Version2.0 2020-02-02T05:29:04Z 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 c1ccc(cc1)Cc2ccc(c(c2)S(=O)(=O)Oc3ccccc3)N4CC[NH2+][C@H](C4)c5ccccc5O C39530367 RHF 6-31G(d) (6D,7F) c1ccc(cc1)Cc2ccc(c(c2)S(=O)(=O)Oc3ccccc3)N4CC[NH2+][C@H](C4)c5ccccc5O C01[X(C29H29N2O4S1)] 189 C1 602 Oc1ccccc1[C@@H]1[NH2+]CCN(C1)c1ccc(cc1S(=O)(=O)Oc1ccccc1)Cc1ccccc1 Oc1ccccc1[C@@H]1[NH2+]CCN(C1)c1ccc(cc1S(=O)(=O)Oc1ccccc1)Cc1ccccc1 Oc1ccccc1[C@H]2CN(CC[NH2+]2)c3ccc(Cc4ccccc4)cc3[S](=O)(=O)Oc5ccccc5 InChIKey=RYGHBUIIZNSWGC-AREMUKBSSA-O InChI=1S/C29H28N2O4S/c32-28-14-8-7-13-25(28)26-21-31(18-17-30-26)27-16-15-23(19-22-9-3-1-4-10-22)20-29(27)36(33,34)35-24-11-5-2-6-12-24/h1-16,20,26,30,32H,17-19,21H2/p+1/t26-/m1/s1 InChI=1/C29H28N2O4S/c32-28-14-8-7-13-25(28)26-21-31(18-17-30-26)27-16-15-23(19-22-9-3-1-4-10-22)20-29(27)36(33,34)35-24-11-5-2-6-12-24/h1-16,20,26,30,32H,17-19,21H2/p+1/t26-/m1/s1/fC29H29N2O4S/h30H/q+1 c1ccc(cc1)Cc2ccc(c(c2)S(=O)(=O)Oc3ccccc3)N4CC[NH2+][C@H](C4)c5ccccc5O C01[X(C29H29N2O4S1)] 189 C01 602 Oc1ccccc1[C@@H]1[NH2+]CCN(C1)c1ccc(cc1S(=O)(=O)Oc1ccccc1)Cc1ccccc1 Oc1ccccc1[C@@H]1[NH2]CCN(C1)c1ccc(cc1S(=O)(=O)Oc1ccccc1)Cc1ccccc1 Oc1ccccc1[C@H]2CN(CC[NH2]2)c3ccc(Cc4ccccc4)cc3[S](=O)(=O)Oc5ccccc5 InChIKey=RUIJNBCWZQDBRQ-AREMUKBSSA-N InChI=1S/C29H29N2O4S/c32-28-14-8-7-13-25(28)26-21-31(18-17-30-26)27-16-15-23(19-22-9-3-1-4-10-22)20-29(27)36(33,34)35-24-11-5-2-6-12-24/h1-16,20,26,32H,17-19,21,30H2/t26-/m1/s1 InChI=1/C29H29N2O4S/c32-28-14-8-7-13-25(28)26-21-31(18-17-30-26)27-16-15-23(19-22-9-3-1-4-10-22)20-29(27)36(33,34)35-24-11-5-2-6-12-24/h1-16,20,26,32H,17-19,21,30H2/t26-/m1/s1 3998.1409604153 -1920.6624085 1-A 23121.8319 132 470 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.31988 -20.72781 -20.71875 -20.64769 -20.64754 -15.82092 -15.68579 -11.42554 -11.42448 -11.41508 -11.39202 -11.39067 -11.38752 -11.38270 -11.36967 -11.36386 -11.35852 -11.35101 -11.34520 -11.34514 -11.34304 -11.34154 -11.33739 -11.33635 -11.31549 -11.31317 -11.31312 -11.30953 -11.30928 -11.30698 -11.30628 -11.29429 -11.29408 -11.29285 -11.29247 -11.29001 -9.28906 -6.97588 -6.97489 -6.97384 -1.60916 -1.54382 -1.49342 -1.46444 -1.44481 -1.37852 -1.27717 -1.26958 -1.23559 -1.22219 -1.20706 -1.17059 -1.14879 -1.13797 -1.12833 -1.10971 -1.10093 -1.09998 -1.07762 -1.07363 -1.03224 -1.01156 -1.00804 -0.98013 -0.96023 -0.94438 -0.93720 -0.91908 -0.90921 -0.89891 -0.89096 -0.87966 -0.86333 -0.86026 -0.85030 -0.82255 -0.81006 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15237.3463 29210.5677 39856.5954 1.00000 0.00180 0.00066 -0.00180 1.00000 0.00021 -0.00066 -0.00021 1.00000 1 0.00568 0.00297 0.00217 0.11844 0.06178 0.04528 12.76 20.90 34.04 38.96 44.97 47.13 59.65 71.13 83.72 118.60 129.84 141.23 175.72 189.59 200.74 244.11 260.35 294.46 337.19 350.29 358.52 382.75 394.80 426.07 429.93 453.64 501.12 507.03 521.85 535.03 554.37 591.13 637.76 655.57 665.75 671.85 720.92 731.80 744.98 747.56 762.69 781.73 786.50 839.99 852.98 866.55 868.00 870.29 893.81 919.96 972.96 977.09 981.88 1009.82 1021.07 1094.00 1113.02 1133.02 1141.53 1159.28 1182.80 1202.17 1216.18 1232.23 1257.75 1262.17 1273.58 1285.52 1331.15 1359.37 1366.60 1376.56 1379.59 1379.87 1399.89 1409.57 1420.40 1450.06 1502.65 1504.84 1506.90 1520.45 1537.66 1562.17 1568.37 1575.60 1586.72 1587.02 1605.72 1617.54 1618.62 1626.52 1626.74 1629.16 1629.36 1635.69 1653.24 1671.56 1690.69 1703.41 1706.34 1727.74 1745.58 1756.06 1760.70 1764.72 1796.63 1828.21 1835.87 1845.78 1865.69 1873.55 1874.15 1878.12 1890.82 1892.66 1895.93 1916.42 1926.59 1935.89 1967.45 1969.39 1986.00 1994.79 2020.70 2037.48 2063.95 2082.94 2108.27 2110.91 2116.09 2124.37 2150.28 2165.56 2198.66 2211.90 2253.91 2263.74 2288.77 2298.15 2330.92 2335.28 2345.62 2348.47 2359.74 2368.58 2376.22 2394.03 2404.77 2412.13 2419.12 2535.49 2569.78 2579.56 2585.21 2590.58 2596.61 2606.30 2617.09 2635.18 4518.26 4530.93 4628.42 4681.52 4720.49 4774.37 4779.96 4784.25 4820.47 4824.17 4833.42 4841.30 4847.09 4847.77 4853.88 4862.17 4871.20 4872.13 4881.37 4883.82 4887.03 4888.04 4905.25 4908.11 4910.05 4935.75 5256.40 5353.93 5889.82 0.573530 0.602403 0.603347 0.508294 -1920.088878 -1920.060005 -1920.059061 -1920.154115 3.188127D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE c1ccc(cc1)Cc2ccc(c(c2)S(=O)(=O)Oc3ccccc3)N4CC[NH2+][C@H](C4)c5ccccc5O C39530367 RHF 6-31G(d) (6D,10F) C1 501.184804 |X|Y|Z| 84.328980 120.611090 38.253308 73.003614 33 6 7 8 16 29 2 1 1 |36.858105| |13.721705|36.858105| |7.933104|13.781604|36.858105| |6.824773|7.898368|13.678890|36.858105| |7.934373|6.891219|7.967359|13.733252|36.858105| |13.780262|7.955368|6.888389|7.894592|13.718678|36.858105| |4.421284|5.010602|7.540704|12.554182|7.536344|5.002374|36.858105| |3.713086|4.254478|5.957222|7.457710|5.327418|4.002106|12.523438|36.858105| |3.682789|4.050929|5.191665|6.235172|5.096534|4.002177|7.507255|13.707939|36.858105| |3.010848|3.293672|3.959559|4.339753|3.746453|3.166117|4.990820|7.876644|13.754401|36.858105| |2.612552|2.906706|3.491299|3.693964|3.139255|2.692303|4.402376|6.788238|7.930749|13.768524|36.858105| |2.626876|2.984899|3.709234|3.918239|3.197108|2.695883|5.011566|7.919421|6.934759|7.990499|13.697444|36.858105| |3.034538|3.508467|4.651574|5.132157|3.913013|3.154112|7.540344|13.702377|7.978074|6.875797|7.872746|13.752826|36.858105| |2.159952|2.433975|2.897842|2.961406|2.503027|2.184244|3.592065|4.686315|4.215045|4.778911|7.081652|10.737574|6.852245|388.023441| |2.083271|2.367997|2.754350|2.706384|2.302703|2.061121|3.108606|3.916999|3.681514|4.235617|5.942216|7.222678|5.174473|94.719902|73.516695| |1.931100|2.122116|2.475067|2.586505|2.260450|1.980977|3.115699|3.916708|3.679427|4.233245|5.940003|7.225218|5.175804|94.744683|13.820718|73.516695| |2.180537|2.477737|2.986268|3.044519|2.537322|2.201237|3.775894|4.562125|3.770495|3.867941|4.959840|7.486594|6.828782|85.917637|13.833026|13.830029|73.516695| |1.914774|2.152871|2.519162|2.537561|2.170258|1.921478|3.024271|3.434227|2.949859|3.026237|3.705483|4.870295|4.566159|52.519201|11.039234|11.043974|24.090944|36.858105| |1.747137|1.927441|2.227539|2.287839|2.001719|1.774420|2.724595|3.021059|2.638845|2.700615|3.226496|4.032756|3.833926|39.880424|8.222624|10.201021|14.145233|13.818443|36.858105| |1.574981|1.726589|1.958582|1.991294|1.767823|1.590739|2.306503|2.492414|2.219002|2.265061|2.635123|3.141241|3.021428|29.212530|6.608056|7.506688|9.267657|8.027398|13.750348|36.858105| |1.538293|1.696787|1.906907|1.901621|1.685909|1.534615|2.157067|2.314279|2.072582|2.114087|2.440317|2.871839|2.770081|26.331337|6.405388|6.408701|8.175840|6.958556|7.926676|13.742722|36.858105| |1.651672|1.847561|2.084226|2.041934|1.786265|1.629549|2.301907|2.491082|2.218677|2.265168|2.635479|3.140701|3.019512|29.226938|7.509981|6.616257|9.266950|8.027261|6.850023|7.927076|13.742785|36.858105| |1.854464|2.101688|2.419389|2.366184|2.028819|1.829181|2.717012|3.018701|2.638305|2.700793|3.227138|4.031604|3.830028|39.916794|10.214033|8.235796|14.142923|13.818181|7.873388|6.850104|7.926731|13.750245|36.858105| |2.227510|2.444085|2.816279|2.908580|2.561514|2.270832|3.313990|4.506012|5.108823|7.704285|13.389925|7.900254|5.152413|47.483306|11.240377|11.215075|7.802688|3.509156|3.109517|2.590166|2.413226|2.592174|3.112981|53.358707| |2.172484|2.395408|2.687169|2.675391|2.374758|2.165290|2.903387|3.756979|4.269948|5.958873|7.764830|5.584094|4.118487|36.618846|10.346104|8.275429|6.549926|3.092840|2.713599|2.336268|2.243553|2.448927|2.896123|17.945422|36.858105| |1.863373|2.038773|2.252332|2.234176|2.008851|1.852217|2.419441|2.987983|3.232264|4.117472|5.173618|4.339418|3.332884|33.322315|10.048890|8.073919|6.073159|3.032898|2.703509|2.377392|2.303754|2.501490|2.891733|10.797179|12.544448|36.858105| |1.712801|1.840347|2.023164|2.049375|1.876995|1.727676|2.233594|2.718137|2.960059|3.740994|4.531566|3.796341|2.984854|29.020730|7.847136|7.825779|5.437395|2.764702|2.571845|2.278897|2.167227|2.282421|2.576902|9.322967|7.732995|12.691280|53.358707| |1.579679|1.694043|1.850764|1.867535|1.717119|1.589227|2.028813|2.419011|2.580877|3.144879|3.743264|3.304444|2.665303|26.301208|7.206659|7.211608|5.088910|2.669971|2.516284|2.270604|2.172893|2.272373|2.518659|7.054245|5.698480|9.181285|25.650828|0.500000| |1.698734|1.808938|1.968308|1.996890|1.851045|1.716147|2.146772|2.588438|2.880711|3.641271|4.160939|3.410224|2.760056|24.707664|6.557848|6.545645|4.798286|2.440023|2.284628|2.042085|1.947839|2.044650|2.288211|8.087257|6.952320|9.173140|25.686481|0.326968|0.500000| |1.747448|1.868789|2.084336|2.160655|1.978201|1.790445|2.419405|2.982767|3.227559|4.112045|5.159884|4.325066|3.324605|33.153587|8.040016|9.977903|6.049131|3.021958|2.878236|2.491856|2.297614|2.372918|2.698001|10.730014|6.510317|7.493076|17.024450|0.257089|0.254344|36.858105| |1.725185|1.859588|2.089745|2.158883|1.955337|1.762206|2.449213|3.012589|3.137323|3.877821|5.072110|4.615581|3.488421|39.713344|9.508828|13.159817|6.981195|3.527627|3.368604|2.877270|2.624922|2.702570|3.095506|9.941458|5.878381|6.996973|12.485318|0.227668|0.181616|17.642686|0.500000| |2.003141|2.143252|2.426448|2.558848|2.328744|2.074148|2.905162|3.751330|4.269910|5.972369|7.762678|5.561489|4.105855|36.385343|8.255586|10.227476|6.515104|3.078088|2.878035|2.436371|2.235479|2.330338|2.706484|17.936452|7.846696|6.565914|10.531814|0.159155|0.194234|12.481044|0.249196|36.858105| |1.575488|1.659835|1.827620|1.908243|1.782297|1.625115|2.116781|2.520879|2.717905|3.304490|3.820878|3.333477|2.732394|25.104919|6.006495|7.606800|4.963749|2.562796|2.529849|2.248280|2.064835|2.085827|2.303348|6.797095|4.407333|4.959309|10.507948|0.203128|0.200931|12.579974|0.246691|7.353924|36.858105| |1.572905|1.635988|1.794329|1.899727|1.801915|1.641238|2.102015|2.475411|2.709458|3.249827|3.558568|3.078968|2.606602|21.936407|5.114281|6.503133|4.491517|2.304529|2.297979|2.047689|1.871892|1.878443|2.064635|5.893027|3.764587|3.890533|7.248294|0.136513|0.152674|7.447586|0.161202|6.399939|13.712861|36.858105| |1.426156|1.471626|1.598309|1.690548|1.621732|1.489458|1.853037|2.125642|2.295654|2.655221|2.837529|2.537411|2.217386|18.232508|4.286645|5.330990|3.876916|2.032551|2.057881|1.870608|1.714753|1.702415|1.838648|4.483220|2.972456|3.105191|5.487860|0.109541|0.116502|4.978181|0.119064|4.369336|7.880910|13.752371|36.858105| |1.313998|1.360219|1.470862|1.540588|1.473663|1.362078|1.680927|1.909088|2.027872|2.315772|2.504566|2.293282|2.012152|17.017156|4.076088|4.973835|3.660255|1.960759|1.999958|1.848783|1.704682|1.682184|1.792434|3.961508|2.701602|2.935254|5.171575|0.109484|0.107641|4.429665|0.111436|3.661226|6.832359|7.962236|13.773388|36.858105| |1.313250|1.371355|1.486134|1.542047|1.460157|1.350479|1.684848|1.925123|2.026495|2.329130|2.583548|2.386163|2.063150|18.323660|4.475058|5.402609|3.893149|2.108011|2.142984|1.989116|1.843693|1.823167|1.938217|4.191149|2.903870|3.312627|6.024389|0.135856|0.120866|5.029749|0.130320|3.802807|7.867100|6.881973|7.929749|13.749458|36.858105| |1.425604|1.501760|1.640198|1.696588|1.588368|1.461204|1.866410|2.174528|2.295755|2.701562|3.093299|2.820126|2.366276|22.090001|5.439188|6.633635|4.516227|2.415499|2.417839|2.205418|2.042341|2.043329|2.207506|5.272642|3.625820|4.316034|8.619111|0.200910|0.162587|7.615850|0.192743|4.931242|13.649574|7.980720|6.895999|7.977416|13.798388|36.858105| |1.409678|1.498038|1.635704|1.670747|1.550209|1.431052|1.832928|2.134121|2.221853|2.601485|3.038525|2.831164|2.359013|23.215135|5.970362|6.868619|4.721763|2.573710|2.549464|2.348794|2.206897|2.224575|2.391763|5.224845|3.744011|4.822391|9.324653|0.258664|0.160848|6.988532|0.201721|4.483027|8.131256|5.279486|4.620298|5.217737|7.934039|13.988478|73.516695| |17.722344|8.899340|5.643899|4.927305|5.641547|8.917462|3.538523|3.085867|3.105038|2.636436|2.317290|2.311697|2.605887|13.828079|3.371442|3.116730|3.478446|1.742339|1.597983|1.454526|1.428235|1.530754|1.701553|2.748924|1.995154|1.732090|2.173902|0.041125|0.044197|1.616536|0.044237|1.832067|1.468283|1.466863|1.338847|1.238833|1.237687|1.337102|2.353413|0.500000| |8.904780|17.717077|8.935132|5.630641|4.961460|5.653033|4.090182|3.667310|3.512454|2.991634|2.708717|2.782692|3.182799|16.595020|4.126452|3.602335|4.225483|2.093256|1.863743|1.684328|1.674612|1.837885|2.080355|3.167746|2.328008|2.003284|2.440217|0.046074|0.048920|1.796901|0.049789|2.032560|1.594928|1.560594|1.407319|1.309635|1.327401|1.453877|2.597462|0.214582|0.500000| |5.646195|8.942002|17.693722|8.896790|5.654873|4.958167|7.002868|6.154158|5.075053|4.035438|3.728893|4.115670|5.222967|23.011780|5.536391|4.763054|6.025250|2.827358|2.439611|2.132013|2.092504|2.326291|2.746552|4.078753|2.874469|2.410623|2.896842|0.054138|0.056914|2.181379|0.061416|2.521820|1.888426|1.829074|1.621450|1.500124|1.529283|1.700010|3.044134|0.124203|0.216124|0.500000| |5.650051|4.960007|5.652762|8.914113|17.697673|8.924879|6.986635|5.057040|4.910564|3.653448|3.060036|3.099778|3.757172|17.350199|3.930441|4.000622|4.386669|2.118232|1.984734|1.751652|1.653979|1.732119|1.956284|3.417923|2.290742|1.950715|2.520375|0.047097|0.050819|1.977390|0.054166|2.334345|1.800898|1.842133|1.664774|1.504551|1.479117|1.600368|2.752837|0.124215|0.107644|0.124116|0.500000| |8.920467|5.649893|4.960125|5.631707|8.915666|17.718682|4.084944|3.389480|3.458283|2.827317|2.418024|2.396497|2.743090|14.052941|3.318543|3.236874|3.525800|1.751225|1.635506|1.476730|1.422911|1.499595|1.666967|2.827981|1.984996|1.716005|2.203142|0.041512|0.044907|1.678241|0.045699|1.931295|1.541660|1.569240|1.435834|1.312959|1.294558|1.390482|2.410034|0.214752|0.124153|0.107614|0.215902|0.500000| |3.985682|4.191799|5.598172|8.914233|7.330358|4.782670|17.545452|8.940584|6.526469|4.549215|3.993454|4.413023|6.122675|23.332723|4.986513|5.286804|6.099616|2.810234|2.613450|2.224631|2.054822|2.150984|2.495514|4.204016|2.673864|2.260412|2.906112|0.054061|0.057291|2.346310|0.065691|2.814202|2.091235|2.110315|1.874418|1.690928|1.677580|1.841570|3.179240|0.090697|0.096356|0.140910|0.225243|0.113844|0.500000| |3.986507|4.646473|6.841308|8.899492|5.857136|4.293591|17.560176|8.933925|5.598294|4.188577|3.979143|4.802854|7.368749|26.033067|5.617625|5.564904|7.310837|3.310711|2.957287|2.496824|2.340135|2.509090|2.977924|4.202048|2.725718|2.324315|2.908314|0.054480|0.056522|2.308078|0.065983|2.701410|2.021700|1.986328|1.761882|1.615895|1.631356|1.805383|3.182911|0.090735|0.109591|0.196117|0.150697|0.099289|0.304964|0.500000| |4.182218|4.380080|5.384590|6.787792|6.117086|4.745206|6.972442|8.926951|17.731573|8.954093|5.654526|4.985215|5.664348|24.219080|5.451985|5.444565|5.559279|2.541715|2.311056|1.982566|1.863750|1.982942|2.311665|5.641639|3.656289|2.846914|3.603530|0.064750|0.072948|2.842038|0.075831|3.654721|2.466903|2.503958|2.159144|1.906329|1.885609|2.103797|3.598156|0.096804|0.102511|0.135222|0.164573|0.113763|0.178884|0.140797|0.500000| |2.863291|3.050134|3.497683|3.776291|3.437268|3.008646|4.077598|5.622867|8.922168|17.712646|8.932251|5.664827|4.953143|28.089751|6.514609|6.508303|5.737650|2.630107|2.386518|2.042270|1.918399|2.042814|2.387386|9.548749|6.001510|4.131504|5.245579|0.088966|0.108589|4.128189|0.103423|6.030706|3.392301|3.409075|2.776176|2.391373|2.379506|2.744827|4.633007|0.070902|0.077691|0.096885|0.093851|0.076159|0.106557|0.096288|0.216379|0.500000| |2.890489|3.358190|4.427260|4.781919|3.658246|2.980212|7.000721|8.913006|5.663806|4.958790|5.627592|8.936663|17.784729|46.167787|8.747925|8.752234|14.489589|5.316773|4.369210|3.380139|3.083831|3.376495|4.361383|5.707983|3.492865|2.974672|3.651296|0.067979|0.068628|2.967164|0.088192|3.480922|2.490126|2.366970|2.049165|1.885620|1.941514|2.205865|3.947408|0.069361|0.085591|0.141366|0.097607|0.072262|0.160692|0.226644|0.124351|0.107617|0.500000| |1.760984|1.924406|2.232235|2.340739|2.062392|1.811253|2.835660|3.159223|2.762607|2.825668|3.367836|4.195015|3.994976|39.655121|7.647935|11.178190|12.990068|8.948223|17.754202|8.852267|5.627030|4.943232|5.631949|4.380650|2.727932|2.686227|3.560145|0.070565|0.064789|3.020743|0.098054|3.057748|2.684649|2.469820|2.208420|2.126319|2.254178|2.534453|4.647532|0.044606|0.051168|0.067006|0.057494|0.046530|0.077030|0.084613|0.067054|0.069188|0.124788|0.500000| |1.477792|1.603456|1.805484|1.850599|1.664099|1.501156|2.133742|2.281097|2.052051|2.091027|2.397213|2.793234|2.702303|24.933868|5.619119|6.661657|7.490381|5.687961|8.937534|17.731004|8.908320|5.640838|4.941166|3.223786|2.134761|2.179066|2.899916|0.059284|0.053438|2.345865|0.074599|2.280310|2.166813|1.993849|1.845922|1.835147|1.964458|2.145164|4.022618|0.038041|0.043341|0.053944|0.046152|0.038971|0.057987|0.063696|0.051419|0.052867|0.082843|0.213462|0.500000| |1.424790|1.561385|1.734702|1.726860|1.547097|1.419657|1.933156|2.049911|1.855859|1.889771|2.148855|2.472403|2.397884|21.874775|5.399253|5.401783|6.492039|4.997157|5.643822|8.919397|17.728586|8.919613|5.643887|2.911281|2.012212|2.080211|2.687363|0.055413|0.049690|2.075297|0.065123|2.005689|1.895742|1.727981|1.601291|1.604279|1.733501|1.896611|3.643408|0.036970|0.042955|0.052481|0.042226|0.036761|0.051465|0.057960|0.046859|0.048140|0.073253|0.123776|0.214932|0.500000| |1.595166|1.785925|1.989426|1.924257|1.691647|1.560315|2.127288|2.279287|2.051601|2.091187|2.397708|2.792579|2.699876|24.950092|6.667714|5.627039|7.489765|5.687916|4.941140|5.640835|8.908306|17.731210|8.937546|3.227535|2.292978|2.355660|2.906924|0.059357|0.053544|2.176562|0.067920|2.131324|1.925174|1.737471|1.583809|1.571580|1.703734|1.898328|3.688973|0.041330|0.049843|0.061705|0.045338|0.039952|0.055067|0.064166|0.051434|0.052889|0.082720|0.107377|0.124054|0.214936|0.500000| |1.969695|2.265541|2.610515|2.494948|2.115400|1.917765|2.820641|3.154421|2.761469|2.825977|3.369051|4.192626|3.987129|39.716830|11.216765|7.663652|12.986384|8.947857|5.631895|4.943290|5.627156|8.852613|17.754442|4.389778|3.082502|3.038699|3.572871|0.070684|0.064975|2.683289|0.084217|2.724570|2.262123|2.026819|1.796276|1.743875|1.883289|2.153112|4.153950|0.050169|0.062932|0.083928|0.055948|0.048221|0.070569|0.085723|0.067087|0.069236|0.124370|0.124425|0.107378|0.123780|0.213474|0.500000| |2.325568|2.620737|2.954835|2.859930|2.488256|2.277724|3.066962|3.973910|4.397990|5.818235|7.412305|5.842292|4.399659|37.732976|11.529281|7.807953|6.929431|3.239594|2.758704|2.375974|2.317506|2.586388|3.107411|12.512359|17.642738|8.993395|7.656209|0.127422|0.142020|4.905764|0.132163|5.689337|3.571345|3.120693|2.552842|2.354975|2.525039|3.068389|5.731003|0.059148|0.071529|0.089798|0.065524|0.057350|0.076559|0.080670|0.103891|0.154158|0.103997|0.075631|0.059623|0.057519|0.067777|0.094738|0.500000| |2.192303|2.382427|2.623195|2.618270|2.371798|2.188653|2.770707|3.513282|4.178091|5.844155|6.439827|4.596037|3.637658|28.819368|7.787878|6.721929|5.508062|2.645171|2.366574|2.067889|1.989463|2.150692|2.493985|12.228587|17.425893|8.820667|9.304387|0.142310|0.199531|5.660175|0.133936|6.981892|4.188716|3.747057|2.982722|2.675728|2.816231|3.430630|6.104666|0.056283|0.064229|0.076371|0.063652|0.056133|0.071541|0.071138|0.103394|0.183812|0.085886|0.066515|0.053106|0.050126|0.056438|0.073416|0.301182|0.500000| |1.826636|2.014512|2.243392|2.217134|1.973497|1.811498|2.431133|2.989305|3.111275|3.835216|4.994672|4.558270|3.458298|39.245425|13.085092|9.372031|6.938527|3.515407|3.079098|2.693848|2.623917|2.882517|3.372677|9.721928|8.890407|17.659966|12.395306|0.225324|0.180551|6.819203|0.208751|5.768789|4.601034|3.580015|2.913134|2.806500|3.216232|4.184938|8.746989|0.047066|0.055144|0.067549|0.053167|0.046467|0.062837|0.065996|0.075345|0.102396|0.087573|0.083563|0.067653|0.065135|0.074882|0.098437|0.218862|0.173569|0.500000| |1.790694|1.954436|2.122995|2.079130|1.885106|1.763536|2.204790|2.658001|2.876433|3.548475|4.176142|3.593102|2.897578|27.073901|8.217939|6.478597|5.246262|2.681481|2.400908|2.156628|2.124041|2.314055|2.625826|7.715159|8.756425|17.616065|12.372164|0.219797|0.225545|5.530416|0.143185|4.939253|4.174918|3.395004|2.814242|2.706841|3.049454|3.826325|7.681394|0.046659|0.053899|0.062944|0.050609|0.045558|0.057191|0.058956|0.072024|0.100981|0.072847|0.065672|0.055163|0.053913|0.061591|0.077366|0.209041|0.214250|0.298708|0.500000| |2.009719|2.121946|2.366936|2.502310|2.322686|2.089165|2.771431|3.507538|4.177116|5.859055|6.444076|4.584019|3.628151|28.713697|6.729579|7.717866|5.487078|2.635884|2.479944|2.140607|1.983823|2.065160|2.363930|12.266910|7.015709|5.729153|9.345155|0.143337|0.201721|8.783938|0.174095|17.441371|6.735709|6.680007|4.558845|3.684745|3.682926|4.568313|7.149463|0.051317|0.055798|0.067260|0.064908|0.054461|0.075181|0.070526|0.103312|0.185064|0.085633|0.072839|0.056128|0.049995|0.053092|0.066558|0.143238|0.206715|0.132710|0.129349|0.500000| |2.009237|2.137491|2.444313|2.636573|2.405085|2.110139|3.077220|3.973675|4.414178|5.868216|7.442307|5.811918|4.383333|37.290352|7.756406|11.290148|6.859465|3.209074|3.072990|2.562440|2.300536|2.361131|2.740400|12.538587|5.695612|4.930493|7.643476|0.127873|0.142582|8.973055|0.218126|17.645470|6.682608|6.428690|4.469426|3.668309|3.701071|4.612331|7.267573|0.050779|0.055763|0.070130|0.067971|0.054677|0.084529|0.079434|0.104158|0.156000|0.103456|0.093466|0.067137|0.057138|0.059325|0.075253|0.128039|0.143002|0.129683|0.108652|0.300774|0.500000| |1.694515|1.755273|1.933106|2.069893|1.971050|1.782999|2.298416|2.735139|3.065263|3.733483|3.973569|3.330804|2.828434|22.565237|5.163316|6.560501|4.614261|2.319004|2.293534|2.021439|1.844526|1.860992|2.065369|6.417349|3.954066|3.823755|6.721256|0.120518|0.143802|6.839934|0.147868|7.304241|8.898091|17.747357|8.987701|5.675457|4.959294|5.655774|7.560339|0.043697|0.046158|0.054350|0.056302|0.047355|0.064496|0.059510|0.078857|0.110900|0.070175|0.068846|0.054452|0.047109|0.047753|0.056618|0.090685|0.111584|0.096502|0.092149|0.233365|0.214152|0.500000| |1.410703|1.443578|1.561510|1.662373|1.611778|1.482672|1.814149|2.057586|2.231269|2.541083|2.644308|2.370689|2.112483|16.664352|3.893526|4.791326|3.607558|1.887853|1.915715|1.746104|1.601007|1.586898|1.709784|4.043520|2.683671|2.727362|4.613459|0.090989|0.098868|4.061822|0.098976|3.834898|5.626584|8.924027|17.745114|8.911431|5.641417|4.966125|6.517234|0.036848|0.038218|0.043664|0.046278|0.039947|0.051437|0.047703|0.059067|0.074298|0.054282|0.057267|0.048056|0.041662|0.041100|0.046451|0.064930|0.075790|0.071085|0.069423|0.113918|0.111145|0.217352|0.500000| |1.232092|1.269522|1.365218|1.429386|1.375915|1.277805|1.550735|1.738176|1.837228|2.064771|2.203623|2.040421|1.819608|15.079192|3.620247|4.346058|3.308339|1.787415|1.833502|1.714092|1.585909|1.557455|1.644284|3.407618|2.347774|2.527522|4.284711|0.090912|0.089498|3.544538|0.091287|3.047263|4.932129|5.654748|8.919101|17.733479|8.945238|5.670972|7.484860|0.032388|0.033992|0.038555|0.039096|0.034370|0.043490|0.041511|0.048394|0.059181|0.047713|0.054033|0.047600|0.041769|0.040597|0.044392|0.057792|0.064932|0.067558|0.065771|0.085709|0.085401|0.124673|0.214466|0.500000| |1.231572|1.286320|1.387759|1.432152|1.357183|1.261507|1.556958|1.760742|1.836510|2.083044|2.302443|2.160811|1.888741|16.780777|4.151041|4.881383|3.629202|1.997627|2.040792|1.925919|1.799314|1.770940|1.857909|3.677358|2.595180|2.986943|5.202755|0.120409|0.103708|4.110024|0.110789|3.196761|5.614163|4.955764|5.637484|8.890838|17.705714|8.926912|12.752887|0.032355|0.034731|0.039732|0.038101|0.033635|0.042990|0.042137|0.047648|0.058810|0.049865|0.059097|0.053122|0.047415|0.046242|0.050043|0.063881|0.069744|0.081864|0.078010|0.085729|0.086416|0.107616|0.123954|0.215171|0.500000| |1.321316|1.401059|1.522656|1.552030|1.445206|1.339581|1.695958|1.947500|2.009512|2.310050|2.659575|2.525114|2.145734|20.758412|5.346624|6.074010|4.356085|2.423823|2.432274|2.286881|2.160657|2.156049|2.275579|4.413466|3.184185|3.991732|7.048764|0.185697|0.127271|5.205234|0.152989|3.678184|6.037199|4.423197|4.151762|4.950814|7.690447|9.879633|35.673857|0.034586|0.038059|0.044242|0.040122|0.035349|0.046074|0.046273|0.051207|0.064104|0.056768|0.068922|0.061798|0.056360|0.056180|0.061386|0.078270|0.081920|0.114921|0.102860|0.093281|0.095663|0.100749|0.093670|0.116065|0.227282|0.500000| 1918.305209 -12473.575930 4868.871582 -232.404577 -5918.803715 3998.141248 -1920.662467 2.001229 3DA4E2000000000D 455A4B076B1CC0DC 44D9666D9103A03A 42E68DD875800000 33EA83B4A5A863FF 4551554484FAFD69