089|5.799218|3.556059|6.642921|0.131868|5.509488|8.839183|17.596177|8.847454|5.503419|0.047365|0.056116|0.051876|0.046343|0.054290|0.042580|0.047833|0.044129|0.040028|0.040135|0.046471|0.050740|0.070122|0.060166|0.069002|0.058204|0.071333|0.058830|0.056998|0.052476|0.045903|0.038179|0.037948|0.045523|0.033128|0.033615|0.033710|0.091075|0.094199|0.139341|0.123217|0.209306|0.214906|0.303802|0.500000| |1.995254|1.875784|2.431148|0.046993|1.629865|1.519629|1.958363|1.919416|2.043145|2.246240|2.309571|2.139535|2.314352|0.059089|3.719666|2.567761|2.375051|2.104225|2.986350|13.652539|3.429581|3.374449|1.667007|1.595035|1.443706|1.366692|1.412681|1.553910|1.240993|3.307482|5.947568|4.134817|7.598563|0.144262|4.887179|5.505261|8.784764|17.580617|8.978504|0.051336|0.061305|0.056039|0.047746|0.055277|0.042792|0.047098|0.043922|0.040551|0.039668|0.049456|0.054445|0.067875|0.059019|0.078228|0.063942|0.072044|0.061260|0.055758|0.053492|0.046062|0.038635|0.037306|0.043879|0.032974|0.033701|0.034139|0.115598|0.105826|0.129522|0.107682|0.123079|0.138531|0.214947|0.209529|0.500000| |2.341481|2.212295|2.833500|0.053923|1.886034|1.731229|2.301339|2.206741|2.335696|2.617917|2.782191|2.578200|2.625476|0.065477|4.193816|2.743574|2.517578|2.278268|3.350893|15.343975|3.942978|3.748509|1.833541|1.757464|1.569650|1.468838|1.514425|1.681231|1.322186|3.904166|7.522450|4.616795|9.331263|0.207321|5.668304|6.768329|8.814865|17.520620|8.883041|0.058934|0.072830|0.065844|0.055574|0.066502|0.049174|0.055143|0.050126|0.045727|0.044967|0.055954|0.060846|0.083036|0.071974|0.081322|0.067826|0.076377|0.063328|0.059998|0.057406|0.051367|0.041989|0.039645|0.047263|0.035203|0.035632|0.036335|0.124090|0.110563|0.132485|0.127332|0.138649|0.197016|0.173377|0.215549|0.303904|0.500000| |2.408464|2.206347|2.895728|0.056155|1.884523|1.760500|2.411852|2.424731|2.659168|2.942941|2.919171|2.622865|3.080926|0.078187|5.346937|3.602990|3.079261|2.632857|3.767203|16.322095|4.076256|3.910350|1.980477|1.907358|1.706630|1.593920|1.637684|1.812864|1.432073|5.001449|8.398917|7.168540|12.364784|0.221512|5.591768|4.883063|5.482856|8.780366|17.621078|0.062028|0.076786|0.066140|0.054915|0.064237|0.048808|0.053858|0.051372|0.047232|0.045153|0.061822|0.071218|0.084018|0.069829|0.114513|0.087934|0.091876|0.077491|0.067228|0.066723|0.055622|0.045653|0.042739|0.050611|0.037652|0.038713|0.039624|0.233627|0.160149|0.143995|0.126591|0.107567|0.127459|0.138363|0.123241|0.212421|0.215805|0.500000| 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