Version2.1 2021-01-12T05:52:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)c4ccccc4O C09715016 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)c4ccccc4O C01[X(C23H31N4O4S1)] 183 C1 546 O=C([C@H]([NH+]1CCN(CC1)c1ccccc1O)C)Nc1ccc(cc1)S(=O)(=O)N1CCCC1 O=C([C@H]([NH+]1CCN(CC1)c1ccccc1O)C)Nc1ccc(cc1)S(=O)(=O)N1CCCC1 C[C@@H]([NH+]1CCN(CC1)c2ccccc2O)C(=O)Nc3ccc(cc3)[S](=O)(=O)N4CCCC4 InChIKey=HTFJGPYFTISXPB-GOSISDBHSA-O InChI=1S/C23H30N4O4S/c1-18(25-14-16-26(17-15-25)21-6-2-3-7-22(21)28)23(29)24-19-8-10-20(11-9-19)32(30,31)27-12-4-5-13-27/h2-3,6-11,18,28H,4-5,12-17H2,1H3,(H,24,29)/p+1/t18-/m1/s1 InChI=1/C23H30N4O4S/c1-18(25-14-16-26(17-15-25)21-6-2-3-7-22(21)28)23(29)24-19-8-10-20(11-9-19)32(30,31)27-12-4-5-13-27/h2-3,6-11,18,28H,4-5,12-17H2,1H3,(H,24,29)/p+1/t18-/m1/s1/fC23H31N4O4S/h24-25H/q+1 C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)c4ccccc4O C01[X(C23H31N4O4S1)] 183 C01 546 O=C([C@H]([NH+]1CCN(CC1)c1ccccc1O)C)Nc1ccc(cc1)S(=O)(=O)N1CCCC1 O=[C]([NH][C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N1CCCC1)[C@H]([NH]1CC[N@](CC1)[C]1[CH][CH][CH][CH][C]1O)C C[C@@H]([NH]1CCN(CC1)[C]2[CH][CH][CH][CH][C]2O)C(=O)N[C]3[CH][CH][C]([CH][CH]3)[S](=O)(=O)N4CCCC4 InChIKey=RPUNLQHEPLXXQE-GOSISDBHSA-N InChI=1S/C23H31N4O4S/c1-18(25-14-16-26(17-15-25)21-6-2-3-7-22(21)28)23(29)24-19-8-10-20(11-9-19)32(30,31)27-12-4-5-13-27/h2-3,6-11,18,25,28H,4-5,12-17H2,1H3,(H,24,29)/t18-/m1/s1 InChI=1/C23H31N4O4S/c1-18(25-14-16-26(17-15-25)21-6-2-3-7-22(21)28)23(29)24-19-8-10-20(11-9-19)32(30,31)27-12-4-5-13-27/h2-3,6-11,18,25,28H,4-5,12-17H2,1H3,(H,24,29)/t18-/m1/s1/f/h24H 3299.9674431749 -1803.5052768 1-A 31547.0035 122 424 546 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.8409 13.6601 19.7934 22.6874 37.7646 40.9074 48.7290 54.6400 62.7148 85.0377 92.7587 103.5139 118.9100 135.3068 159.3137 178.7643 190.2224 214.8316 226.7253 244.2373 255.4641 268.5915 271.8006 281.8869 292.6003 325.8519 344.5050 360.7085 384.1492 387.6134 391.5326 414.0986 427.0728 434.9460 454.9915 461.1806 496.5269 512.5076 530.7965 540.1928 542.2202 566.5704 569.7495 577.1835 609.6550 618.9656 621.4321 621.9468 639.0762 670.7363 690.5618 696.5949 745.8486 781.6923 797.2503 816.0704 822.3767 824.6081 836.9919 859.8602 887.0097 901.5454 912.4635 922.1761 933.2660 936.5828 953.6814 964.4367 970.4567 978.6409 981.4215 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0.03287 0.03207 8.40 19.65 28.48 32.64 54.33 58.86 70.11 78.61 90.23 122.35 133.46 148.93 171.09 194.68 229.22 257.20 273.69 309.09 326.21 351.40 367.56 386.44 391.06 405.57 420.99 468.83 495.67 518.98 552.70 557.69 563.33 595.80 614.46 625.79 654.63 663.54 714.39 737.38 763.70 777.22 780.13 815.17 819.74 830.44 877.16 890.55 894.10 894.84 919.49 965.04 993.56 1002.24 1073.11 1124.68 1147.07 1174.14 1183.22 1186.43 1204.24 1237.15 1276.21 1297.12 1312.83 1326.81 1342.76 1347.53 1372.13 1387.61 1396.27 1408.05 1412.05 1454.28 1458.91 1471.97 1489.77 1528.68 1552.99 1580.28 1589.00 1598.45 1603.11 1615.96 1616.67 1618.58 1641.18 1641.89 1654.20 1704.02 1711.48 1724.17 1731.12 1733.13 1757.23 1759.53 1778.49 1812.13 1828.63 1837.45 1851.18 1860.90 1869.96 1881.62 1889.60 1895.69 1896.99 1915.57 1920.17 1936.71 1975.37 1987.51 1996.59 2007.29 2035.23 2037.14 2066.90 2094.88 2105.95 2114.94 2124.34 2129.27 2137.91 2145.13 2151.73 2173.42 2178.76 2202.62 2212.02 2242.43 2247.53 2264.91 2277.27 2284.58 2318.50 2342.63 2354.06 2354.25 2359.73 2363.25 2367.11 2369.33 2380.34 2385.47 2408.42 2409.35 2413.85 2426.68 2492.92 2578.13 2593.65 2600.17 2613.72 2790.82 4544.44 4561.19 4598.06 4636.43 4653.50 4657.29 4669.33 4717.17 4720.49 4723.24 4730.29 4732.36 4750.77 4752.29 4755.39 4763.97 4784.44 4794.97 4825.25 4828.58 4829.47 4836.37 4863.76 4887.76 4900.89 4913.79 4915.77 4982.04 5200.76 5547.26 5881.27 0.574163 0.602140 0.603084 0.509508 -1802.931114 -1802.903136 -1802.902192 -1802.995769 3.138588D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)c4ccccc4O C09715016 RHF 6-31G(d) (6D,10F) C1 459.206603 |X|Y|Z| 42.604379 32.824900 169.275545 61.861051 27 6 7 16 22 4 1 |36.858105| |12.439706|36.858105| |8.819728|17.611201|0.500000| |7.610731|12.373470|0.241901|36.858105| |5.969770|8.095596|0.166227|15.839327|73.516695| |6.001027|7.832092|0.201875|14.255820|14.901259|53.358707| |4.263065|4.987759|0.131570|7.655232|11.465747|18.209503|36.858105| |3.692386|4.193474|0.106272|6.292537|11.563543|10.485305|13.741544|36.858105| |2.933683|3.222517|0.084193|4.324733|7.932996|6.970940|7.975343|13.741669|36.858105| |2.667302|2.898608|0.078334|3.689281|6.403737|6.195032|6.893022|7.914867|13.768128|36.858105| |2.860444|3.125898|0.086978|3.912881|6.385949|7.067769|7.936452|6.837249|7.935187|13.732127|36.858105| |3.547815|3.985802|0.112061|5.191307|7.874414|10.850720|13.703899|7.903373|6.894231|7.964685|13.808552|36.858105| |2.141256|2.281835|0.062073|2.751871|4.866851|4.346702|4.192553|4.708738|6.931370|10.701053|6.933440|4.724725|388.023441| |1.999807|2.141697|0.059434|2.519124|4.367080|4.000974|3.720844|3.859055|5.011350|7.412481|6.511203|4.448349|94.798258|73.516695| |2.027349|2.171426|0.058406|2.620668|4.789317|3.978815|3.721103|4.448917|6.542070|7.409911|4.988624|3.860628|94.819339|13.545587|73.516695| |2.052476|2.119834|0.057358|2.504486|4.414376|3.910270|3.624884|3.988315|5.354127|6.986655|5.420946|4.025144|84.131459|13.792748|13.809335|53.358707| |1.960067|1.997204|0.054692|2.300689|3.973645|3.612100|3.235128|3.339660|4.093677|5.267348|4.864236|3.729481|49.896092|11.645135|8.882501|17.670892|36.858105| |1.797335|1.802481|0.049005|2.045821|3.575126|3.126753|2.706763|2.836123|3.364735|3.926313|3.594536|2.974168|34.916626|7.928190|7.284591|11.144782|12.467983|36.858105| |1.904828|1.898130|0.050829|2.180521|3.871961|3.291718|2.863735|3.118300|3.738958|4.100779|3.560435|3.015759|34.706522|7.119698|7.761875|11.064553|7.935751|12.440649|36.858105| |1.997602|2.033199|0.054212|2.392686|4.307995|3.623595|3.264326|3.730456|4.850385|5.323031|4.167421|3.395977|50.103058|8.869828|11.703979|17.634615|7.751653|7.893951|12.435232|36.858105| |7.499190|12.661185|0.252944|7.893274|13.080511|7.207408|3.923053|3.582509|2.849943|2.538022|2.651398|3.208363|14.652779|3.441888|3.571532|2.592879|1.781780|1.625702|1.716332|1.847302|53.358707| |6.711784|9.491104|0.185006|8.123122|16.562752|7.069874|4.004932|3.843794|3.022263|2.619841|2.669640|3.183835|15.108364|3.496753|3.730062|2.674415|1.816276|1.664729|1.777799|1.927168|25.565731|0.500000| |6.513156|7.471293|0.179598|5.036082|8.567114|5.267266|3.050171|2.828162|2.347560|2.131531|2.222454|2.615374|12.674038|3.000272|3.094593|2.279867|1.585699|1.466101|1.543057|1.636819|17.270852|0.256332|36.858105| |4.357715|4.926525|0.123957|3.931912|7.180207|4.269077|2.611067|2.504177|2.128942|1.929298|1.977476|2.265754|11.702149|2.773276|2.900226|2.098957|1.453136|1.352200|1.424301|1.516182|10.455982|0.197476|12.511625|36.858105| |3.671559|4.431706|0.118463|3.707344|6.730849|4.136637|2.566395|2.454581|2.106307|1.922833|1.975717|2.253345|11.710306|2.800676|2.910739|2.073064|1.432720|1.324862|1.385269|1.484430|9.018060|0.165570|7.795904|13.141310|53.358707| |3.791765|4.975656|0.131593|4.438350|8.274256|4.837389|2.992170|2.875055|2.428466|2.188688|2.239554|2.574123|13.134927|3.129259|3.278782|2.287179|1.563679|1.432188|1.499725|1.628210|10.418853|0.198691|6.632864|7.964997|17.873190|36.858105| |4.941978|7.662593|0.207008|6.311872|10.719568|6.515437|3.739122|3.419855|2.783982|2.511304|2.630345|3.145427|14.619931|3.483299|3.583805|2.534735|1.736952|1.572479|1.642731|1.784439|17.201800|0.259483|7.734214|6.668329|10.663034|12.534490|36.858105| |2.895186|3.325154|0.089702|2.934057|5.408534|3.395789|2.182697|2.123978|1.866620|1.714259|1.745163|1.949021|10.647917|2.555370|2.668933|1.890284|1.307655|1.217412|1.271081|1.359664|6.059294|0.118601|5.079380|7.844832|17.989349|7.832028|5.088979|36.858105| |2.614713|2.940655|0.077572|2.707569|5.151680|3.143729|2.064976|2.056448|1.824392|1.661975|1.666911|1.837350|10.418529|2.484158|2.641139|1.852847|1.274343|1.193340|1.253041|1.344107|5.210367|0.108414|4.178059|6.131356|10.416379|6.151001|4.190632|13.688935|36.858105| |2.204611|2.427314|0.064875|2.267207|4.278700|2.700164|1.805262|1.805009|1.629118|1.497304|1.497837|1.630314|9.525827|2.281998|2.422582|1.700144|1.173101|1.103990|1.155796|1.235665|4.084353|0.084585|3.248150|4.349332|6.923195|4.353405|3.253357|7.913909|13.811589|36.858105| |2.047807|2.242965|0.061176|2.072938|3.829673|2.509146|1.678405|1.659466|1.507013|1.401748|1.413473|1.536307|8.962163|2.165109|2.266240|1.601939|1.112887|1.046988|1.088919|1.158773|3.688186|0.074387|2.964680|3.813623|6.162115|3.807923|2.965399|6.883457|7.971161|13.694675|36.858105| |2.169770|2.394515|0.066459|2.164988|3.924112|2.626877|1.736960|1.691831|1.528557|1.430874|1.458249|1.597350|9.096955|2.209375|2.281409|1.624238|1.133677|1.062096|1.099621|1.167533|3.944441|0.077253|3.230234|4.123128|7.001513|4.108190|3.227854|7.916492|6.873734|7.908243|13.814632|36.858105| |2.560306|2.886943|0.080430|2.541538|4.570425|3.033137|1.966471|1.895388|1.687799|1.573756|1.614175|1.792172|9.871622|2.392879|2.462811|1.756995|1.225056|1.141633|1.183114|1.258549|4.937283|0.094279|4.147343|5.552856|10.716837|5.523312|4.144084|13.707245|7.923555|6.849387|7.955603|13.709052|36.858105| |2.640666|2.982943|0.085848|2.562993|4.478104|3.100938|1.991092|1.884487|1.676424|1.579848|1.641525|1.834783|9.880930|2.412644|2.441583|1.759788|1.235483|1.147262|1.181764|1.252093|4.960774|0.091116|4.207321|5.102074|9.400799|5.064459|4.196559|7.988842|5.229012|4.618730|5.277511|8.106606|14.179235|73.516695| |17.620481|8.734535|0.213575|5.500723|8.146937|6.317403|3.497561|3.066428|2.524880|2.340123|2.516089|3.049411|13.684078|3.234929|3.243806|2.523625|1.789858|1.652844|1.737006|1.804409|9.000314|0.156478|6.964681|4.513334|5.069605|3.642398|4.582547|2.946455|2.615854|2.217061|2.085557|2.236937|2.651830|4.948642|0.500000| |17.595380|8.904152|0.210506|7.084708|9.545730|8.952603|4.687322|3.901563|3.108714|2.874768|3.149080|3.981547|16.222058|3.788246|3.771897|3.008255|2.132112|1.944746|2.055270|2.136648|7.511883|0.142144|4.791220|3.503379|4.194024|3.223568|4.125441|2.508303|2.290300|1.967854|1.843091|1.947297|2.260589|4.165058|0.303328|0.500000| |17.578451|8.763220|0.172748|6.897513|11.066567|7.170445|4.010418|3.685202|2.936109|2.611726|2.720451|3.281180|15.042592|3.463597|3.607725|2.782882|1.934872|1.794660|1.929634|2.025170|9.325407|0.195244|6.172452|4.387833|4.858230|3.666214|4.499827|2.865427|2.657516|2.238139|2.049188|2.135813|2.493844|4.463466|0.299159|0.302651|0.500000| |6.089644|7.624531|0.228320|9.544715|10.862212|26.026267|9.307246|5.745902|4.296009|4.097371|4.944732|7.694336|21.171865|5.021546|4.762776|3.695222|2.580280|2.230151|2.304647|2.487104|6.751924|0.127680|3.794565|3.027761|4.009259|3.357307|4.542223|2.420044|2.208666|1.909281|1.797070|1.901861|2.199607|4.070509|0.136051|0.196740|0.138579|0.500000| |3.882701|4.427370|0.107316|6.837662|14.806900|9.487107|8.888367|17.826693|8.938420|5.649511|4.941988|5.629252|27.762306|5.767560|6.942102|4.662762|2.896401|2.550508|2.846172|3.358812|5.347929|0.122608|3.057770|2.730722|3.601568|3.127102|3.669150|2.281330|2.233541|1.942664|1.763028|1.783575|2.002731|3.495192|0.088573|0.109825|0.111754|0.142938|0.500000| |2.651912|2.878220|0.074603|3.746620|7.178395|5.640710|5.667532|8.938924|17.757574|8.943706|5.651917|4.966616|47.147408|8.221308|13.417438|7.177302|3.877177|3.323651|3.820739|5.198413|3.579874|0.078542|2.200091|2.032802|2.735808|2.307650|2.573735|1.804292|1.787354|1.605778|1.478480|1.486253|1.628041|2.848650|0.064100|0.076758|0.075101|0.098159|0.216036|0.500000| |2.558857|2.760007|0.078157|3.294559|5.370269|5.736193|5.646455|4.936970|5.648260|8.911718|17.757407|8.937474|47.073767|13.220194|8.159718|7.320410|5.285229|3.744589|3.498657|3.957091|3.223531|0.065551|2.026087|1.813819|2.477482|2.039478|2.368425|1.621855|1.546482|1.400665|1.331732|1.377154|1.516160|2.755514|0.063801|0.078205|0.067262|0.116925|0.107401|0.124339|0.500000| |3.608841|4.034043|0.119075|4.868341|7.099053|10.018005|8.876228|5.625453|4.961638|5.660753|8.958993|17.698017|27.794876|6.922995|5.755777|4.706588|3.367843|2.728788|2.705748|2.942741|4.337540|0.085363|2.635593|2.257820|3.065451|2.540956|3.139242|1.941761|1.808350|1.607108|1.527999|1.603395|1.804673|3.328193|0.087839|0.114333|0.089848|0.236313|0.123717|0.107735|0.216136|0.500000| |2.129255|2.152934|0.059163|2.478288|4.207670|3.967135|3.562453|3.546370|4.202239|5.464185|5.497651|4.239886|43.312272|10.290247|7.733947|12.258159|17.517977|8.773140|6.678070|6.233895|2.571540|0.053204|1.677900|1.521151|2.032580|1.626791|1.827244|1.353677|1.311419|1.202332|1.141760|1.168018|1.268107|2.283810|0.053850|0.065288|0.057975|0.079671|0.084226|0.105991|0.168859|0.107483|0.500000| |1.838809|1.890424|0.052280|2.156548|3.711743|3.378659|2.988369|3.033709|3.665201|4.758153|4.571496|3.499743|46.865776|13.236978|8.410121|12.328056|17.664622|8.682442|5.703061|5.799834|2.309937|0.047777|1.514739|1.394110|1.884924|1.511528|1.673731|1.268706|1.234332|1.140210|1.086081|1.108141|1.194685|2.147257|0.046979|0.055238|0.050083|0.067696|0.073383|0.096359|0.146175|0.089710|0.300559|0.500000| |1.759789|1.745691|0.047638|1.953944|3.386547|2.981460|2.529521|2.591658|2.969112|3.414236|3.269289|2.788039|28.278724|6.693262|5.971237|7.921737|8.730589|17.590674|8.676699|5.642668|2.136005|0.044417|1.426398|1.311862|1.743829|1.375202|1.511021|1.177558|1.151189|1.066389|1.014438|1.031338|1.108120|1.986024|0.045239|0.053164|0.048686|0.059781|0.065185|0.080368|0.095611|0.072632|0.218725|0.194089|0.500000| |1.647072|1.661728|0.045277|1.875043|3.297736|2.834628|2.430148|2.559786|3.034228|3.497182|3.180228|2.649143|32.434532|7.625482|7.110650|9.398026|8.861582|17.563944|8.813373|6.806113|2.063025|0.043121|1.372348|1.275857|1.709465|1.356824|1.477494|1.161181|1.141743|1.061120|1.007729|1.020084|1.091726|1.947142|0.042298|0.049042|0.045713|0.056144|0.064660|0.084844|0.092533|0.067922|0.174399|0.220572|0.301470|0.500000| |2.060656|2.024207|0.053951|2.325297|4.102055|3.524204|3.050089|3.285772|3.820973|4.106149|3.664385|3.187894|31.457950|6.509327|6.927623|9.130462|6.833964|8.827740|17.547623|8.824680|2.463846|0.052086|1.627904|1.490037|1.957188|1.551708|1.711091|1.312298|1.290048|1.185393|1.115775|1.128920|1.219007|2.168117|0.051983|0.062425|0.058157|0.068635|0.083339|0.105834|0.098442|0.079595|0.187496|0.137987|0.216996|0.173939|0.500000| |1.763056|1.749152|0.046730|1.987804|3.560547|2.946877|2.509051|2.741190|3.212812|3.400105|2.980043|2.594244|28.395088|5.991686|6.764764|7.944916|5.661043|8.674227|17.595107|8.733888|2.177387|0.046146|1.450777|1.349041|1.783324|1.411113|1.530629|1.209703|1.198355|1.110297|1.045890|1.052447|1.127227|1.995592|0.044940|0.052406|0.049928|0.057327|0.071167|0.093222|0.081262|0.065391|0.136011|0.126045|0.196422|0.216208|0.301946|0.500000| |1.831868|1.875657|0.050072|2.189372|3.983398|3.260564|2.885021|3.310936|4.246353|4.528493|3.580477|2.967739|44.711118|8.281549|12.155427|12.341297|6.079319|6.495558|8.714635|17.616581|2.355023|0.050234|1.540796|1.442372|1.931437|1.556003|1.685698|1.309753|1.301839|1.203029|1.128091|1.132181|1.214149|2.139795|0.046256|0.053802|0.051700|0.062180|0.084718|0.131690|0.095491|0.072287|0.134635|0.141557|0.133583|0.181042|0.174544|0.219463|0.500000| |2.178910|2.214769|0.058284|2.652230|4.843513|3.990154|3.636271|4.356944|5.768830|5.735466|4.318923|3.625355|46.076774|7.955484|11.463034|12.223197|5.892162|5.729615|8.716291|17.585929|2.734263|0.058808|1.766400|1.632041|2.162192|1.749546|1.922317|1.448281|1.435301|1.312488|1.223625|1.230366|1.330745|2.344765|0.054098|0.064649|0.061993|0.074636|0.110102|0.179797|0.108331|0.085484|0.148309|0.128297|0.126854|0.137713|0.223428|0.192747|0.301782|0.500000| |6.068998|6.866299|0.190711|4.532714|7.325268|5.028823|2.910838|2.638053|2.216714|2.051891|2.173199|2.564489|12.255966|2.935434|2.966610|2.206233|1.549406|1.428812|1.489532|1.571124|12.382291|0.180622|17.621277|8.809368|9.520471|5.813316|7.023663|4.757216|3.770791|3.030669|2.872316|3.232754|4.190003|8.125909|0.197420|0.129749|0.147030|0.104826|0.077262|0.057313|0.055639|0.073330|0.045696|0.041328|0.038779|0.037172|0.043612|0.038843|0.041052|0.046716|0.500000| |7.446741|6.896520|0.157965|4.805342|8.254607|5.083574|2.973370|2.781565|2.314810|2.096531|2.175631|2.547485|12.502703|2.940694|3.048811|2.278747|1.589153|1.480251|1.567385|1.650209|12.318821|0.222473|17.675759|8.866348|7.683053|4.974313|5.622068|4.179345|3.657872|2.938981|2.678343|2.856552|3.507608|6.254848|0.232244|0.145897|0.214477|0.101465|0.083945|0.060487|0.055077|0.071009|0.046832|0.041921|0.040144|0.038367|0.046238|0.041033|0.043016|0.049646|0.299956|0.500000| |3.862660|4.090921|0.106133|3.299127|5.932003|3.717191|2.310049|2.214136|1.912937|1.752611|1.799558|2.042187|10.761854|2.562224|2.662874|1.946315|1.357046|1.270401|1.334406|1.409162|7.623499|0.144360|8.983252|17.617283|12.488581|5.726822|4.980532|7.311379|5.761969|4.353447|3.955615|4.349252|5.760524|9.510561|0.115853|0.088199|0.108047|0.074375|0.066324|0.050913|0.046273|0.056914|0.039446|0.036227|0.034388|0.033358|0.038783|0.035244|0.037303|0.041933|0.215694|0.213934|0.500000| |4.149303|4.574577|0.110621|3.900928|7.524375|4.187661|2.608484|2.567275|2.182871|1.950763|1.969196|2.235987|11.861203|2.784043|2.967282|2.131791|1.465176|1.369795|1.454832|1.554135|9.360303|0.207557|8.872389|17.446532|12.225944|7.067761|5.788409|6.796870|6.397991|4.477887|3.711214|3.773986|4.734192|7.380959|0.114739|0.093575|0.122733|0.080625|0.079352|0.058551|0.049894|0.060959|0.042432|0.038889|0.036803|0.035923|0.042271|0.038400|0.041168|0.046753|0.173355|0.217622|0.302490|0.500000| |3.224559|4.141991|0.114724|3.841993|7.049007|4.413453|2.808241|2.698170|2.325642|2.123063|2.175901|2.471013|12.880673|3.100430|3.223006|2.225126|1.522925|1.391071|1.446532|1.574169|7.602687|0.145206|4.961239|5.727174|12.482023|17.617862|8.984850|7.289215|5.784627|4.357189|3.942583|4.317815|5.703054|9.381909|0.086606|0.078684|0.085766|0.086068|0.080085|0.061520|0.055521|0.068040|0.043821|0.041185|0.037056|0.036784|0.041307|0.037824|0.041998|0.046656|0.130332|0.109178|0.127900|0.143633|0.500000| |3.627112|4.617582|0.116342|4.432930|8.921144|4.762008|3.018924|3.004722|2.535743|2.241557|2.247915|2.554052|13.477850|3.172965|3.408913|2.344606|1.587018|1.459113|1.541233|1.684339|9.333097|0.209057|5.765808|7.059312|12.207997|17.458777|8.872451|6.780892|6.413810|4.479129|3.703580|3.760032|4.712132|7.340311|0.094435|0.086233|0.101378|0.089190|0.093292|0.067893|0.056430|0.068660|0.045622|0.042440|0.038747|0.038441|0.044231|0.040394|0.044867|0.050622|0.133289|0.129889|0.143535|0.208088|0.302419|0.500000| |4.604900|7.212448|0.194052|7.319892|12.634599|7.618440|4.406366|4.025459|3.209193|2.858997|2.986478|3.609649|16.318070|3.872976|4.006733|2.776650|1.881828|1.685595|1.761826|1.939317|12.321999|0.226112|5.628474|4.984132|7.687973|8.839123|17.656016|4.172946|3.657627|2.935703|2.671723|2.846592|3.494888|6.225234|0.113609|0.111981|0.117610|0.141146|0.119838|0.081549|0.073587|0.098168|0.054888|0.050383|0.044672|0.043962|0.050787|0.045341|0.050837|0.058215|0.143596|0.126471|0.109368|0.129968|0.213170|0.216354|0.500000| |4.724250|7.012493|0.224974|5.405209|8.555400|6.089057|3.496421|3.102947|2.576335|2.386989|2.553249|3.062572|14.004937|3.387521|3.393541|2.436204|1.690283|1.527001|1.578705|1.700922|12.395125|0.182011|7.067245|5.875347|9.621154|8.838071|17.625035|4.784642|3.790820|3.041735|2.879380|3.238850|4.201805|8.133206|0.127882|0.112143|0.114181|0.125329|0.089507|0.065691|0.064854|0.087524|0.049598|0.045516|0.040974|0.039876|0.045668|0.040818|0.044585|0.050424|0.212183|0.143871|0.131528|0.134245|0.215737|0.173540|0.299222|0.500000| |2.751958|3.096845|0.079646|2.911415|5.706219|3.326301|2.190967|2.213719|1.952353|1.755742|1.744777|1.922682|10.960602|2.590274|2.794720|1.948521|1.331301|1.247933|1.319306|1.421291|5.559331|0.121380|4.312906|6.259592|9.516177|6.310600|4.334757|8.897124|17.698315|8.954143|5.659558|4.950891|5.637192|7.492702|0.075116|0.066644|0.079233|0.063947|0.067840|0.053437|0.044640|0.052036|0.038010|0.035670|0.033344|0.033123|0.037766|0.035063|0.038240|0.042418|0.103571|0.106822|0.153554|0.206579|0.155084|0.208781|0.107088|0.104224|0.500000| |2.050778|2.233819|0.059286|2.125440|4.053503|2.545393|1.722699|1.742214|1.584661|1.452677|1.441668|1.556473|9.308562|2.222873|2.382565|1.665077|1.145961|1.083011|1.137154|1.216635|3.690137|0.077814|2.882093|3.721663|5.614103|3.728975|2.887705|5.634716|8.931434|17.740436|8.878713|5.634056|4.941522|6.514966|0.056871|0.051241|0.058416|0.049737|0.052261|0.043736|0.037454|0.042380|0.032505|0.030918|0.029023|0.028982|0.032331|0.030452|0.033028|0.035916|0.074141|0.074091|0.102850|0.110362|0.103119|0.110547|0.074063|0.074403|0.215809|0.500000| |1.837648|1.991177|0.054440|1.858928|3.429918|2.276308|1.538036|1.525853|1.398480|1.306478|1.314431|1.417931|8.425572|2.039914|2.134725|1.510101|1.050992|0.992104|1.030323|1.094093|3.200377|0.064809|2.545895|3.153810|4.908718|3.149718|2.546095|4.958219|5.662793|8.905091|17.727395|8.971054|5.660037|7.575108|0.051957|0.046402|0.051166|0.045363|0.044855|0.038252|0.034545|0.039166|0.029875|0.028542|0.026723|0.026599|0.029261|0.027567|0.029677|0.031998|0.068914|0.064988|0.091163|0.086214|0.090901|0.086060|0.064832|0.069049|0.124390|0.214232|0.500000| |2.005455|2.193472|0.061607|1.984867|3.559726|2.443043|1.623269|1.573855|1.431553|1.351103|1.382334|1.508663|8.638336|2.109625|2.159942|1.545625|1.083991|1.016432|1.047785|1.108579|3.519058|0.068417|2.867084|3.484562|5.706092|3.470822|2.863299|5.652157|4.954675|5.619664|8.878645|17.744300|8.963799|13.234238|0.057764|0.050503|0.054480|0.049524|0.045717|0.038616|0.036482|0.042288|0.031022|0.029518|0.027477|0.027158|0.029849|0.027875|0.029881|0.032315|0.081447|0.071264|0.102983|0.088253|0.102178|0.087915|0.070991|0.081523|0.107528|0.123646|0.214439|0.500000| |3.015491|3.478430|0.101304|2.902721|5.004842|3.472688|2.189688|2.050282|1.803461|1.695946|1.772806|2.004998|10.495460|2.558850|2.581525|1.865800|1.309343|1.210968|1.248203|1.323899|5.915481|0.104940|5.107622|6.029223|11.659386|5.994376|5.103642|7.984867|5.056769|4.206910|4.464709|6.078520|10.168414|35.698537|0.088791|0.073372|0.078475|0.071539|0.059415|0.047557|0.046304|0.057047|0.037967|0.035488|0.032749|0.032003|0.035885|0.032820|0.035207|0.038830|0.160363|0.113513|0.169172|0.128609|0.167572|0.128108|0.113260|0.161054|0.118211|0.094721|0.101514|0.151957|0.500000| 1801.265878 -10805.325741 4115.866125 -215.279261 -5103.473001 3299.967681 -1803.505320 2.001243 408B00000000004A 44B0783E2C8EA279 4431358B273E4FE8 429506AD76FBFFFE B8105563B39B6780 445EF8B8D4AB5C55