Version2.0 2020-02-03T20:08:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-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)CCN1[C@H](C(=C(C1=O)O)C(=O)c2ccc(c(c2)C)OCC=C)c3cccc(c3)[N+](=O)[O-] C06458079 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)c2ccc(c(c2)C)OCC=C)c3cccc(c3)[N+](=O)[O-] C01[X(C27H32N3O6)] 198 C1 604 C=CCOc1ccc(cc1C)C(=O)C1=C(O)C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])CC[NH+](CC)CC C=CCOc1ccc(cc1C)C(=O)C1=C(O)C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])CC[NH+](CC)CC CC[NH+](CC)CCN1[C@@H](c2cccc(c2)[N+]([O-])=O)C(=C(O)C1=O)C(=O)c3ccc(OCC=C)c(C)c3 InChIKey=GUWBIRFVMMTVQW-DEOSSOPVSA-O InChI=1S/C27H31N3O6/c1-5-15-36-22-12-11-20(16-18(22)4)25(31)23-24(19-9-8-10-21(17-19)30(34)35)29(27(33)26(23)32)14-13-28(6-2)7-3/h5,8-12,16-17,24,32H,1,6-7,13-15H2,2-4H3/p+1/t24-/m0/s1 InChI=1/C27H31N3O6/c1-5-15-36-22-12-11-20(16-18(22)4)25(31)23-24(19-9-8-10-21(17-19)30(34)35)29(27(33)26(23)32)14-13-28(6-2)7-3/h5,8-12,16-17,24,32H,1,6-7,13-15H2,2-4H3/p+1/t24-/m0/s1/fC27H32N3O6/h28H/q+1 CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)c2ccc(c(c2)C)OCC=C)c3cccc(c3)[N+](=O)[O-] C01[X(C27H32N3O6)] 198 C01 604 C=CCOc1ccc(cc1C)C(=O)C1=C(O)C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])CC[NH+](CC)CC C=CCOc1ccc(cc1C)C(=O)C1=C(O)C(=O)N([C@H]1c1cccc(c1)N(O)O)CC[NH](CC)CC CC[NH](CC)CCN1[C@@H](c2cccc(c2)N(O)O)C(=C(O)C1=O)C(=O)c3ccc(OCC=C)c(C)c3 InChIKey=DEMIDRRWWGHXPT-DEOSSOPVSA-N InChI=1S/C27H34N3O6/c1-5-15-36-22-12-11-20(16-18(22)4)25(31)23-24(19-9-8-10-21(17-19)30(34)35)29(27(33)26(23)32)14-13-28(6-2)7-3/h5,8-12,16-17,24,28,32,34-35H,1,6-7,13-15H2,2-4H3/t24-/m0/s1 InChI=1/C27H34N3O6/c1-5-15-36-22-12-11-20(16-18(22)4)25(31)23-24(19-9-8-10-21(17-19)30(34)35)29(27(33)26(23)32)14-13-28(6-2)7-3/h5,8-12,16-17,24,28,32,34-35H,1,6-7,13-15H2,2-4H3/t24-/m0/s1 3808.7811380967 -1653.2529622 1-A 26667.3699 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156.03 165.39 175.32 195.83 203.04 223.69 233.41 259.72 265.81 281.03 297.29 308.36 316.81 344.35 368.77 399.34 425.78 446.18 454.60 461.04 470.04 483.84 492.17 511.55 534.77 607.85 621.35 635.56 647.52 667.79 688.32 698.47 710.72 745.44 768.16 774.76 796.36 815.23 822.38 845.45 894.00 908.11 966.42 992.62 999.21 1052.67 1069.88 1101.82 1122.46 1155.45 1173.28 1198.17 1208.01 1216.26 1225.60 1249.78 1251.04 1270.94 1302.50 1322.36 1334.11 1336.20 1341.71 1386.34 1394.86 1466.38 1469.30 1503.41 1506.56 1512.08 1542.66 1554.09 1562.70 1570.28 1571.94 1572.22 1581.96 1584.30 1601.82 1614.07 1637.37 1641.84 1653.81 1673.83 1677.96 1692.96 1720.20 1722.78 1759.57 1764.22 1797.06 1807.79 1821.72 1846.70 1856.76 1870.23 1879.76 1915.19 1916.69 1918.50 1930.98 1971.29 1987.35 2012.91 2023.57 2028.26 2058.86 2060.73 2072.93 2074.08 2083.84 2086.72 2126.27 2134.25 2156.23 2183.21 2214.22 2214.74 2232.47 2259.77 2262.60 2267.79 2272.68 2276.82 2277.21 2295.83 2309.97 2317.79 2339.10 2341.89 2345.03 2347.95 2354.00 2355.02 2356.03 2358.05 2364.75 2381.78 2386.35 2387.52 2393.34 2393.81 2424.86 2553.30 2562.14 2591.26 2602.79 2690.66 2715.17 2746.10 2775.48 2851.65 4613.99 4629.28 4632.86 4636.93 4654.12 4686.40 4691.42 4714.57 4724.36 4727.72 4733.12 4737.59 4738.43 4745.35 4756.52 4762.77 4766.70 4797.10 4822.73 4831.74 4834.04 4848.80 4874.34 4890.24 4897.36 4899.62 4912.64 4918.42 4925.12 4939.59 5302.90 5759.82 0.606160 0.639869 0.640813 0.535345 -1652.646802 -1652.613093 -1652.612149 -1652.717617 3.537414D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)c2ccc(c(c2)C)OCC=C)c3cccc(c3)[N+](=O)[O-] C06458079 RHF 6-31G(d) (6D,10F) C1 494.229111 |X|Y|Z| 68.846576 33.494258 144.240832 69.286237 18 6 7 17 1 |36.858105| |12.532942|36.858105| |7.537264|12.565722|53.358707| |7.460553|9.282904|25.697594|0.500000| |5.952246|7.597712|17.167710|0.259010|36.858105| |4.412466|4.981259|10.292316|0.207952|12.523900|36.858105| |4.993742|7.626499|17.215123|0.258129|7.621809|5.981445|36.858105| |4.411487|5.899692|10.318954|0.210561|5.018064|4.497508|12.433420|36.858105| |3.387646|4.324621|6.870755|0.135166|3.873816|3.591706|7.784400|13.268829|53.358707| |3.087759|3.901644|5.589692|0.106828|3.275236|2.951760|5.696696|7.364989|17.615011|36.858105| |3.160092|4.119463|5.782374|0.105682|3.452691|3.019486|5.959352|6.460473|12.345521|17.562999|0.500000| |2.491661|3.000644|4.364586|0.085254|2.719168|2.557268|4.201856|5.095679|11.109707|12.506358|0.247297|36.858105| |2.410640|2.859623|4.338476|0.086762|2.738299|2.673012|4.179274|5.199787|11.368543|8.193570|0.173529|14.324170|36.858105| |2.820977|3.405093|5.470490|0.111459|3.332014|3.294820|5.585206|7.819727|19.197661|8.153344|0.172733|8.239706|12.784424|36.858105| |2.710839|3.177000|5.270114|0.111273|3.317493|3.466979|5.069358|6.643824|11.304483|5.437779|0.126631|5.521118|7.976351|15.906026|73.516695| |2.092370|2.414600|3.656376|0.074002|2.388427|2.392372|3.352819|3.965285|7.400854|5.244673|0.122804|7.866573|14.439440|7.912376|12.095753|73.516695| |2.192353|2.583586|3.623001|0.070458|2.320309|2.170723|3.297179|3.740872|6.915096|7.372048|0.185933|12.704932|7.325616|5.013730|6.904472|10.422483|36.858105| |2.246664|2.639819|3.576231|0.069193|2.273872|2.088282|3.177542|3.565874|6.218143|6.878321|0.183885|8.296868|5.345354|4.194013|5.930599|7.759451|15.858796|73.516695| |1.890240|2.183689|3.088167|0.060427|2.039513|1.945226|2.739417|3.009170|5.266191|4.827992|0.127893|7.290886|5.863595|4.082986|6.029805|10.150082|12.872448|14.459341|36.858105| |1.808960|2.086704|3.016132|0.059053|2.031503|1.971768|2.682886|2.884261|4.997071|4.218251|0.113695|6.124257|5.796412|4.074836|6.232496|11.266474|7.544159|9.497815|13.780459|36.858105| |1.601314|1.817566|2.614178|0.051427|1.791979|1.754798|2.263476|2.393735|3.960833|3.227919|0.088108|4.245682|4.176513|3.205249|5.141112|8.418181|5.029901|7.187363|7.918548|13.740143|36.858105| |1.491752|1.674904|2.370076|0.046757|1.623419|1.580758|2.014858|2.134592|3.458336|2.855057|0.077981|3.614027|3.443304|2.727238|4.395027|6.713164|4.473026|6.846044|6.847758|7.937949|13.740676|36.858105| |1.533888|1.720623|2.399092|0.047324|1.623818|1.563194|2.032980|2.177734|3.532185|3.014345|0.081898|3.798699|3.440763|2.718995|4.305872|6.417678|5.081172|8.145668|7.841357|6.814642|7.844971|13.528755|36.858105| |1.713467|1.944243|2.700460|0.053090|1.797665|1.712866|2.323279|2.528761|4.212270|3.773729|0.101340|4.977044|4.200259|3.196163|4.895102|7.462944|7.729001|12.090875|13.581693|7.956200|6.901260|7.991029|13.878655|36.858105| |1.402240|1.552211|2.140326|0.042370|1.455802|1.400516|1.778580|1.895458|2.991576|2.519133|0.068721|3.007217|2.750917|2.270341|3.653893|5.075421|3.823510|6.587499|4.983904|4.426296|5.007876|7.545402|12.628245|7.553423|36.858105| |1.351923|1.501845|2.120835|0.041975|1.468268|1.437830|1.774808|1.862713|2.946562|2.379673|0.065313|2.888202|2.806934|2.314761|3.813496|5.478973|3.406896|5.430629|4.627553|5.219635|7.919571|14.249806|8.216027|5.336728|6.974201|73.516695| |1.294176|1.433582|2.041808|0.040461|1.429758|1.413865|1.701709|1.767866|2.767697|2.180288|0.060073|2.604871|2.604617|2.194798|3.684512|5.157487|2.929169|4.651792|3.780842|4.506823|6.703719|7.959760|5.228494|3.989929|4.606456|23.971695|36.858105| |1.177146|1.291558|1.827880|0.036316|1.286635|1.273389|1.502133|1.554097|2.390835|1.872283|0.051689|2.176990|2.170244|1.875312|3.176720|4.229955|2.422934|3.958051|2.983474|3.351532|4.422420|5.252607|4.101384|3.218013|4.058272|14.406959|12.719717|36.858105| |1.112066|1.212253|1.720018|0.034345|1.214765|1.210520|1.403937|1.454616|2.218325|1.713392|0.047025|1.973412|1.996313|1.748809|3.000366|3.919280|2.149480|3.520196|2.578130|2.876505|3.627753|4.071587|3.336253|2.733000|3.330164|9.824497|7.665196|14.465851|36.858105| |3.232167|3.943598|5.217003|0.102275|3.004152|2.672583|4.750244|6.246321|10.543113|12.516532|0.249192|7.327949|5.513736|5.574665|7.553505|7.231845|5.907624|11.637331|4.060043|3.425563|2.755719|2.550236|2.776637|3.460400|2.408698|3.848155|1.965775|1.720959|1.583965|36.858105| |2.834721|3.253643|4.342412|0.088445|2.572199|2.361348|3.742885|4.938781|7.969938|7.434405|0.155922|6.184376|5.104720|4.953702|7.074034|7.143173|5.355181|10.367699|3.894663|3.250421|2.668523|2.519635|2.782277|3.451830|2.450950|3.824724|1.940815|1.709806|1.584214|13.676918|36.858105| |2.779518|3.054924|3.926884|0.080873|2.353908|2.154915|3.189088|3.995046|5.816664|4.976868|0.116897|4.287270|3.735434|3.715302|5.663361|5.590475|4.014038|8.004460|3.153275|2.678003|2.282741|2.205998|2.447979|2.945966|2.233249|3.422121|1.741302|1.560299|1.454765|7.891311|13.777153|36.858105| |3.085382|3.343988|4.071664|0.082956|2.429184|2.171863|3.187496|3.806242|5.210552|4.406646|0.111034|3.627870|3.157841|3.226055|4.996682|4.755099|3.447804|7.018530|2.758748|2.380601|2.055702|1.992731|2.197976|2.602227|2.030802|3.125540|1.601046|1.446303|1.348569|6.792869|7.914242|13.724675|36.858105| |3.636613|4.129654|4.790660|0.094595|2.792210|2.414537|3.765110|4.355379|5.811313|5.053709|0.134258|3.841436|3.264080|3.401152|5.185526|4.799826|3.593606|7.394716|2.820924|2.451191|2.097360|2.009457|2.196746|2.608717|2.007128|3.140173|1.616017|1.453674|1.349136|7.967255|6.964265|8.043990|13.829817|36.858105| |3.739927|4.632952|5.571658|0.106534|3.164845|2.704187|4.752611|5.603888|7.878537|7.648295|0.206439|5.021265|4.048306|4.245620|6.164445|5.663641|4.470387|9.180379|3.320837|2.870055|2.387406|2.241553|2.434144|2.948288|2.165956|3.447805|1.773724|1.574162|1.451746|13.799382|7.985220|6.890398|7.877027|13.760342|36.858105| |3.962294|4.299329|4.656263|0.090913|2.778122|2.355997|3.436544|3.681231|4.697470|3.873721|0.108881|3.063925|2.678241|2.816864|4.429092|4.044170|2.916505|5.900372|2.388477|2.122025|1.852501|1.783924|1.932447|2.241059|1.791371|2.828172|1.467896|1.333541|1.241349|5.138505|4.547589|5.139172|7.778102|13.081950|7.817692|53.358707| |3.410155|3.504979|3.906723|0.077552|2.407997|2.084111|2.845186|3.038752|3.924046|3.190653|0.088729|2.650639|2.351494|2.440299|3.901804|3.631369|2.578532|5.202816|2.165155|1.927743|1.707723|1.663957|1.809026|2.073181|1.703575|2.662527|1.381511|1.265650|1.182068|4.094215|3.898536|4.638181|6.988791|8.387451|5.464220|21.866904|73.516695| |4.788244|5.363517|5.366784|0.101467|3.183990|2.605067|3.836336|3.868583|4.770004|3.835892|0.112344|2.984194|2.630677|2.818857|4.456360|3.962424|2.798865|5.553706|2.309322|2.086516|1.822546|1.739067|1.860246|2.141580|1.714667|2.762841|1.445380|1.311894|1.220980|4.710355|3.944799|4.128828|5.456874|8.386118|7.098027|21.551560|16.000498|73.516695| |17.550396|8.793937|9.285558|0.218836|5.211555|4.247873|4.757505|4.570141|4.686210|3.071459|0.084660|2.496054|2.448624|2.900762|5.022572|3.791744|2.176936|3.943863|1.877271|1.794911|1.588931|1.481220|1.524015|1.702593|1.394163|2.387008|1.284905|1.169068|1.108018|3.265764|2.945097|2.917419|3.205618|3.653902|3.681153|5.247406|5.988000|7.806823|0.500000| |17.592530|8.982644|7.534288|0.148552|4.606961|3.560313|4.165736|3.812530|4.184006|2.918586|0.083503|2.369142|2.255743|2.571046|4.340467|3.493711|2.128393|3.939399|1.835822|1.740856|1.547281|1.454218|1.506160|1.682598|1.386930|2.347737|1.258970|1.149573|1.084705|3.145929|2.779178|2.795015|3.204701|3.823713|3.764435|6.065926|6.895737|9.945650|0.302631|0.500000| |17.593366|8.713684|9.101613|0.183572|6.374787|4.748182|4.430563|3.792776|4.076476|2.719913|0.077791|2.254452|2.206138|2.566508|4.461564|3.455718|1.998448|3.611734|1.750672|1.694103|1.512990|1.408689|1.438377|1.591641|1.318463|2.283608|1.237629|1.129606|1.070132|2.774846|2.463308|2.405865|2.625232|3.023021|3.124394|4.451006|5.149549|6.877062|0.300150|0.302473|0.500000| |8.770402|17.624429|12.390289|0.182928|7.391258|4.678931|6.646588|4.894371|5.310909|3.673933|0.112510|2.874611|2.703191|3.125612|5.151868|4.086694|2.529608|4.621542|2.156005|2.067178|1.808754|1.668640|1.711249|1.926229|1.545962|2.665580|1.433271|1.292876|1.209826|3.629532|2.971406|2.785625|3.056118|3.799711|4.300382|5.530801|5.945397|9.297574|0.172171|0.211833|0.208730|0.500000| |8.891473|17.685575|12.301103|0.210584|5.615924|4.130643|7.555006|6.757200|6.736107|4.617764|0.134130|3.380759|3.139206|3.716003|5.958600|4.614100|2.892054|5.338661|2.383914|2.235933|1.926058|1.780077|1.848758|2.117481|1.663327|2.815905|1.498212|1.345230|1.258290|4.933604|3.918722|3.668309|4.108273|5.373587|6.205637|7.441732|7.450911|12.358214|0.211526|0.217937|0.172736|0.303059|0.500000| |6.914821|7.542454|12.364390|0.212659|17.666353|8.866482|5.632396|4.151787|4.473014|2.878842|0.084085|2.413118|2.406007|2.853170|5.039500|3.773048|2.103625|3.711669|1.860079|1.840976|1.639861|1.501531|1.508800|1.662496|1.365985|2.429643|1.329890|1.205505|1.140608|2.733113|2.376130|2.224855|2.334596|2.678208|2.943039|3.737471|4.282778|5.658758|0.158274|0.145770|0.237529|0.210840|0.148192|0.500000| |4.957961|6.636049|12.409475|0.183142|17.623317|8.760440|7.397307|4.680775|5.230706|3.349539|0.101568|2.793476|2.774803|3.299369|5.720203|4.293595|2.406051|4.190117|2.121091|2.123337|1.870840|1.688065|1.683027|1.862470|1.503316|2.709786|1.485955|1.333661|1.253495|2.997699|2.526087|2.291387|2.363281|2.742958|3.165046|3.717407|4.196844|5.604075|0.118598|0.114355|0.143723|0.206514|0.144624|0.302473|0.500000| |3.809919|4.144398|7.538320|0.148614|8.946059|17.590210|4.631142|3.615385|4.134954|2.582784|0.074078|2.286151|2.378925|2.839504|5.296975|3.850144|1.979857|3.392663|1.800293|1.836540|1.654255|1.495082|1.471891|1.598071|1.325457|2.435630|1.355147|1.226713|1.168746|2.349532|2.094297|1.927871|1.948724|2.154889|2.386727|2.895168|3.385202|4.177400|0.100355|0.088380|0.117517|0.113491|0.096663|0.215080|0.211941|0.500000| |3.798871|4.440679|9.185897|0.185297|8.718599|17.592819|6.449972|4.898682|5.455886|3.187744|0.089865|2.800549|2.997368|3.784496|7.272243|4.775272|2.334983|3.926216|2.098515|2.153890|1.905521|1.696243|1.664320|1.824970|1.477756|2.731185|1.515825|1.355805|1.288174|2.791609|2.462801|2.205589|2.182729|2.410146|2.745552|3.130904|3.609725|4.458473|0.103525|0.087583|0.108387|0.115996|0.108056|0.172511|0.207754|0.302871|0.500000| |4.546849|4.738703|9.275227|0.218584|8.796446|17.556346|5.209358|4.321413|4.624490|2.784028|0.077381|2.422730|2.548931|3.151395|5.996231|4.086769|2.060189|3.534774|1.847501|1.862066|1.663661|1.508273|1.497041|1.638256|1.348436|2.446133|1.351196|1.221806|1.166298|2.585857|2.332160|2.155030|2.170903|2.379651|2.611752|3.163001|3.685644|4.518049|0.128277|0.100529|0.137148|0.117951|0.110598|0.212326|0.172136|0.302659|0.300340|0.500000| |4.123479|5.631195|12.281350|0.207655|7.569449|6.891736|17.667037|8.860807|9.393591|4.995609|0.144518|4.027111|4.205415|5.689289|9.772455|6.164758|3.161725|5.272404|2.706778|2.732297|2.318154|2.035490|2.018856|2.278806|1.757081|3.197954|1.744640|1.534884|1.437890|4.006587|3.288348|2.803015|2.749542|3.143846|3.859497|3.928098|4.364411|5.627097|0.110265|0.096839|0.107418|0.145793|0.148311|0.148532|0.214196|0.146648|0.237607|0.155886|0.500000| |4.728137|7.519473|12.417205|0.183569|6.529028|4.895935|17.631999|8.731218|9.672179|6.145706|0.201734|4.375854|4.090783|5.024247|7.723273|5.787440|3.529016|6.167971|2.890946|2.797996|2.346685|2.094606|2.127233|2.449367|1.857251|3.264668|1.750241|1.542384|1.431042|5.033951|3.777555|3.213723|3.273065|4.012120|5.287662|5.038870|5.354090|7.547765|0.119381|0.115129|0.116202|0.207887|0.217801|0.143287|0.200588|0.113032|0.142105|0.117470|0.302179|0.500000| |4.967622|6.529919|9.614632|0.202114|4.570667|3.958894|8.778066|17.607835|12.540429|6.889851|0.167087|4.658606|4.497604|5.979147|9.121450|6.236991|3.594312|6.352112|2.861449|2.672081|2.239175|2.035806|2.111015|2.461342|1.861409|3.170355|1.679329|1.487742|1.393090|7.200004|5.659845|4.728872|4.654185|5.474556|6.964689|6.113105|6.403327|8.288035|0.146956|0.121401|0.112545|0.142754|0.235432|0.111116|0.116896|0.090335|0.113459|0.108838|0.173672|0.203818|0.500000| |4.102447|5.016524|9.165896|0.214005|4.806560|4.724701|8.858155|17.602380|12.711253|5.589824|0.135257|4.421516|4.869032|7.662431|13.833156|6.971806|3.311414|5.525845|2.763534|2.700188|2.277310|2.029959|2.050703|2.344375|1.794287|3.177680|1.711249|1.509858|1.424731|4.936031|4.330977|3.617826|3.386946|3.682325|4.397044|4.326685|4.820187|5.848545|0.123151|0.097236|0.100841|0.115622|0.148852|0.111113|0.119590|0.103905|0.146655|0.132077|0.218962|0.173074|0.302018|0.500000| |2.093934|2.396212|3.697051|0.075873|2.433016|2.492362|3.358667|3.980233|7.090141|4.611917|0.109386|6.042642|10.214397|8.053528|14.607703|35.476920|4.585666|6.466855|4.446051|4.949687|4.002477|3.263672|3.090949|3.477157|2.523220|4.907486|2.662099|2.220419|2.089723|3.678300|3.653318|2.931803|2.518816|2.537170|2.952689|2.944835|3.465212|3.789836|0.059725|0.054169|0.054352|0.062906|0.070693|0.059838|0.067648|0.062525|0.078645|0.066979|0.098438|0.088142|0.096320|0.114221|0.500000| |1.916283|2.233205|3.296295|0.064358|2.225704|2.177321|2.995247|3.200901|5.665336|4.586420|0.123766|6.717269|6.965542|4.801100|7.310893|13.738608|6.862852|8.666390|8.894278|17.772814|8.999551|5.669863|4.926261|5.639016|3.544026|7.500058|3.922599|2.999840|2.640515|3.527466|3.266188|2.658906|2.374517|2.474693|2.942141|2.921005|3.435100|3.794820|0.052784|0.050709|0.049954|0.061348|0.066048|0.055343|0.064862|0.056106|0.067038|0.056693|0.086492|0.086156|0.080182|0.083465|0.165786|0.500000| |1.543755|1.745970|2.535058|0.049943|1.760552|1.743466|2.183645|2.279914|3.713804|2.924445|0.080293|3.715964|3.815342|3.040936|5.011966|7.864285|4.099302|6.005129|5.655502|8.961604|17.774994|8.882424|5.595138|4.971316|4.080947|12.573769|7.453509|4.709376|3.916056|2.489512|2.401126|2.072737|1.882624|1.926662|2.183470|2.341332|2.823519|3.031477|0.042537|0.041264|0.040799|0.048344|0.050865|0.044702|0.051130|0.045936|0.052843|0.045827|0.063025|0.062421|0.058743|0.060923|0.108320|0.218937|0.500000| |1.736790|1.961477|2.681269|0.052770|1.771109|1.673053|2.283075|2.500298|4.106193|3.752082|0.100490|4.688013|3.849304|3.028566|4.627136|6.594590|7.261102|13.526457|8.927479|5.670375|4.968957|5.665715|8.996332|17.742951|6.995548|7.639787|3.329921|2.817479|2.437714|3.636320|3.701939|3.220329|2.840467|2.812975|3.127429|3.265439|3.971999|4.014310|0.047971|0.047764|0.044574|0.053902|0.059870|0.045797|0.050768|0.043288|0.049090|0.044643|0.061272|0.067117|0.068945|0.063998|0.087063|0.124223|0.107877|0.500000| |1.345684|1.487685|2.047314|0.040379|1.404443|1.349879|1.692141|1.777750|2.776070|2.321330|0.064365|2.712756|2.489088|2.092003|3.387596|4.560851|3.376981|5.880923|4.275990|3.969987|4.596672|6.725212|8.853505|5.888946|17.568367|12.454473|4.743369|4.358176|3.469352|2.210787|2.214783|2.032729|1.879067|1.876543|2.022202|2.311135|2.876382|2.911470|0.036993|0.037032|0.035300|0.041432|0.044031|0.036701|0.040468|0.035676|0.039473|0.035999|0.046582|0.049297|0.048421|0.046711|0.063722|0.090526|0.108140|0.152423|0.500000| |1.430163|1.579325|2.156082|0.042701|1.457060|1.392633|1.783696|1.910690|3.001677|2.560781|0.069701|3.004367|2.695423|2.243957|3.589308|4.859977|3.867538|6.985237|4.734630|3.966486|4.167565|5.568290|8.886157|7.264210|17.588573|8.914009|3.657403|3.304260|2.812428|2.512281|2.584378|2.385603|2.170529|2.127556|2.271256|2.577190|3.219467|3.190888|0.039520|0.039505|0.037200|0.043639|0.047302|0.038113|0.041688|0.036527|0.040610|0.037343|0.048469|0.051882|0.052707|0.050005|0.067213|0.090300|0.095812|0.223036|0.301092|0.500000| |1.331674|1.463652|2.026520|0.040367|1.381956|1.339546|1.674368|1.791914|2.808871|2.318649|0.062576|2.757308|2.592822|2.157384|3.519535|4.887426|3.367443|5.723973|4.281462|3.972476|4.594062|6.723601|8.853345|5.882680|17.569284|12.458051|4.733136|4.336459|3.639485|2.226569|2.297903|2.110017|1.909553|1.868882|1.999454|2.275305|2.839863|2.841254|0.036948|0.036523|0.034866|0.040317|0.043412|0.036071|0.039444|0.035259|0.039283|0.035985|0.046113|0.048108|0.048855|0.047605|0.068318|0.090517|0.107996|0.151869|0.303315|0.300929|0.500000| |1.306962|1.446138|2.075973|0.041341|1.452556|1.447948|1.734111|1.814233|2.848431|2.211178|0.060216|2.665754|2.737738|2.299698|3.902028|5.589252|2.924213|4.569448|3.744600|4.594028|6.752226|7.035284|4.747108|3.804819|4.079591|16.473077|17.571217|8.905989|7.264109|1.982733|1.970010|1.759406|1.606059|1.614423|1.773783|1.987667|2.439604|2.554950|0.036199|0.035168|0.034729|0.039947|0.041933|0.037421|0.041754|0.038480|0.043335|0.038537|0.049643|0.049099|0.047626|0.049191|0.080826|0.113890|0.225628|0.088263|0.111071|0.092677|0.119196|0.500000| |1.323832|1.473810|2.104459|0.041466|1.482631|1.464320|1.759622|1.805506|2.824942|2.223670|0.062105|2.638911|2.627492|2.228723|3.734702|5.133475|2.948986|4.676327|3.769897|4.627921|6.830337|7.115082|4.788592|3.836794|4.105434|16.563118|17.538644|8.923607|6.044859|1.980025|1.924492|1.720074|1.593488|1.625483|1.796987|2.018600|2.470984|2.614865|0.036336|0.035722|0.035249|0.041160|0.042629|0.038223|0.043094|0.039104|0.043690|0.038636|0.050383|0.050548|0.047382|0.048345|0.073703|0.114650|0.228473|0.088976|0.120135|0.093216|0.111411|0.300286|0.500000| |1.155099|1.266161|1.779783|0.035262|1.253745|1.233790|1.456869|1.500206|2.297107|1.813180|0.050426|2.085083|2.047099|1.779235|2.998204|3.915989|2.345481|3.895737|2.858922|3.122861|3.994393|4.862243|4.022311|3.147864|4.184965|12.869234|8.702946|17.690080|9.146706|1.679068|1.662954|1.526896|1.424939|1.435343|1.548921|1.801107|2.238955|2.314499|0.031775|0.031455|0.030793|0.035338|0.036650|0.032739|0.036177|0.033068|0.036323|0.032855|0.041166|0.041782|0.040088|0.040290|0.056964|0.077378|0.113964|0.077792|0.132323|0.094889|0.121593|0.172216|0.205511|0.500000| |1.122531|1.222770|1.745043|0.034963|1.232564|1.235752|1.426093|1.483323|2.263963|1.731304|0.047206|2.002271|2.057466|1.804089|3.120876|4.103020|2.148974|3.485514|2.566729|2.903271|3.638054|3.914982|3.186265|2.665672|3.091129|8.924189|6.944669|9.084691|17.694493|1.594253|1.599836|1.464583|1.351528|1.349136|1.453506|1.684953|2.092418|2.164920|0.031159|0.030315|0.030021|0.033778|0.035213|0.032081|0.035228|0.033113|0.036655|0.033132|0.040730|0.040136|0.039318|0.040599|0.061277|0.075027|0.111583|0.065842|0.086762|0.073395|0.094068|0.217799|0.154059|0.173348|0.500000| |1.048796|1.137764|1.608073|0.032134|1.138797|1.134279|1.303155|1.346216|2.035353|1.569600|0.043174|1.784205|1.797608|1.593068|2.740093|3.490267|1.936789|3.211718|2.279433|2.492007|3.038043|3.397249|2.912733|2.427570|2.994197|7.842299|5.493223|9.113868|17.725778|1.463708|1.465921|1.357543|1.265218|1.264320|1.351738|1.592480|1.989146|2.045853|0.029018|0.028483|0.028087|0.031576|0.032747|0.029823|0.032609|0.030504|0.033390|0.030411|0.036994|0.036899|0.035960|0.036655|0.051974|0.064040|0.089512|0.061272|0.087693|0.071697|0.090838|0.143213|0.130268|0.218034|0.289339|0.500000| |2.540054|2.886871|3.985516|0.081933|2.413151|2.270312|3.465761|4.572256|7.787029|6.850362|0.140745|6.848712|5.965595|5.400175|7.702014|8.483079|5.802819|10.305041|4.300384|3.577191|2.910456|2.733342|3.012640|3.759033|2.617231|4.113180|2.079594|1.818271|1.687689|8.896043|17.736083|8.964581|5.647464|5.000802|5.666607|4.926938|5.700884|5.760056|0.073598|0.068426|0.062432|0.073695|0.093369|0.061577|0.065889|0.056162|0.066662|0.062389|0.087549|0.095395|0.135961|0.116665|0.118599|0.099377|0.072307|0.110212|0.064738|0.076075|0.068821|0.059220|0.056779|0.048729|0.047620|0.043152|0.500000| 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