Version2.0 2020-07-20T02:59:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 18-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOc1ccc(cc1)[C@H](CNC(=O)c2ccc(o2)S(=O)(=O)c3ccc(cc3)Cl)[NH+]4CCCCC4 C40322176 RHF 6-31G(d) (6D,7F) CCCOc1ccc(cc1)[C@H](CNC(=O)c2ccc(o2)S(=O)(=O)c3ccc(cc3)Cl)[NH+]4CCCCC4 C01[X(C27H32Cl1N2O5S1)] 198 C1 612 CCCOc1ccc(cc1)[C@@H]([NH+]1CCCCC1)CNC(=O)c1ccc(o1)S(=O)(=O)c1ccc(cc1)Cl CCCOc1ccc(cc1)[C@@H]([NH+]1CCCCC1)CNC(=O)c1ccc(o1)S(=O)(=O)c1ccc(cc1)Cl CCCOc1ccc(cc1)[C@H](CNC(=O)c2oc(cc2)[S](=O)(=O)c3ccc(Cl)cc3)[NH+]4CCCCC4 InChIKey=UOPYWDRUHBPLAA-DEOSSOPVSA-O InChI=1S/C27H31ClN2O5S/c1-2-18-34-22-10-6-20(7-11-22)24(30-16-4-3-5-17-30)19-29-27(31)25-14-15-26(35-25)36(32,33)23-12-8-21(28)9-13-23/h6-15,24H,2-5,16-19H2,1H3,(H,29,31)/p+1/t24-/m0/s1 InChI=1/C27H31ClN2O5S/c1-2-18-34-22-10-6-20(7-11-22)24(30-16-4-3-5-17-30)19-29-27(31)25-14-15-26(35-25)36(32,33)23-12-8-21(28)9-13-23/h6-15,24H,2-5,16-19H2,1H3,(H,29,31)/p+1/t24-/m0/s1/fC27H32ClN2O5S/h29-30H/q+1 CCCOc1ccc(cc1)[C@H](CNC(=O)c2ccc(o2)S(=O)(=O)c3ccc(cc3)Cl)[NH+]4CCCCC4 C01[X(C27H32Cl1N2O5S1)] 198 C01 612 CCCOc1ccc(cc1)[C@@H]([NH+]1CCCCC1)CNC(=O)c1ccc(o1)S(=O)(=O)c1ccc(cc1)Cl CCCO[C]1[CH][CH][C]([CH][CH]1)[C@@H]([NH]1CCCCC1)CNC(=O)C1=[CH][CH]=C(O1)S(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)Cl CCCO[C]1[CH][CH][C]([CH][CH]1)[C@H](CNC(=O)c2oc(cc2)[S](=O)(=O)[C]3[CH][CH][C](Cl)[CH][CH]3)[NH]4CCCCC4 InChIKey=LCBMTANKQZYRIE-DEOSSOPVSA-N InChI=1S/C27H32ClN2O5S/c1-2-18-34-22-10-6-20(7-11-22)24(30-16-4-3-5-17-30)19-29-27(31)25-14-15-26(35-25)36(32,33)23-12-8-21(28)9-13-23/h6-15,24,30H,2-5,16-19H2,1H3,(H,29,31)/t24-/m0/s1 InChI=1/C27H32ClN2O5S/c1-2-18-34-22-10-6-20(7-11-22)24(30-16-4-3-5-17-30)19-29-27(31)25-14-15-26(35-25)36(32,33)23-12-8-21(28)9-13-23/h6-15,24,30H,2-5,16-19H2,1H3,(H,29,31)/t24-/m0/s1/f/h29H 4172.7142322121 -2381.0017053 1-A 28562.1285 140 472 612 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.89887 -92.27597 -20.75144 -20.68252 -20.64109 -20.63140 -20.63082 -15.83403 -15.70564 -11.47150 -11.43266 -11.42828 -11.42313 -11.41108 -11.41055 -11.40679 -11.40196 -11.39043 -11.36952 -11.36696 -11.36636 -11.36454 -11.35930 -11.35515 -11.35508 -11.35066 -11.34701 -11.34545 -11.34219 -11.34101 -11.34099 -11.33387 -11.32972 -11.32841 -11.29475 -11.28269 -10.63235 -9.25032 -8.10176 -8.09828 -8.09826 -6.93662 -6.93590 -6.93532 -1.59913 -1.54525 -1.51643 -1.51076 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227.48 234.55 251.49 261.87 291.53 321.58 340.97 365.68 370.81 386.03 397.28 435.60 451.53 457.92 469.66 504.97 510.21 524.76 551.33 561.27 577.96 653.38 666.93 669.70 682.06 698.38 708.12 724.45 734.82 745.60 774.70 789.59 797.56 838.87 870.06 895.23 913.12 950.87 974.62 989.62 1004.14 1005.32 1073.71 1134.62 1148.99 1158.08 1193.90 1203.44 1227.60 1243.72 1255.93 1285.32 1316.37 1325.80 1340.99 1360.62 1363.98 1372.90 1385.73 1389.03 1400.29 1419.91 1421.89 1445.25 1486.26 1492.15 1500.01 1504.44 1545.77 1561.54 1581.58 1586.63 1589.36 1596.07 1598.90 1603.22 1603.73 1607.45 1610.33 1654.61 1666.27 1678.33 1686.07 1707.29 1719.76 1723.43 1738.00 1761.64 1780.24 1789.66 1808.59 1825.76 1847.71 1854.10 1859.16 1868.14 1873.22 1875.29 1879.19 1913.22 1936.36 1969.83 1990.47 2007.19 2012.56 2037.57 2048.39 2063.82 2080.87 2085.65 2090.71 2108.91 2114.22 2119.47 2139.04 2150.90 2177.82 2187.08 2204.79 2215.08 2221.30 2231.24 2234.91 2257.85 2258.71 2268.52 2279.65 2284.10 2302.54 2342.74 2350.41 2356.52 2359.60 2364.14 2364.91 2366.64 2380.47 2386.92 2392.52 2403.33 2412.66 2447.69 2479.61 2536.80 2539.59 2571.23 2603.70 2610.41 2783.89 4607.70 4610.69 4616.15 4617.48 4633.33 4643.23 4669.22 4682.85 4694.99 4703.03 4707.00 4718.84 4721.85 4722.23 4727.22 4727.48 4776.02 4787.55 4807.52 4835.32 4836.71 4838.67 4897.87 4899.63 4903.09 4917.88 4919.22 4921.40 4987.08 5003.82 5322.74 5590.83 0.604399 0.636641 0.637586 0.533000 -2380.397306 -2380.365064 -2380.364120 -2380.468705 3.507798D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE CCCOc1ccc(cc1)[C@H](CNC(=O)c2ccc(o2)S(=O)(=O)c3ccc(cc3)Cl)[NH+]4CCCCC4 C40322176 RHF 6-31G(d) (6D,10F) C1 531.172047 |X|Y|Z| 87.070046 50.759605 135.661818 84.323420 28 6 7 8 16 24 2 1 1 |36.858105| |12.465501|36.858105| |7.549856|12.555506|36.858105| |5.092111|8.039965|13.451314|73.516695| |3.889055|5.232125|7.960470|25.467141|36.858105| |3.148026|4.091680|5.235567|14.647362|13.638416|36.858105| |2.616084|3.202252|3.973322|9.457254|7.921151|13.858492|36.858105| |2.511084|2.964418|3.758844|8.196958|6.791983|7.891979|13.647108|36.858105| |2.847142|3.331514|4.486976|9.278302|7.933529|6.909623|7.990741|13.730751|36.858105| |3.587776|4.384068|6.656637|14.037105|13.694520|7.925571|6.878352|7.862665|13.741632|36.858105| |2.100732|2.400801|2.904676|6.001071|4.412421|5.019702|7.549896|12.591791|7.513560|4.991141|36.858105| |1.971758|2.260955|2.668182|5.576274|3.977020|4.800174|7.339155|8.902700|5.581303|4.175567|17.652812|0.500000| |1.984123|2.220867|2.658224|5.289263|3.729481|3.997892|5.269726|7.481207|6.092483|4.311325|12.341260|0.248986|36.858105| |2.013134|2.269099|2.686490|5.399406|3.750841|4.110012|5.258292|6.429431|5.293610|4.112914|7.795733|0.199078|13.248349|53.358707| |1.840424|2.074807|2.387930|4.831051|3.248970|3.703629|4.677195|5.045190|4.060973|3.363266|6.114879|0.187073|7.879980|19.158411|36.858105| |1.703459|1.913092|2.178684|4.402155|2.931728|3.380215|4.314738|4.594440|3.633699|3.012304|6.019670|0.205908|6.978157|11.557692|15.835547|73.516695| |1.826221|2.056134|2.320283|4.668762|3.033296|3.428945|4.013840|4.023217|3.433924|3.036631|4.321000|0.128808|5.094205|10.821300|12.915245|14.460247|36.858105| |1.684747|1.888834|2.081746|4.171523|2.633202|2.990998|3.390584|3.269626|2.825549|2.574449|3.469906|0.105878|3.840837|7.023065|7.434577|11.349195|14.181424|36.858105| |1.707306|1.904066|2.069133|4.095091|2.519901|2.794559|3.016533|2.882637|2.591011|2.440179|2.924223|0.086132|3.211930|5.711168|5.184686|7.827023|8.598931|13.288297|36.858105| |1.870613|2.086635|2.295243|4.513757|2.790168|3.024070|3.221708|3.132919|2.883917|2.732776|3.096304|0.088194|3.488787|6.446045|5.377048|7.536874|8.853913|8.634677|14.191577|36.858105| |1.964437|2.205277|2.494680|4.953060|3.177637|3.457791|3.839589|3.868949|3.501091|3.195283|3.879458|0.108918|4.602424|9.592394|7.856437|9.607491|14.129187|8.592278|8.588336|14.231448|73.516695| |1.955640|2.149144|2.322449|4.435181|2.644854|2.744399|2.779630|2.710406|2.621554|2.587033|2.590148|0.071791|2.870032|4.945873|3.747166|5.516638|4.984839|4.819456|6.740445|10.800829|12.703777|388.023441| |2.285471|2.535794|2.769697|5.270464|3.118713|3.152000|3.091012|3.001017|2.981988|3.031096|2.749242|0.074638|3.000608|5.118860|3.650972|5.327623|4.525524|4.090122|5.033644|7.404099|11.528276|94.679517|73.516695| |1.811416|1.981492|2.088814|3.983248|2.328187|2.438529|2.444829|2.339932|2.247249|2.238407|2.247372|0.063236|2.425820|4.032626|3.140261|4.835689|4.078470|4.327950|6.300806|7.511420|9.016110|94.716472|13.522635|73.516695| |1.786086|1.914964|2.074505|3.858286|2.305052|2.336221|2.397285|2.429190|2.399178|2.334630|2.384196|0.065124|2.729681|4.575595|3.379429|5.057209|4.214036|3.984359|5.005039|6.806524|10.040335|76.746395|13.040473|13.009065|36.858105| |1.867796|1.981731|2.175390|3.977134|2.387521|2.360236|2.419825|2.517728|2.555901|2.483227|2.461863|0.065725|2.873642|4.735895|3.309434|4.926241|3.866529|3.458651|3.980493|5.268302|9.115676|49.640547|11.547563|8.837655|13.739774|36.858105| |1.703491|1.779283|1.941356|3.503497|2.093776|2.057373|2.117988|2.229925|2.279672|2.202844|2.217996|0.059076|2.596237|4.107449|2.871018|4.404698|3.216148|2.930954|3.255968|3.971130|7.002593|33.736396|7.869718|6.824908|7.966541|13.778456|36.858105| |1.527930|1.592969|1.716372|3.110540|1.848510|1.838879|1.898604|1.978553|1.992950|1.922557|1.992573|0.053839|2.304426|3.606018|2.607279|4.095871|2.943881|2.794496|3.134310|3.630780|6.143872|30.063828|6.592092|6.583559|6.950400|7.978111|13.754270|36.858105| |1.481582|1.556792|1.664293|3.050043|1.807513|1.825310|1.885078|1.931883|1.913371|1.848977|1.947560|0.053420|2.223747|3.525077|2.634161|4.160621|3.078950|3.041121|3.553905|4.018102|6.380705|33.743922|6.817605|7.834876|7.964716|6.841887|7.881109|13.747034|36.858105| |1.585945|1.687039|1.804804|3.347364|1.986486|2.026849|2.088359|2.110006|2.068062|2.005618|2.106341|0.058180|2.390571|3.898411|2.960013|4.591024|3.633915|3.642940|4.564698|5.377847|7.854446|49.652991|8.815318|11.448536|13.727211|7.883745|6.842861|7.978850|13.785676|36.858105| |1.383613|1.425377|1.527649|2.742266|1.622209|1.605064|1.657312|1.737946|1.761216|1.697855|1.764678|0.047590|2.025444|3.059870|2.203177|3.551183|2.397098|2.291203|2.482658|2.757517|4.782840|21.712156|4.962459|4.957301|4.257851|4.785939|7.066364|10.990967|7.063228|4.785808|448.794386| |1.979490|2.222921|2.659869|5.329414|3.764588|4.062038|5.399474|7.656349|6.099643|4.328159|12.406544|0.253670|7.434274|6.796888|4.254099|7.897173|3.252239|2.759407|2.381943|2.485740|5.289552|15.292757|4.032741|3.385539|2.024664|2.102929|1.942254|1.764270|1.714917|1.822421|12.832286|53.358707| |2.097757|2.340240|2.846938|5.595015|3.968727|4.042955|5.081199|7.471937|7.045649|4.841706|9.228582|0.183026|6.608076|6.223579|3.768328|6.708045|2.986315|2.534105|2.238557|2.371694|5.022061|14.931850|3.991320|3.293079|1.992697|2.097865|1.945962|1.754144|1.689070|1.785500|12.814493|25.716227|0.500000| |1.958581|2.219073|2.610495|5.317471|3.679378|4.118550|5.346251|6.313171|5.010080|3.951771|7.627137|0.206114|4.923289|5.271326|3.554114|6.751594|2.860088|2.523124|2.195918|2.249471|4.639693|13.956070|3.674649|3.151774|1.821834|1.864475|1.721206|1.580605|1.552501|1.655107|11.538509|17.167420|0.259244|36.858105| |1.828087|2.029216|2.346924|4.619322|3.057853|3.252801|3.849215|4.385684|3.940799|3.305184|4.934727|0.131282|3.760997|4.139404|2.815414|5.321703|2.347101|2.112384|1.873517|1.915187|3.871665|12.136857|3.184827|2.768243|1.608762|1.653964|1.549385|1.432048|1.400923|1.476740|10.606965|10.335877|0.198791|12.513949|36.858105| |1.620238|1.770836|2.020885|3.907669|2.541896|2.682409|3.150806|3.605624|3.283411|2.760896|4.315651|0.116818|3.596663|3.929518|2.712259|5.236468|2.252007|2.040176|1.800556|1.827532|3.683514|11.544708|2.986839|2.639756|1.554563|1.599698|1.516252|1.412044|1.379209|1.441057|10.557737|8.755360|0.163737|7.565513|12.477369|36.858105| |1.631902|1.773190|2.044415|3.916084|2.573629|2.673051|3.174160|3.830071|3.551925|2.885285|4.871098|0.125010|4.339982|4.484708|3.008438|5.766492|2.441960|2.169466|1.906393|1.954988|4.002067|12.304471|3.178456|2.780214|1.679928|1.747830|1.665437|1.542558|1.493477|1.551968|11.549965|10.353795|0.198073|6.552940|7.628764|12.479282|36.858105| |1.727046|1.900728|2.218307|4.328248|2.922403|3.104456|3.881998|4.940667|4.293860|3.298789|7.404125|0.183806|6.492356|6.045095|3.962874|7.712908|3.035297|2.620163|2.248915|2.315245|4.870338|14.221546|3.668970|3.171079|1.927916|2.003253|1.885329|1.733235|1.681365|1.763316|12.782525|17.213027|0.258755|7.695365|6.512116|7.509135|12.483964|36.858105| |17.580300|8.814035|5.501591|7.483141|3.302980|2.794599|2.350537|2.236567|2.476696|3.020845|1.902139|0.050135|1.800866|2.497378|1.699439|2.812539|1.698997|1.585419|1.614948|1.755164|3.236706|13.110385|3.789772|3.079074|1.683289|1.744985|1.597934|1.446053|1.409867|1.507835|10.551453|2.447140|0.052473|1.792093|1.681873|1.500260|1.503501|1.584370|0.500000| |17.542577|8.759467|6.819022|8.296742|3.727233|3.013613|2.546998|2.483746|2.845045|3.557332|2.090891|0.054236|2.011227|2.798229|1.868001|3.048488|1.864869|1.712962|1.748996|1.937103|3.613252|14.635720|4.325604|3.364616|1.895014|2.002840|1.826574|1.625606|1.565688|1.672552|11.797867|2.661922|0.057671|1.903761|1.771300|1.584970|1.614686|1.717321|0.302268|0.500000| |17.539912|8.757247|6.818246|8.296862|3.717492|2.999884|2.535492|2.474629|2.837518|3.553381|2.081968|0.053973|1.956733|2.658193|1.777700|2.945318|1.742534|1.603892|1.610482|1.755798|3.302068|12.904637|3.723802|2.983258|1.677351|1.762358|1.622730|1.458686|1.408776|1.497294|10.691628|2.718451|0.059343|1.983151|1.876274|1.658618|1.666203|1.744216|0.302223|0.301235|0.500000| |8.822434|17.560948|8.952970|13.113192|4.952094|4.077469|3.178894|2.885792|3.160478|4.044779|2.352741|0.062222|2.198041|3.121552|2.119691|3.452595|2.139554|1.978927|2.021601|2.223365|4.120460|16.518219|4.933453|3.831164|2.033199|2.083168|1.850687|1.657824|1.631385|1.784007|11.806318|2.913795|0.061813|2.128435|1.926997|1.695518|1.702603|1.841324|0.212149|0.210056|0.172463|0.500000| |8.821909|17.556861|8.949632|13.114227|4.929206|4.043968|3.156716|2.871435|3.149891|4.038455|2.340000|0.061827|2.127788|2.931653|1.991162|3.305699|1.961320|1.816846|1.816913|1.962035|3.678226|14.153187|4.095223|3.297135|1.772369|1.817790|1.640721|1.482813|1.457057|1.576852|10.704150|2.987667|0.063864|2.240212|2.063271|1.785821|1.762766|1.874233|0.212173|0.172479|0.209954|0.303358|0.500000| |6.853352|8.832225|17.544844|16.504023|7.042287|4.749520|3.785415|3.718003|4.570605|6.730393|2.901426|0.073208|2.628639|3.512103|2.280074|3.742357|2.175838|1.950355|1.916657|2.107946|4.100664|14.993981|4.380810|3.378451|1.919076|2.024205|1.832476|1.626333|1.569186|1.684625|11.750128|3.735228|0.083169|2.709230|2.483287|2.119558|2.136191|2.282263|0.140368|0.168105|0.202699|0.174178|0.213180|0.500000| |6.849594|8.831597|17.551258|16.511731|7.113039|4.806674|3.825376|3.750271|4.603580|6.759820|2.926422|0.073885|2.766385|3.857872|2.481893|3.962643|2.430808|2.157986|2.165190|2.447534|4.751786|17.941873|5.474436|3.968591|2.268705|2.417375|2.144267|1.869249|1.796521|1.948244|13.275680|3.592682|0.078743|2.516533|2.253687|1.971775|2.030647|2.223107|0.140322|0.202577|0.167999|0.213320|0.174145|0.300271|0.500000| |3.118127|4.125708|4.862478|13.531610|8.949800|17.748575|8.912524|5.617006|4.973643|5.656323|4.088282|0.113904|3.371664|4.818111|3.347860|5.518069|3.217471|2.910650|2.760079|2.931701|5.745893|19.084359|5.434486|4.343060|2.247977|2.232056|1.945549|1.757558|1.763396|1.968209|12.319775|4.657051|0.093238|3.576672|2.909937|2.432904|2.387288|2.723305|0.078555|0.081737|0.081300|0.118014|0.116733|0.119609|0.121061|0.500000| |2.333127|2.814669|3.326825|7.648992|5.647615|9.002162|17.700441|8.878504|5.661304|4.953609|7.002254|0.225996|4.954270|6.913119|4.962400|8.540734|4.248612|3.689944|3.186333|3.280840|6.847700|19.522268|5.263975|4.367828|2.347820|2.323161|2.038357|1.852893|1.862709|2.072346|12.988612|6.922779|0.125507|5.310077|3.778466|3.147775|3.113200|3.825362|0.059270|0.063012|0.062695|0.078692|0.078083|0.088026|0.088937|0.215948|0.500000| |2.650476|2.981910|3.906807|7.495443|5.665270|4.967293|5.645784|8.862910|17.661521|9.015286|6.899903|0.139373|6.352344|6.972162|3.845541|6.164144|3.222259|2.651730|2.435748|2.714732|5.858613|17.706539|4.973925|3.786399|2.352313|2.553620|2.319858|2.019783|1.913095|2.037966|14.486063|8.480681|0.219455|4.734964|3.921871|3.384475|3.835372|4.605084|0.064275|0.074541|0.074353|0.078201|0.077975|0.113390|0.114083|0.107817|0.123762|0.500000| |3.979636|4.646261|7.355439|12.494079|8.860835|5.628172|4.959556|5.631597|8.957153|17.775001|4.086557|0.096196|3.739249|4.845879|2.938329|4.702600|2.698199|2.314961|2.227894|2.503834|5.119048|17.333771|5.095780|3.762031|2.246899|2.427401|2.180752|1.894867|1.803360|1.935547|13.556498|5.083258|0.118317|3.403193|2.989850|2.549909|2.683353|2.981295|0.090588|0.111741|0.111958|0.114933|0.115146|0.224782|0.223062|0.124089|0.107615|0.219745|0.500000| |1.785329|1.975263|2.314579|4.546960|3.101458|3.332004|4.249979|5.480372|4.614616|3.491189|8.764811|0.216376|17.679639|12.722246|7.405124|13.504900|4.779804|3.746656|3.077929|3.241631|7.364983|18.861382|4.789669|4.054344|2.575793|2.688034|2.481845|2.245766|2.174660|2.309217|16.069535|9.288416|0.161558|4.652793|3.690091|3.743294|4.687952|7.347350|0.045421|0.050199|0.049067|0.054359|0.052935|0.063901|0.066485|0.080698|0.116632|0.135446|0.086518|0.500000| |2.058307|2.275777|2.757795|5.339037|3.743938|3.777911|4.676758|6.759157|6.596465|4.588374|8.719359|0.174119|17.597014|12.606063|5.811452|9.036384|4.292437|3.322703|2.906347|3.229507|7.424864|19.768741|5.264516|4.148936|2.710591|2.944196|2.693345|2.352141|2.223561|2.358464|16.731150|9.064334|0.188638|4.435843|3.586626|3.437193|4.246663|5.921557|0.051513|0.058449|0.056725|0.062012|0.059973|0.076578|0.081015|0.087912|0.116661|0.218321|0.114371|0.301696|0.500000| |2.167972|2.447189|2.925940|5.839700|4.050341|4.283452|5.163943|6.155793|5.552600|4.482614|6.293827|0.155895|8.990039|26.058036|9.350120|10.858807|7.526460|4.928024|4.316558|5.249568|14.663690|29.562900|7.985698|5.781637|3.807438|4.039164|3.385990|2.881806|2.786830|3.118223|19.233216|5.875118|0.115357|3.455527|2.780510|2.607694|2.939867|3.779895|0.054559|0.062150|0.057963|0.069166|0.063558|0.076940|0.087711|0.101820|0.132160|0.148051|0.108564|0.183377|0.227380|0.500000| |1.577425|1.764456|1.931782|3.871457|2.434058|2.787179|3.184014|3.053319|2.611958|2.372859|3.316483|0.104096|3.568564|6.111052|6.462501|11.553336|8.841400|17.816967|8.445645|5.866260|10.433964|27.273439|5.942238|6.424685|3.300722|2.919583|2.555247|2.477931|2.691181|3.126826|16.772428|3.676885|0.068069|2.515089|2.114845|2.060800|2.170316|2.606719|0.041412|0.044263|0.041924|0.051084|0.047601|0.050684|0.055011|0.076053|0.098654|0.068286|0.059339|0.099709|0.085017|0.114747|0.500000| |1.614407|1.789617|1.913705|3.758614|2.270275|2.501787|2.649073|2.510860|2.282523|2.181367|2.532269|0.074577|2.726942|4.627102|4.060402|6.462402|5.849926|8.434713|17.822869|8.837691|10.435632|42.889814|7.921259|11.894964|4.591662|3.582470|3.005363|2.982309|3.481660|4.484162|19.196871|2.880645|0.055485|1.981768|1.714323|1.651961|1.733698|2.011455|0.042773|0.045870|0.042240|0.052988|0.047633|0.049264|0.055344|0.069751|0.077860|0.059780|0.055841|0.073317|0.069418|0.096688|0.191979|0.500000| |2.074108|2.210025|2.463011|4.484269|2.706034|2.630298|2.673963|2.804135|2.903141|2.844554|2.681484|0.070477|3.131662|5.184516|3.473386|5.086866|3.960419|3.413671|3.823918|5.165724|9.589181|47.385943|13.329140|8.177736|8.916527|17.758912|8.915353|5.660585|4.939445|5.628239|31.646658|3.086047|0.063396|1.996346|1.760823|1.686767|1.846084|2.125140|0.053278|0.062260|0.054177|0.064526|0.055697|0.063238|0.077371|0.068275|0.070025|0.080483|0.077568|0.079357|0.090592|0.127976|0.079832|0.093901|0.500000| |1.724198|1.783297|1.955342|3.484158|2.081886|2.016574|2.072045|2.211478|2.301168|2.224783|2.196839|0.057802|2.578537|3.973720|2.708962|4.188132|2.926093|2.632974|2.839224|3.403221|6.228482|27.829425|6.882311|5.729314|5.653175|8.906409|17.757557|8.922108|5.628517|4.939664|54.030046|2.649976|0.054735|1.715709|1.555507|1.525071|1.684909|1.895107|0.044754|0.051623|0.045885|0.051093|0.045542|0.051659|0.060339|0.052593|0.054881|0.066028|0.061998|0.068389|0.075896|0.090945|0.064607|0.072692|0.213949|0.500000| |1.370925|1.435840|1.524449|2.792201|1.648021|1.670087|1.725168|1.761509|1.737717|1.679737|1.785723|0.049275|2.018970|3.151465|2.380952|3.835948|2.749668|2.778091|3.206313|3.456492|5.495281|27.840687|5.718872|6.847550|5.652788|4.939238|5.627991|8.916424|17.759233|8.911897|53.972867|2.163248|0.043386|1.449402|1.316318|1.302059|1.404437|1.569378|0.036417|0.040077|0.036306|0.041720|0.037538|0.040088|0.045374|0.045054|0.047643|0.048274|0.045533|0.055390|0.055838|0.068077|0.069844|0.089560|0.107354|0.124117|0.500000| |1.527678|1.631526|1.730549|3.232228|1.909216|1.970787|2.027630|2.019234|1.956477|1.902558|2.017302|0.056412|2.252441|3.659730|2.849046|4.487635|3.549510|3.745783|4.896057|5.349743|7.401494|47.354914|8.130266|13.089509|8.901977|5.625762|4.939398|5.662201|8.925404|17.752781|31.654454|2.380608|0.047317|1.606314|1.433334|1.397917|1.493239|1.692045|0.040572|0.044468|0.040005|0.048110|0.042627|0.044809|0.051402|0.053756|0.056537|0.053115|0.050719|0.060724|0.060944|0.080023|0.090347|0.142918|0.124018|0.107352|0.214353|0.500000| |1.827489|2.071450|2.392281|4.901082|3.330343|3.861584|5.068281|5.518887|4.236994|3.446106|7.037709|0.227120|4.734436|5.264824|3.743870|7.457010|2.991194|2.679481|2.289999|2.301313|4.719294|14.040590|3.644081|3.195448|1.822870|1.842363|1.698427|1.572847|1.558709|1.667623|11.459782|12.438658|0.182444|17.605278|8.800176|6.842539|5.826581|7.090793|0.046860|0.049400|0.050976|0.055904|0.058200|0.067815|0.064232|0.096219|0.152694|0.110096|0.082714|0.129499|0.113175|0.093878|0.075648|0.057481|0.054286|0.046656|0.040567|0.045267|0.500000| |2.168034|2.504213|2.987039|6.263296|4.450518|5.112683|6.699339|7.452789|5.772129|4.653632|7.281716|0.193126|4.619435|5.199206|3.476439|6.386631|2.867492|2.529341|2.229444|2.301083|4.728667|14.398420|3.846199|3.250940|1.852697|1.893210|1.731916|1.582659|1.556963|1.670932|11.483849|12.360675|0.223786|17.682135|8.790624|5.498036|4.903163|5.620418|0.054787|0.057999|0.060923|0.066330|0.070772|0.086305|0.078536|0.120484|0.176866|0.140896|0.107613|0.115352|0.117431|0.097427|0.069320|0.055930|0.056741|0.047880|0.040260|0.045093|0.301317|0.500000| |1.787925|1.989042|2.263982|4.474151|2.900497|3.122534|3.596003|3.848322|3.455136|3.026786|4.130463|0.114565|3.209260|3.685637|2.564222|4.859402|2.184287|1.998948|1.783170|1.808117|3.604407|11.508873|3.014525|2.651334|1.516151|1.547239|1.448377|1.345895|1.323981|1.398164|9.978704|7.570261|0.145401|8.990551|17.574947|8.785948|5.522171|4.884781|0.046014|0.047730|0.050993|0.052489|0.056889|0.066445|0.059657|0.079593|0.100200|0.093145|0.076286|0.087395|0.084492|0.069439|0.055971|0.045692|0.045587|0.040250|0.034680|0.037907|0.214046|0.213873|0.500000| |1.933683|2.132279|2.490821|4.820599|3.181550|3.251888|3.722669|4.331321|4.168194|3.536657|4.582996|0.115885|3.599055|3.969818|2.639319|4.859109|2.228838|1.995735|1.794729|1.856028|3.749049|11.935822|3.162610|2.713264|1.589621|1.648824|1.548484|1.423614|1.383599|1.453734|10.574289|9.288067|0.209211|8.869054|17.514769|8.814325|6.801141|5.685117|0.049100|0.051981|0.055725|0.055550|0.060151|0.074665|0.066294|0.079942|0.097584|0.118097|0.090598|0.095943|0.099291|0.075617|0.054890|0.045663|0.049050|0.043471|0.036043|0.039021|0.173227|0.214235|0.304024|0.500000| |1.533395|1.680246|1.897499|3.695546|2.388211|2.571746|3.037389|3.368484|2.984657|2.536879|4.090679|0.117012|3.439251|3.847614|2.738859|5.429114|2.275897|2.088486|1.826546|1.829654|3.665954|11.451693|2.934188|2.635479|1.537031|1.567086|1.484152|1.391898|1.369186|1.433415|10.398357|7.645905|0.135079|6.783907|8.849631|17.530061|8.844914|6.719250|0.039672|0.041658|0.043326|0.045056|0.047169|0.054661|0.051418|0.065760|0.086904|0.083819|0.064692|0.101591|0.088722|0.070225|0.059413|0.046690|0.045587|0.041210|0.036032|0.038835|0.200459|0.139319|0.214855|0.173376|0.500000| |1.549246|1.675866|1.894593|3.611311|2.306245|2.393736|2.728296|3.067586|2.887893|2.498548|3.510157|0.094522|3.036534|3.406238|2.356838|4.495328|2.000116|1.828999|1.634457|1.659775|3.309106|10.617151|2.747090|2.440795|1.437992|1.482439|1.414604|1.321827|1.288746|1.339363|9.960558|6.596953|0.131413|5.509420|8.828151|17.589212|8.845258|5.490473|0.039990|0.042042|0.044317|0.044402|0.047084|0.055565|0.051260|0.060935|0.075206|0.083275|0.065296|0.087334|0.082420|0.063829|0.051276|0.041959|0.043319|0.039662|0.033913|0.036103|0.139653|0.123214|0.208790|0.214862|0.303464|0.500000| |1.500722|1.617763|1.843187|3.502783|2.266941|2.352382|2.752975|3.238635|3.024194|2.513290|4.066960|0.107563|3.869148|4.125952|2.827219|5.477394|2.320092|2.084213|1.832790|1.866826|3.790322|11.758122|3.005379|2.669623|1.622481|1.685572|1.621603|1.514204|1.466197|1.512908|11.434945|7.583147|0.144921|4.912522|5.522228|8.787123|17.574689|8.987692|0.038622|0.041399|0.042474|0.043371|0.044599|0.053186|0.051119|0.059160|0.075933|0.090585|0.065645|0.120709|0.105186|0.075174|0.058322|0.046522|0.049012|0.045589|0.038490|0.040471|0.130533|0.108002|0.123200|0.139008|0.214734|0.209267|0.500000| |1.692173|1.824030|2.117170|3.993331|2.616537|2.641301|3.067181|3.758664|3.684792|3.005451|4.520272|0.111066|4.129946|4.287939|2.804573|5.209629|2.312969|2.045240|1.824071|1.893012|3.871463|12.096083|3.153224|2.723288|1.661753|1.747106|1.671735|1.539124|1.478117|1.529404|11.572248|9.280797|0.207768|5.697011|6.807401|8.835489|17.511811|8.880407|0.043103|0.046610|0.048349|0.048265|0.050186|0.062191|0.058610|0.065065|0.081338|0.114661|0.079172|0.119316|0.118772|0.079951|0.056183|0.046135|0.051566|0.047381|0.038530|0.040668|0.133288|0.127476|0.139153|0.198550|0.173542|0.215942|0.304092|0.500000| |1.717730|1.875094|2.193736|4.222127|2.839324|2.952006|3.625264|4.694322|4.278356|3.269993|6.866140|0.162026|7.458767|6.586393|4.149100|7.826976|3.155954|2.678766|2.309427|2.407573|5.124434|14.821908|3.816300|3.270673|2.044143|2.151307|2.039217|1.864032|1.790276|1.864610|13.774777|12.320881|0.223954|5.609248|4.903415|5.500480|8.870151|17.685453|0.043687|0.047897|0.048104|0.050589|0.050827|0.062469|0.062025|0.071749|0.097468|0.133533|0.083410|0.253620|0.202656|0.114121|0.073060|0.057056|0.063455|0.057323|0.046240|0.049264|0.144499|0.126546|0.107848|0.128181|0.138539|0.123728|0.215238|0.218078|0.500000| 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