Version2.0 2020-02-05T00:25:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCCN1[C@H](C(=C(C1=O)[O-])C(=O)c2cnn(c2C)c3ccccc3)c4ccccc4F C29501362 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCCN1[C@H](C(=C(C1=O)[O-])C(=O)c2cnn(c2C)c3ccccc3)c4ccccc4F C01[X(C28H31F1N4O3)] 195 C1 602 CC[NH+](CCCN1C(=O)C(=C([C@@H]1c1ccccc1F)C(=O)c1cnn(c1C)c1ccccc1)[O-])CC CC[NH+](CCCN1C(=O)C(=C([C@@H]1c1ccccc1F)C(=O)c1cnn(c1C)c1ccccc1)[O-])CC CC[NH+](CC)CCCN1[C@@H](c2ccccc2F)C(=C([O-])C1=O)C(=O)c3cnn(c3C)c4ccccc4 InChIKey=GYBALUIIVDEVJE-VWLOTQADSA-N InChI=1S/C28H31FN4O3/c1-4-31(5-2)16-11-17-32-25(21-14-9-10-15-23(21)29)24(27(35)28(32)36)26(34)22-18-30-33(19(22)3)20-12-7-6-8-13-20/h6-10,12-15,18,25,35H,4-5,11,16-17H2,1-3H3/t25-/m0/s1 InChI=1/C28H31FN4O3/c1-4-31(5-2)16-11-17-32-25(21-14-9-10-15-23(21)29)24(27(35)28(32)36)26(34)22-18-30-33(19(22)3)20-12-7-6-8-13-20/h6-10,12-15,18,25,35H,4-5,11,16-17H2,1-3H3/t25-/m0/s1/f/h35h,31H CC[NH+](CC)CCCN1[C@H](C(=C(C1=O)[O-])C(=O)c2cnn(c2C)c3ccccc3)c4ccccc4F C01[X(C28H31F1N4O3)] 195 C01 602 CC[NH+](CCCN1C(=O)C(=C([C@@H]1c1ccccc1F)C(=O)c1cnn(c1C)c1ccccc1)[O-])CC CC[NH](CCCN1[C@@H](O)C(=O)[C@@H]([C@@H]1c1ccccc1F)C(=O)[C@@H]1CNN([C@@H]1C)c1ccccc1)CC CC[NH](CC)CCCN1[C@@H](O)C(=O)[C@@H]([C@@H]1c2ccccc2F)C(=O)[C@@H]3CNN([C@@H]3C)c4ccccc4 InChIKey=QNCNEBIHQXEIDK-ACIAGFKZSA-N InChI=1S/C28H38FN4O3/c1-4-31(5-2)16-11-17-32-25(21-14-9-10-15-23(21)29)24(27(35)28(32)36)26(34)22-18-30-33(19(22)3)20-12-7-6-8-13-20/h6-10,12-15,19,22,24-25,28,30-31,36H,4-5,11,16-18H2,1-3H3/t19-,22-,24+,25+,28+/m1/s1 InChI=1/C28H38FN4O3/c1-4-31(5-2)16-11-17-32-25(21-14-9-10-15-23(21)29)24(27(35)28(32)36)26(34)22-18-30-33(19(22)3)20-12-7-6-8-13-20/h6-10,12-15,19,22,24-25,28,30-31,36H,4-5,11,16-18H2,1-3H3/t19-,22-,24+,25+,28+/m1/s1 3917.8504193131 -1620.107648 1-A 21705.4084 130 472 602 |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| -26.30556 -20.53792 -20.46067 -20.45178 -15.70963 -15.61672 -15.59358 -15.55223 -11.33423 -11.33415 -11.33160 -11.33062 -11.31360 -11.29246 -11.27571 -11.26622 -11.26588 -11.26580 -11.26531 -11.26429 -11.25689 -11.25087 -11.23521 -11.23106 -11.22947 -11.22664 -11.22521 -11.22370 -11.22363 -11.22349 -11.22173 -11.22170 -11.21966 -11.19770 -11.17881 -11.14662 -1.62016 -1.39842 -1.36416 -1.36178 -1.30949 -1.29369 -1.27141 -1.15987 -1.15634 -1.12160 -1.10479 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750.18 765.95 778.53 799.78 826.71 864.00 870.94 879.08 905.24 969.10 974.81 1023.81 1050.69 1077.57 1094.42 1114.58 1124.44 1162.31 1179.28 1206.51 1235.27 1240.21 1242.81 1251.52 1259.93 1277.60 1287.79 1304.18 1329.17 1345.59 1360.15 1369.28 1415.22 1426.64 1470.92 1479.24 1483.26 1497.64 1524.41 1565.01 1570.51 1583.29 1601.46 1604.07 1611.79 1612.06 1612.78 1620.82 1635.93 1647.57 1651.92 1694.17 1697.38 1701.93 1714.28 1717.98 1729.98 1741.60 1744.44 1800.79 1805.06 1816.98 1845.99 1859.07 1864.45 1879.82 1892.11 1901.05 1904.91 1921.76 1944.00 1958.44 1982.39 1993.98 2025.63 2040.16 2053.45 2060.65 2113.56 2121.96 2134.89 2160.78 2171.03 2181.75 2189.17 2211.70 2216.49 2236.22 2243.06 2245.45 2255.03 2277.26 2285.33 2328.43 2335.31 2345.66 2346.09 2349.90 2356.40 2358.34 2363.83 2369.84 2370.11 2377.30 2381.63 2385.65 2385.92 2393.83 2401.47 2428.73 2450.17 2515.77 2532.91 2572.66 2578.82 2605.95 2612.48 2622.38 2653.57 2795.59 4389.79 4622.61 4635.41 4645.96 4647.55 4652.75 4678.65 4687.65 4691.61 4708.84 4709.81 4737.83 4739.50 4745.29 4759.10 4771.44 4773.73 4785.13 4803.31 4823.69 4827.60 4831.02 4839.75 4849.03 4863.94 4869.17 4886.67 4892.76 4893.08 4907.28 4939.73 0.595409 0.626987 0.627931 0.527833 -1619.512239 -1619.480661 -1619.479717 -1619.579815 3.357303D-04 MUNgauss RevisionA2.0 retrievium 05-Feb-2020 DUDE CC[NH+](CC)CCCN1[C@H](C(=C(C1=O)[O-])C(=O)c2cnn(c2C)c3ccccc3)c4ccccc4F C29501362 RHF 6-31G(d) (6D,10F) C1 490.238019 |X|Y|Z| 51.344116 43.612246 131.022729 66.448002 23 6 7 20 3 |36.858105| |12.502905|36.858105| |7.523898|12.711497|53.358707| |7.203195|9.336433|24.947106|0.500000| |6.262026|7.664729|17.322393|0.258001|36.858105| |4.346439|4.943739|10.254371|0.197333|12.516677|36.858105| |4.944119|7.672675|17.224099|0.255710|7.602467|6.244425|36.858105| |3.915946|5.176116|10.184306|0.212559|5.478387|5.535178|12.447038|36.858105| |3.882330|4.822155|8.167708|0.194959|4.337228|4.228707|7.317059|12.267788|36.858105| |3.629600|4.101704|6.889115|0.178392|4.010875|4.143354|5.261166|7.591099|13.217708|53.358707| |2.847584|3.114273|4.997199|0.120342|3.140921|3.358970|3.880761|5.330277|7.390830|17.593209|36.858105| |2.635452|2.934542|4.793120|0.111381|3.082897|3.396108|3.890790|5.572376|6.801516|12.532470|17.610954|0.500000| |2.748490|2.862907|4.542854|0.110718|2.997884|3.269933|3.302581|4.155518|5.103504|11.132206|12.557562|0.241950|36.858105| |3.251310|3.278956|5.248849|0.134379|3.479218|3.760455|3.562416|4.264547|5.109835|11.098246|7.915479|0.167794|13.567111|36.858105| |4.125679|4.363967|7.373568|0.209550|4.446722|4.593812|4.889173|6.026738|7.837987|19.530501|8.156424|0.174443|8.185957|12.411827|36.858105| |5.524372|5.664432|9.815942|0.330123|5.668700|5.389280|5.537216|5.924629|6.805986|11.493318|5.425414|0.128278|5.418378|7.701547|15.522805|73.516695| |3.202944|3.083481|4.811427|0.120764|3.339444|3.600333|3.144862|3.542378|3.999543|7.520842|5.280502|0.122661|7.857200|15.765085|8.033339|11.841747|73.516695| |2.293938|2.355578|3.640526|0.085438|2.479885|2.713775|2.660737|3.223096|3.743460|6.948543|7.272521|0.175729|13.199880|7.558680|5.098375|6.932606|10.875880|36.858105| |2.178914|2.184920|3.317853|0.077387|2.301216|2.501029|2.370874|2.764802|3.140544|5.575212|5.127110|0.126175|8.134093|6.510440|4.355760|6.274296|11.080370|15.735574|73.516695| |2.022600|2.113458|3.250118|0.074145|2.221269|2.434899|2.456786|3.000666|3.407057|5.847660|6.262973|0.175547|7.535967|4.958806|3.965171|5.635757|7.416845|12.687164|14.532056|36.858105| |1.961775|2.090910|3.259638|0.073087|2.241658|2.496479|2.537235|3.161822|3.449226|5.634659|5.873326|0.194135|5.935334|4.214698|3.667714|5.317812|6.312072|7.223760|9.446710|13.465389|36.858105| |1.742553|1.853761|2.839316|0.062595|1.963268|2.159421|2.220888|2.696895|2.903465|4.505520|4.369836|0.139271|4.299409|3.298244|2.958500|4.442428|5.127069|5.139347|7.511765|8.456803|14.698029|53.358707| |1.666682|1.748368|2.632980|0.058263|1.816600|1.967693|2.024986|2.407284|2.646296|4.137838|3.967704|0.117198|4.091180|3.169417|2.778455|4.193873|5.021415|5.223642|8.053159|8.718422|9.081967|19.278899|53.358707| |1.791688|1.858719|2.796107|0.062830|1.919532|2.071671|2.112408|2.509110|2.826168|4.602121|4.536475|0.126024|5.080041|3.784203|3.152910|4.668909|5.972831|7.416775|11.386353|13.875916|8.683189|11.582405|19.161681|36.858105| |1.696138|1.730907|2.553961|0.057304|1.757084|1.866958|1.897998|2.194647|2.481998|3.991660|3.704061|0.098324|4.237894|3.399010|2.822708|4.276713|5.598243|5.911238|10.801033|7.332003|5.185242|7.066229|10.296997|12.709803|36.858105| |1.488855|1.556955|2.313761|0.050601|1.604831|1.722421|1.779789|2.072052|2.249887|3.409521|3.105457|0.090790|3.150925|2.574473|2.311418|3.578171|4.176308|3.811668|6.239207|5.324742|5.543704|10.913849|18.292237|7.611323|6.167996|36.858105| |1.385702|1.448863|2.155875|0.046749|1.514570|1.636096|1.659401|1.912397|2.026169|3.026924|2.675268|0.079280|2.721143|2.288246|2.074296|3.260047|3.767933|3.211308|5.361841|4.233109|4.650871|8.916020|10.720215|5.315757|4.528106|13.723974|36.858105| |1.264176|1.318092|1.941821|0.041820|1.367369|1.464718|1.492448|1.695063|1.787772|2.628907|2.265347|0.066378|2.287871|1.972139|1.811774|2.888110|3.283066|2.631464|4.476343|3.272952|3.492752|6.123291|7.034175|3.973534|3.687360|7.948187|13.776119|36.858105| |1.229096|1.278363|1.865475|0.040160|1.305305|1.382982|1.431270|1.616031|1.722841|2.519930|2.158973|0.062289|2.165846|1.877636|1.734825|2.774400|3.128593|2.468808|4.224800|3.005934|3.095810|5.218405|6.186497|3.690982|3.626264|6.867671|7.925448|13.734515|36.858105| |1.299554|1.351023|1.965430|0.042533|1.362109|1.434388|1.506809|1.709532|1.854673|2.728866|2.367580|0.067457|2.365191|2.026752|1.866945|2.963251|3.351331|2.713021|4.616648|3.332227|3.323764|5.549394|7.004848|4.254795|4.319910|7.943476|6.875840|7.954784|13.766737|36.858105| |1.433484|1.493964|2.189808|0.047784|1.508210|1.594858|1.680631|1.935172|2.127647|3.185761|2.851990|0.081250|2.856086|2.375913|2.159821|3.371336|3.872883|3.364284|5.607083|4.367121|4.277753|7.389010|10.638541|6.057337|5.888615|13.751560|7.928736|6.880771|7.928944|13.742807|36.858105| |2.580834|2.805922|4.246041|0.098724|2.648536|2.723024|3.331243|4.293992|6.082689|10.516252|12.447681|0.249322|7.381383|5.402100|5.550450|7.497842|7.264788|5.838699|7.903603|5.646507|5.147956|5.754229|5.528708|4.613193|3.907479|3.259860|2.720886|2.332615|2.281419|2.572652|3.131152|36.858105| |2.510171|2.637495|3.839914|0.089323|2.415416|2.433915|2.892424|3.479884|4.735163|7.950774|7.445453|0.156136|6.305823|5.068728|4.917659|6.949836|7.208335|5.463626|8.045090|4.975172|4.185654|4.908843|5.059776|4.409768|4.113771|3.084175|2.554794|2.228504|2.224774|2.548650|3.079572|13.681988|36.858105| |2.238084|2.344425|3.320557|0.075122|2.107293|2.098216|2.520527|2.933055|3.806421|5.768460|4.967613|0.116830|4.353161|3.719452|3.680315|5.558999|5.637667|4.091336|6.402665|4.001663|3.500527|4.376764|4.630222|3.870538|3.798658|2.973088|2.457060|2.192824|2.244913|2.617514|3.112698|7.866833|13.769971|36.858105| |2.069849|2.210783|3.133155|0.069368|1.993385|1.987792|2.448286|2.859383|3.617856|5.141579|4.393499|0.111084|3.672040|3.133761|3.190110|4.912736|4.782792|3.486265|5.417383|3.635276|3.390920|4.403285|4.574853|3.589526|3.413921|3.019886|2.503999|2.257093|2.331655|2.730526|3.213928|6.789814|7.935656|13.729689|36.858105| |2.105220|2.303130|3.334977|0.073324|2.113689|2.130834|2.692124|3.254428|4.113506|5.657389|4.970475|0.133089|3.840472|3.197964|3.334702|5.081236|4.785583|3.568627|5.361098|3.866362|3.838133|4.978866|4.912096|3.694078|3.292590|3.186593|2.660450|2.366997|2.400314|2.765775|3.279376|7.827225|6.882074|7.949241|13.782562|36.858105| |2.332397|2.584024|3.867934|0.086537|2.427406|2.486428|3.161913|4.056324|5.383602|7.704405|7.498052|0.203094|5.013113|3.957900|4.190853|6.099373|5.660996|4.389219|6.241310|4.728081|4.792645|5.790337|5.427070|4.157940|3.499176|3.319224|2.780304|2.407618|2.372177|2.681890|3.237457|13.787365|8.076685|6.974734|8.024389|13.807492|36.858105| |2.288964|2.593767|3.977760|0.087145|2.518572|2.624894|3.396969|4.538935|5.545442|7.329521|6.727680|0.222118|4.507302|3.639569|3.949622|5.867107|5.260287|3.948565|5.638234|4.380190|4.946258|6.028194|5.238161|3.789291|3.100542|3.227088|2.794882|2.413700|2.331757|2.566687|3.047680|8.121641|5.306833|4.678308|5.315235|8.192350|14.203234|97.533100| |17.603389|8.718657|8.839954|0.166744|6.589170|4.496879|4.392621|3.500705|3.343354|4.337508|2.573106|0.067132|2.528238|2.983100|3.634797|8.418274|5.344425|2.146410|3.659155|1.900581|1.851979|2.248190|2.147584|1.689338|1.601139|1.415127|1.327007|1.213432|1.176180|1.236418|1.357865|2.315142|2.245466|2.011472|1.870273|1.906512|2.106355|4.695449|0.500000| |17.587746|8.806808|9.514512|0.219974|5.782144|4.355661|4.663367|3.978236|4.140163|5.557829|3.154034|0.079233|3.113748|3.830725|4.932597|12.571243|6.802293|2.558690|4.339839|2.205815|2.106428|2.521607|2.424121|1.939218|1.841538|1.578885|1.460696|1.326211|1.289097|1.368339|1.518357|2.822880|2.778827|2.433692|2.205872|2.223410|2.484558|5.399594|0.299966|0.500000| |17.573540|8.957302|7.554275|0.148346|4.692563|3.499038|4.157119|3.391061|3.458484|4.375424|2.591405|0.066540|2.492451|2.885802|3.548189|7.943071|5.059148|2.114820|3.591908|1.881661|1.819270|2.222246|2.141831|1.688420|1.613579|1.416967|1.317818|1.209265|1.182518|1.252722|1.375423|2.421391|2.396726|2.180269|2.022452|2.034255|2.212151|4.841378|0.303259|0.301379|0.500000| |8.756446|17.583328|12.363157|0.180811|7.022169|4.574548|6.957881|4.568548|4.065522|4.682844|2.723412|0.072813|2.502606|2.796552|3.558042|7.735095|4.710160|2.105365|3.484825|1.922007|1.922587|2.347287|2.208973|1.706935|1.590637|1.458087|1.366698|1.250299|1.212639|1.275362|1.400567|2.487133|2.332888|2.110494|2.022445|2.117169|2.345018|5.372193|0.212481|0.172461|0.207572|0.500000| |8.909592|17.634593|12.509159|0.224398|5.632343|4.145214|7.388617|5.365658|5.456896|5.992317|3.303787|0.085384|2.951123|3.314117|4.471485|9.842144|5.415112|2.414271|3.948119|2.176769|2.146314|2.595590|2.456915|1.920679|1.790588|1.607563|1.485032|1.351464|1.317534|1.401091|1.552880|3.064590|2.892232|2.585895|2.443727|2.541294|2.836749|6.329080|0.173377|0.208202|0.222524|0.302101|0.500000| |7.394575|7.291497|12.467955|0.224464|17.681333|8.942000|5.596795|4.402973|3.810008|5.015540|2.932237|0.078419|2.891521|3.446063|4.275635|10.043816|6.108311|2.415782|4.059234|2.134719|2.117989|2.531791|2.371514|1.856861|1.721692|1.544048|1.456423|1.318646|1.262304|1.318371|1.456682|2.499968|2.334539|2.042862|1.910555|1.993662|2.265058|5.186199|0.244524|0.191720|0.146312|0.179811|0.146904|0.500000| |5.531860|6.991368|12.407744|0.180600|17.583000|8.775990|6.971897|4.807941|3.777015|4.622842|2.748987|0.075984|2.596559|2.921474|3.608603|7.741359|4.991371|2.196663|3.636331|2.006462|2.043643|2.472545|2.287708|1.757037|1.613162|1.500257|1.424446|1.294655|1.237767|1.286869|1.414844|2.380956|2.178037|1.934853|1.854910|1.971483|2.231968|5.257432|0.167197|0.133226|0.122335|0.211480|0.144609|0.301779|0.500000| |3.858388|4.141552|7.544120|0.145537|8.963736|17.577157|4.711672|4.229676|3.411958|4.628673|2.881532|0.081074|2.876748|3.283320|3.776000|7.704124|5.783188|2.465962|4.117336|2.227260|2.280152|2.718356|2.490756|1.919596|1.744432|1.616416|1.549302|1.394441|1.314488|1.355141|1.496427|2.385481|2.165661|1.890653|1.794340|1.908951|2.194113|5.189242|0.115978|0.106428|0.088279|0.110419|0.096984|0.219473|0.211621|0.500000| |3.737212|4.447668|9.031800|0.168752|8.724901|17.593589|6.746237|6.271198|4.383523|5.629960|3.420745|0.099562|3.217038|3.527808|4.277988|8.338463|5.827368|2.687703|4.334530|2.474331|2.603174|3.074089|2.757921|2.102561|1.870585|1.773782|1.691719|1.511955|1.421935|1.470140|1.634605|2.772539|2.425359|2.099781|2.019856|2.202089|2.586433|6.314909|0.104632|0.102697|0.086541|0.117962|0.108126|0.173428|0.209860|0.302917|0.500000| |4.254192|4.619970|9.341212|0.211605|8.818761|17.598381|5.617037|5.592597|4.558484|6.564917|3.866486|0.106907|3.895918|4.677609|5.716053|11.899394|7.977417|3.152832|5.148118|2.749394|2.780561|3.207461|2.925311|2.295823|2.059583|1.856551|1.751877|1.555290|1.465042|1.525087|1.709741|3.015043|2.688622|2.270819|2.119315|2.262370|2.677037|6.277138|0.118943|0.125910|0.095319|0.113233|0.111538|0.212833|0.172535|0.302070|0.299506|0.500000| |4.285840|6.167990|12.323981|0.185316|7.670443|6.643795|17.623385|8.808087|5.400583|5.771456|3.353538|0.096030|2.925585|3.116226|4.013988|7.912434|4.998434|2.425880|3.876084|2.274612|2.383417|2.872033|2.603141|1.971617|1.770034|1.694440|1.598193|1.443082|1.378100|1.438829|1.593668|2.896996|2.528189|2.235205|2.194502|2.418101|2.801667|6.894631|0.112212|0.110044|0.101651|0.175255|0.155699|0.150283|0.224253|0.142626|0.220246|0.151304|0.500000| |4.880062|7.905471|12.354958|0.196807|5.791742|4.676981|17.627197|8.861675|6.768468|6.385156|3.562385|0.097988|3.002957|3.187240|4.263734|8.437221|5.029846|2.458286|3.915212|2.293521|2.355632|2.849268|2.623497|2.004240|1.818129|1.710877|1.590917|1.441049|1.392792|1.471543|1.633753|3.229747|2.850068|2.540431|2.497067|2.736457|3.137314|7.502298|0.116922|0.123993|0.120170|0.210927|0.245029|0.129878|0.158284|0.105239|0.136722|0.119656|0.304108|0.500000| |3.674770|4.557384|9.235430|0.203390|5.712424|6.693355|8.808949|17.610875|8.793656|10.306464|5.585160|0.168678|4.565238|4.726543|6.475151|10.957603|6.953629|3.509098|5.318601|3.233049|3.447082|3.914462|3.445278|2.645279|2.284729|2.153433|1.999638|1.757086|1.657577|1.742705|1.980206|4.164702|3.367732|2.797388|2.694128|3.044863|3.826612|9.651703|0.094180|0.105871|0.087251|0.112355|0.124267|0.127227|0.134067|0.137025|0.220930|0.199091|0.210273|0.173583|0.500000| |3.297378|4.264325|7.556180|0.149645|4.456516|4.577797|9.064759|17.553353|8.778275|7.997377|4.741128|0.145889|3.662067|3.586429|4.636028|7.906408|5.379485|2.965268|4.520662|2.873935|3.121278|3.702272|3.261587|2.440178|2.119575|2.082328|1.933608|1.719538|1.637597|1.725667|1.944505|4.044041|3.242130|2.810965|2.832977|3.315660|4.090188|10.996279|0.083378|0.091328|0.081790|0.110703|0.124124|0.101434|0.115895|0.102519|0.150342|0.124475|0.221730|0.215702|0.305314|0.500000| |3.255941|3.952683|6.265558|0.140268|3.548520|3.506446|5.743665|8.815926|17.672125|12.680234|7.255607|0.197191|4.719004|4.369166|5.816894|8.867221|6.170510|3.632715|5.363345|3.472838|3.591633|4.188537|3.796124|2.925849|2.545414|2.379581|2.126539|1.876908|1.817143|1.968118|2.265324|6.939558|5.058542|4.182408|4.179942|5.063197|6.922209|16.818584|0.079160|0.094797|0.083206|0.096828|0.125202|0.087680|0.089208|0.081302|0.103102|0.102967|0.127824|0.159111|0.187078|0.233392|0.500000| |4.544767|5.786678|8.876837|0.211538|4.399992|3.978281|7.287432|8.719301|17.546489|12.557545|5.723768|0.140561|4.393798|4.644391|7.096202|12.493054|6.760403|3.328227|5.134252|2.992430|2.953531|3.461533|3.231610|2.551196|2.305686|2.053080|1.852162|1.653318|1.607998|1.734617|1.970863|5.235708|4.513617|3.752004|3.514942|3.818865|4.648873|10.174806|0.103822|0.134601|0.113879|0.129707|0.200643|0.110016|0.107063|0.090394|0.110380|0.116750|0.144222|0.209491|0.179654|0.185042|0.304982|0.500000| |2.071828|2.238820|3.567740|0.079760|2.464865|2.804865|2.821314|3.610073|3.800235|6.150170|6.232252|0.232263|5.925667|4.349987|3.934659|5.702817|6.428238|6.251822|8.314773|8.501394|17.787438|12.663216|8.323904|5.876300|4.054865|4.349867|3.902204|3.058706|2.715237|2.855441|3.508002|4.977263|3.892655|3.231240|3.158271|3.651783|4.688983|11.736385|0.054451|0.061494|0.052872|0.057253|0.063412|0.063798|0.062252|0.070543|0.082721|0.086986|0.074095|0.071577|0.112627|0.099704|0.108939|0.087952|0.500000| |1.688186|1.724803|2.517045|0.056351|1.713282|1.795927|1.876800|2.161947|2.482774|3.938141|3.621863|0.094666|3.958984|3.217238|2.748471|4.184583|5.254930|5.091139|8.990599|5.987164|4.515199|6.221805|8.638063|8.869371|17.544359|5.610201|4.081501|3.470095|3.578890|4.477825|6.106762|4.071827|4.503829|4.393721|3.921765|3.630087|3.702133|7.136087|0.044005|0.050831|0.044940|0.044030|0.050013|0.046628|0.043839|0.046453|0.049985|0.054658|0.048380|0.050467|0.061539|0.058183|0.071595|0.064744|0.101125|0.500000| |1.773391|1.788794|2.638116|0.059687|1.821556|1.935603|1.929920|2.215773|2.510968|4.115208|3.755275|0.096963|4.585111|3.759698|3.002324|4.543545|6.350038|6.697598|14.124688|6.948521|4.723173|6.006644|7.756544|9.045818|17.665670|4.667218|3.729537|3.117863|3.041949|3.489741|4.418970|3.827634|4.132355|3.698181|3.203204|3.052292|3.292663|6.550361|0.046556|0.053971|0.046751|0.045406|0.051178|0.049993|0.046152|0.050332|0.053286|0.059855|0.049830|0.051118|0.064436|0.058613|0.070175|0.065263|0.106778|0.301034|0.500000| |1.553138|1.581943|2.325587|0.051690|1.616373|1.720117|1.729172|1.976936|2.192368|3.450580|3.102711|0.084168|3.482927|2.901621|2.455940|3.794899|4.880064|4.615578|8.630610|5.630711|4.470611|6.482401|9.477731|8.889886|17.580218|6.655262|5.053785|4.179911|4.121675|4.860811|6.408936|3.227503|3.346246|3.176605|2.943809|2.861683|2.987875|6.127372|0.041001|0.046531|0.041153|0.040685|0.045242|0.044055|0.041498|0.045040|0.047965|0.052317|0.045209|0.046077|0.057220|0.053422|0.062409|0.056832|0.099724|0.301639|0.300277|0.500000| |1.409589|1.476253|2.215195|0.047995|1.568773|1.713818|1.706004|1.971440|2.059192|3.084364|2.717114|0.081770|2.785609|2.348451|2.123089|3.338330|3.874990|3.283054|5.461161|4.322777|4.994456|9.590266|9.904490|5.078878|4.152657|8.950960|17.756094|8.887365|5.633271|4.956620|5.655198|2.676610|2.472305|2.331606|2.356882|2.530982|2.708104|6.250759|0.037642|0.041246|0.037051|0.038718|0.041784|0.041807|0.040952|0.045211|0.049412|0.051056|0.045889|0.045088|0.057923|0.055388|0.059585|0.051933|0.118907|0.101425|0.098849|0.125352|0.500000| |1.203166|1.253774|1.846874|0.039587|1.309854|1.406524|1.418688|1.600095|1.667303|2.435056|2.067248|0.060771|2.090323|1.827633|1.688214|2.713612|3.064752|2.373845|4.065224|2.880440|3.103308|5.270368|5.703665|3.358115|3.126712|5.654183|8.946539|17.716297|8.906836|5.651688|4.955966|2.099876|2.000477|1.961367|2.015324|2.117891|2.163285|4.937190|0.032219|0.034941|0.031965|0.033174|0.035561|0.035096|0.034580|0.037402|0.040389|0.041309|0.038345|0.038009|0.046185|0.045186|0.048387|0.042910|0.077625|0.081463|0.075797|0.097354|0.214543|0.500000| |1.150781|1.194666|1.734180|0.037170|1.216846|1.284299|1.328658|1.486570|1.576464|2.286059|1.928318|0.055434|1.931032|1.698794|1.581278|2.551447|2.849647|2.169917|3.742788|2.570857|2.639051|4.308799|4.923432|3.063365|3.061083|4.949199|5.640307|8.901534|17.716912|8.913175|5.640510|2.034638|1.995899|2.028907|2.112011|2.161029|2.118287|4.697174|0.030658|0.033417|0.030851|0.031599|0.034170|0.032743|0.032184|0.034034|0.036647|0.037611|0.035650|0.036031|0.042219|0.041900|0.046089|0.041128|0.065629|0.084755|0.073318|0.095668|0.123872|0.214544|0.500000| |1.259238|1.305840|1.884075|0.040693|1.302034|1.360030|1.441430|1.622670|1.767871|2.582003|2.211333|0.062297|2.198617|1.907183|1.770273|2.827916|3.165744|2.483158|4.256538|2.953959|2.899601|4.648720|5.678258|3.670142|3.869374|5.653308|4.953393|5.649560|8.913911|17.715839|8.934794|2.436943|2.459358|2.587152|2.718198|2.695031|2.549526|5.424216|0.033238|0.036781|0.033889|0.034286|0.037733|0.035093|0.034250|0.035708|0.038610|0.040037|0.038177|0.039342|0.045606|0.045467|0.052170|0.046353|0.070339|0.116101|0.088998|0.118504|0.107585|0.124124|0.214646|0.500000| |1.501419|1.563158|2.280143|0.049991|1.555233|1.631538|1.746773|2.015368|2.259002|3.399106|3.069952|0.085627|3.052010|2.519646|2.291119|3.555020|4.075640|3.578555|5.924691|4.567236|4.255328|6.885482|9.741843|6.358986|6.567204|8.928476|5.646008|4.958812|5.643401|8.906762|17.747023|3.507242|3.548272|3.682793|3.802150|3.763471|3.619680|7.358411|0.039275|0.044336|0.040125|0.040521|0.045433|0.041787|0.040411|0.042303|0.046268|0.048695|0.045630|0.047389|0.056819|0.055971|0.067176|0.058413|0.096782|0.215291|0.133987|0.181691|0.124472|0.107623|0.124076|0.215354|0.500000| |2.626545|2.686385|3.900546|0.092365|2.476431|2.494890|2.835981|3.338037|4.441708|7.887264|6.950697|0.141858|7.095446|6.032786|5.416420|7.576343|8.647750|6.075297|9.356061|4.935382|3.958725|4.575288|4.772035|4.314085|4.190447|2.908001|2.438063|2.129717|2.116138|2.401877|2.877009|8.963097|17.739515|8.926077|5.646490|4.958731|5.716082|9.605486|0.065330|0.082505|0.069400|0.065332|0.080855|0.067552|0.061369|0.061915|0.067828|0.077671|0.068847|0.076710|0.091488|0.084330|0.123271|0.120245|0.102449|0.124527|0.123726|0.094098|0.066041|0.053413|0.052927|0.064333|0.090840|0.500000| |2.146744|2.204455|3.070138|0.069206|1.968396|1.946619|2.287072|2.588408|3.264904|4.922632|4.061747|0.096673|3.808482|3.397342|3.304710|5.128399|5.342404|3.679649|6.045045|3.524879|3.047472|3.863218|4.165541|3.506461|3.639531|2.741489|2.288102|2.071564|2.143055|2.501032|2.917905|5.620262|8.934003|17.721461|8.902621|5.650011|5.004967|8.327761|0.053778|0.065000|0.058705|0.055281|0.067229|0.053633|0.050353|0.049176|0.053629|0.058388|0.056705|0.064203|0.068943|0.068578|0.096588|0.091575|0.078053|0.118894|0.100356|0.085702|0.060085|0.051650|0.054269|0.069689|0.095897|0.215540|0.500000| |1.899857|2.016019|2.817823|0.061638|1.810327|1.796086|2.193326|2.500131|3.058478|4.260458|3.520541|0.090982|3.056698|2.679955|2.721261|4.296749|4.194001|2.961814|4.734645|3.100293|2.920833|3.895797|4.093899|3.151274|3.087152|2.807243|2.356468|2.170421|2.282192|2.683535|3.069931|4.908726|5.641251|8.890523|17.717866|8.938322|5.683664|9.626074|0.047944|0.055793|0.052072|0.051765|0.061724|0.048407|0.047217|0.045429|0.050650|0.052742|0.055203|0.062622|0.065466|0.069338|0.096548|0.083908|0.075713|0.099346|0.080183|0.075846|0.061089|0.053978|0.058086|0.075905|0.100864|0.124071|0.214104|0.500000| 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