Version2.1 2020-12-17T13:57:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)CC(C)(C)c1ccc(cc1)OC[C@@H](C[NH2+]C2CC[NH+](CC2)Cc3ccccc3)O C13147659 RHF 6-31G(d) (6D,7F) CC(C)(C)CC(C)(C)c1ccc(cc1)OC[C@@H](C[NH2+]C2CC[NH+](CC2)Cc3ccccc3)O C01[X(C29H46N2O2)] 231 C1 587 O[C@H](C[NH2+]C1CC[NH+](CC1)Cc1ccccc1)COc1ccc(cc1)C(CC(C)(C)C)(C)C O[C@H](C[NH2+]C1CC[NH+](CC1)Cc1ccccc1)COc1ccc(cc1)C(CC(C)(C)C)(C)C CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](CC2)Cc3ccccc3)cc1 InChIKey=HVPOLBVJXKUOOF-AREMUKBSSA-P InChI=1S/C29H44N2O2/c1-28(2,3)22-29(4,5)24-11-13-27(14-12-24)33-21-26(32)19-30-25-15-17-31(18-16-25)20-23-9-7-6-8-10-23/h6-14,25-26,30,32H,15-22H2,1-5H3/p+2/t26-/m1/s1 InChI=1/C29H44N2O2/c1-28(2,3)22-29(4,5)24-11-13-27(14-12-24)33-21-26(32)19-30-25-15-17-31(18-16-25)20-23-9-7-6-8-10-23/h6-14,25-26,30,32H,15-22H2,1-5H3/p+2/t26-/m1/s1/fC29H46N2O2/h30-31H/q+2 CC(C)(C)CC(C)(C)c1ccc(cc1)OC[C@@H](C[NH2+]C2CC[NH+](CC2)Cc3ccccc3)O C01[X(C29H46N2O2)] 231 C01 587 O[C@H](C[NH2+]C1CC[NH+](CC1)Cc1ccccc1)COc1ccc(cc1)C(CC(C)(C)C)(C)C O[C@@H](CO[C]1[CH][CH][C]([CH][CH]1)C(CC(C)(C)C)(C)C)C[NH2]C1CC[NH](CC1)C[C]1[CH][CH][CH][CH][CH]1 CC(C)(C)CC(C)(C)[C]1[CH][CH][C]([CH][CH]1)OC[C@H](O)C[NH2]C2CC[NH](CC2)C[C]3[CH][CH][CH][CH][CH]3 InChIKey=HOKJBGJIPTXLAA-AREMUKBSSA-N InChI=1S/C29H46N2O2/c1-28(2,3)22-29(4,5)24-11-13-27(14-12-24)33-21-26(32)19-30-25-15-17-31(18-16-25)20-23-9-7-6-8-10-23/h6-14,25-26,31-32H,15-22,30H2,1-5H3/t26-/m1/s1 InChI=1/C29H46N2O2/c1-28(2,3)22-29(4,5)24-11-13-27(14-12-24)33-21-26(32)19-30-25-15-17-31(18-16-25)20-23-9-7-6-8-10-23/h6-14,25-26,31-32H,15-22,30H2,1-5H3/t26-/m1/s1 3124.7182279965 -1383.0710713 1-A 46513.7359 124 463 587 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 4885.6211 79412.7866 81839.7435 0.99999 0.00486 -0.00020 -0.00486 0.99997 -0.00557 0.00017 0.00557 0.99998 1 0.01773 0.00109 0.00106 0.36940 0.02273 0.02205 11.78 14.79 24.48 36.07 59.09 65.06 74.37 78.10 82.68 99.50 112.22 131.32 157.86 167.54 193.42 216.55 231.66 282.37 292.55 323.41 344.35 350.81 357.62 376.03 386.90 398.45 420.40 437.19 445.68 455.35 468.49 475.99 509.97 515.70 534.92 536.94 585.61 596.53 615.79 649.90 655.94 661.94 671.31 675.84 684.36 697.32 715.12 724.95 732.09 751.79 766.56 786.86 810.94 844.26 892.64 920.62 943.30 974.31 981.13 1013.02 1098.02 1112.88 1135.92 1165.88 1189.16 1225.16 1255.68 1261.74 1263.77 1298.22 1310.73 1316.48 1346.51 1358.71 1369.29 1378.07 1400.21 1416.53 1431.21 1432.43 1461.07 1478.84 1481.98 1491.27 1497.65 1511.89 1512.77 1519.06 1542.24 1544.37 1545.45 1567.11 1573.10 1594.12 1597.13 1604.30 1615.82 1617.03 1622.04 1622.44 1657.58 1663.79 1664.02 1666.93 1671.90 1697.27 1717.26 1738.38 1743.45 1755.42 1767.20 1779.80 1802.04 1819.96 1828.78 1847.35 1856.06 1877.26 1893.10 1896.05 1900.69 1909.58 1932.57 1957.44 1970.44 1972.98 1975.03 1998.91 2001.81 2008.10 2016.06 2034.22 2060.80 2066.05 2112.23 2119.43 2127.44 2136.95 2141.90 2148.03 2163.95 2182.37 2207.01 2211.11 2218.05 2230.55 2236.04 2240.66 2245.06 2247.28 2252.14 2261.13 2275.26 2281.64 2288.60 2289.70 2300.97 2319.75 2322.23 2336.10 2340.37 2344.46 2347.39 2349.68 2350.07 2355.06 2355.73 2365.23 2366.25 2366.83 2370.10 2381.71 2384.56 2387.38 2397.15 2400.69 2401.65 2402.51 2409.61 2437.20 2565.23 2566.43 2587.65 2615.44 2632.88 4588.28 4599.88 4610.62 4612.00 4618.02 4623.70 4624.47 4627.26 4631.51 4644.65 4651.61 4682.09 4684.55 4691.67 4695.42 4701.78 4708.03 4708.57 4710.95 4711.26 4719.14 4720.42 4724.53 4725.78 4729.76 4740.62 4751.76 4776.30 4796.00 4799.99 4804.01 4812.60 4829.39 4831.60 4834.06 4862.03 4864.33 4876.54 4891.32 4904.32 4906.36 4936.54 5143.62 5291.81 5310.02 5802.78 0.770842 0.802788 0.803732 0.702899 -1382.300230 -1382.268283 -1382.267339 -1382.368172 3.381955D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE CC(C)(C)CC(C)(C)c1ccc(cc1)OC[C@@H](C[NH2+]C2CC[NH+](CC2)Cc3ccccc3)O C13147659 RHF 6-31G(d) (6D,10F) C1 454.355929 |X|Y|Z| 208.230850 47.425687 30.055114 66.705098 24 6 7 8 21 2 1 |36.858105| |12.370827|36.858105| |7.597194|12.405434|36.858105| |7.688614|12.350026|7.670912|36.858105| |7.389040|12.190484|7.286539|7.729242|36.858105| |5.466853|6.875533|5.770598|4.805155|12.231061|36.858105| |5.803804|5.893055|5.185278|4.080212|7.432287|12.371021|36.858105| |4.303214|5.558003|5.798475|4.173373|7.445032|12.331533|7.572692|36.858105| |4.062512|4.721488|3.994854|3.850251|7.514396|12.267261|7.569729|7.675710|36.858105| |3.291657|3.616536|3.265273|3.022707|4.946686|7.448773|6.368458|6.199008|13.578753|36.858105| |2.731386|2.948509|2.673863|2.591172|3.834260|4.955206|4.429218|4.401651|7.816453|13.844421|36.858105| |2.622739|2.850669|2.529550|2.605170|3.711951|4.361130|3.754578|3.811252|6.764101|7.979007|13.742852|36.858105| |2.948342|3.286536|2.811303|3.064540|4.470024|4.900495|3.940046|4.073673|7.812764|6.925309|7.973931|13.863301|36.858105| |3.703439|4.314573|3.536351|3.866377|6.635449|7.328394|5.157497|5.404316|13.746059|8.057736|6.924509|7.964743|13.655846|36.858105| |2.217276|2.369699|2.139321|2.213829|2.935751|3.317125|2.983329|3.018076|4.543648|5.271703|8.128045|13.816459|7.829787|5.168376|73.516695| |2.065186|2.206278|1.982993|2.121380|2.681413|2.880481|2.579641|2.630303|3.751843|3.987073|5.253039|7.959728|6.699525|4.496337|24.437260|36.858105| |1.787905|1.885180|1.724720|1.815326|2.223731|2.390575|2.204981|2.233507|2.968570|3.227122|4.134665|5.266288|4.409804|3.341815|14.787500|12.514799|36.858105| |1.719749|1.826502|1.693789|1.752842|2.147467|2.333238|2.144407|2.231791|2.873475|3.174768|4.069596|4.935273|4.057293|3.160372|13.290273|8.936772|17.521800|0.500000| |1.639186|1.720759|1.575067|1.687199|1.991163|2.082504|1.927725|1.950662|2.501852|2.623410|3.163122|3.886960|3.575230|2.834771|9.204667|7.498097|12.480627|0.245506|36.858105| |1.477258|1.535276|1.419881|1.499751|1.748664|1.837176|1.733247|1.736580|2.159893|2.293265|2.724165|3.157237|2.866295|2.370132|7.194293|4.990659|7.797548|0.190966|12.609077|53.358707| |1.506636|1.555124|1.436550|1.506380|1.773749|1.880698|1.793806|1.767298|2.219281|2.389970|2.868992|3.282120|2.909642|2.407932|7.579765|5.006355|7.922015|0.187633|9.445727|25.487125|0.500000| |1.425156|1.487928|1.387878|1.450631|1.691220|1.786949|1.682752|1.711487|2.090984|2.236490|2.653981|3.022227|2.718606|2.269638|6.844834|4.562668|7.004699|0.200806|9.189792|25.651045|0.328302|0.500000| |1.368075|1.412562|1.307283|1.392502|1.586339|1.642772|1.559779|1.551737|1.893445|1.976770|2.280252|2.598999|2.440150|2.073201|5.593707|3.776589|4.981391|0.124766|7.400183|17.295221|0.254706|0.254582|36.858105| |1.264883|1.297146|1.209357|1.272461|1.443416|1.502544|1.444961|1.427272|1.710752|1.801443|2.059515|2.276789|2.117599|1.836440|4.809551|3.064496|3.923149|0.102945|4.914621|10.479810|0.202517|0.195179|12.446790|36.858105| |1.176155|1.201429|1.121829|1.186423|1.322978|1.363485|1.315377|1.296155|1.531321|1.593632|1.788199|1.961498|1.860693|1.641299|4.021769|2.539044|3.057268|0.080458|3.744846|6.760149|0.130358|0.128683|7.556330|12.471662|36.858105| |1.137555|1.168730|1.094243|1.162248|1.283350|1.313989|1.257971|1.256674|1.468913|1.515630|1.688574|1.858798|1.785858|1.581722|3.774363|2.404414|2.838866|0.075895|3.531546|6.005560|0.109299|0.118764|6.474810|7.614007|12.724924|53.358707| |1.112344|1.146367|1.078403|1.137799|1.258887|1.294053|1.237322|1.245873|1.445296|1.497633|1.670095|1.828300|1.746443|1.549109|3.717847|2.348934|2.792972|0.076415|3.413131|5.853880|0.105978|0.122076|5.840592|7.044860|9.281072|25.672104|0.500000| |1.208655|1.248595|1.163070|1.249029|1.377782|1.401876|1.329161|1.336571|1.576282|1.612349|1.800090|2.016937|1.961409|1.721217|4.108457|2.696513|3.161492|0.083247|4.168797|6.729597|0.115474|0.128783|7.573166|6.527587|7.707070|17.306545|0.258971|36.858105| |1.305891|1.357743|1.262086|1.351593|1.516231|1.554856|1.463247|1.482391|1.774678|1.828602|2.077487|2.365374|2.271429|1.951758|4.960307|3.356963|4.152006|0.109051|6.029305|10.348590|0.156452|0.195405|12.461738|7.594348|6.514107|10.350104|0.196179|12.465193|36.858105| |1.058615|1.083360|1.016671|1.081547|1.178920|1.199835|1.153557|1.148695|1.326475|1.360071|1.495703|1.631232|1.582740|1.421954|3.247756|2.038472|2.327056|0.062326|2.788203|4.459794|0.084028|0.088343|4.344174|4.918809|7.592255|16.893359|0.258551|7.552460|4.905462|36.858105| |1.011315|1.039224|0.979468|1.041747|1.126853|1.143063|1.094528|1.101511|1.256867|1.283186|1.402356|1.525590|1.489548|1.346563|3.010800|1.884044|2.119751|0.057582|2.510520|3.883908|0.072464|0.078787|3.571944|3.810819|4.979046|10.315426|0.205369|6.169720|4.279703|12.676260|36.858105| |1.006836|1.035884|0.975113|1.045042|1.119805|1.127529|1.076110|1.085754|1.235188|1.250506|1.358085|1.482432|1.464293|1.329421|2.898299|1.821340|2.008939|0.054307|2.378735|3.543516|0.065933|0.071167|3.190229|3.210209|3.958017|7.494541|0.143820|5.451115|3.879620|7.574134|13.702891|36.858105| |0.960894|0.991173|0.937144|1.002530|1.067293|1.072521|1.021778|1.038625|1.168404|1.179912|1.274072|1.384276|1.372085|1.254196|2.684736|1.675174|1.826985|0.049899|2.125916|3.109654|0.058063|0.063320|2.689085|2.683330|3.139919|5.580856|0.113480|4.141647|3.242402|5.029745|7.918922|13.747059|36.858105| |0.924087|0.954337|0.906712|0.962193|1.026827|1.036405|0.988480|1.009251|1.127030|1.143264|1.234338|1.332262|1.312645|1.202631|2.584285|1.598008|1.750731|0.048403|2.008905|2.963329|0.055577|0.061414|2.511737|2.559584|2.941170|5.128392|0.110188|3.637635|2.988325|4.452654|6.863325|7.938766|13.748604|36.858105| |0.927001|0.956360|0.909674|0.959040|1.031568|1.047717|1.002048|1.021186|1.142579|1.167192|1.266259|1.362129|1.329610|1.214328|2.660535|1.638144|1.820523|0.050620|2.083696|3.149500|0.059249|0.066017|2.681624|2.830321|3.290115|5.799048|0.131307|3.821697|3.154160|5.040918|7.914369|6.862102|7.922575|13.724981|36.858105| |0.967680|0.995939|0.943914|0.995662|1.078282|1.098324|1.052694|1.065405|1.204208|1.234779|1.347905|1.454478|1.412193|1.281554|2.866075|1.772776|1.998778|0.055196|2.317924|3.599240|0.067626|0.074985|3.174259|3.467726|4.268192|8.036639|0.186291|4.769449|3.725785|7.606819|13.674257|7.919320|6.867582|7.943492|13.773550|36.858105| |1.757458|1.819862|1.665069|1.734420|2.127339|2.308303|2.193335|2.134550|2.835906|3.151335|4.034965|4.795459|3.920535|3.088536|12.664802|7.900656|13.602825|0.258561|8.236035|10.092128|0.269571|0.177089|4.937359|4.175183|3.189252|3.842407|0.076487|3.019937|3.808205|2.325518|2.075782|1.943971|1.754374|1.683666|1.765225|1.957348|73.516695| |17.617601|8.651390|6.868433|5.517513|6.471207|5.671206|7.040347|4.471367|4.118944|3.451145|2.817273|2.631123|2.876724|3.574304|3.953142|2.040418|1.779364|0.047699|1.618590|1.998569|0.041833|0.039428|1.355380|1.260290|1.168918|1.532266|0.030623|1.189912|1.286827|1.046640|0.997839|0.989593|0.943543|0.909578|0.915433|0.956951|3.139798|0.500000| |17.532020|8.731194|5.496542|6.930723|6.879768|5.091570|5.356049|3.851937|4.097243|3.303624|2.792698|2.734162|3.117289|3.890582|4.112604|2.171334|1.868549|0.049410|1.718957|2.100151|0.043776|0.041075|1.432171|1.319412|1.227553|1.612069|0.032046|1.261531|1.362168|1.101784|1.048980|1.045294|0.994356|0.952918|0.955137|0.999632|3.276755|0.301919|0.500000| |17.549791|8.799715|6.936370|7.166970|5.430430|4.239585|4.458753|3.609158|3.314376|2.778733|2.365106|2.287240|2.545238|3.090891|3.507560|1.858250|1.628835|0.043632|1.508804|1.863122|0.038681|0.036743|1.277062|1.185340|1.108817|1.463859|0.029218|1.140596|1.224731|1.005939|0.963682|0.961583|0.920149|0.885231|0.886371|0.922897|2.847360|0.303602|0.302244|0.500000| |6.936200|8.826818|17.549848|7.175223|5.393374|4.378217|4.153085|4.375404|3.277402|2.762420|2.327068|2.224380|2.455459|2.992014|3.408361|1.797522|1.580429|0.043083|1.458173|1.800144|0.037117|0.035908|1.226901|1.138954|1.062625|1.413471|0.028414|1.101899|1.188277|0.969540|0.935905|0.933758|0.899228|0.869959|0.871205|0.902164|2.720359|0.170229|0.141331|0.208478|0.500000| |5.490108|8.721339|17.551364|6.868411|6.726831|5.538312|4.581978|6.267567|3.980873|3.260552|2.690557|2.560128|2.853381|3.573355|3.853021|2.014413|1.749426|0.048057|1.597295|1.953764|0.040150|0.039141|1.318234|1.216411|1.126857|1.502336|0.030293|1.175950|1.279631|1.023930|0.989779|0.986107|0.950010|0.920532|0.922964|0.955580|2.971142|0.139940|0.122331|0.141086|0.302376|0.500000| |6.915747|8.688347|17.579691|5.516275|6.395235|6.015648|5.986871|6.309236|4.040408|3.415344|2.749088|2.531322|2.741943|3.414365|3.805291|1.956781|1.713683|0.046915|1.553692|1.918160|0.039804|0.038345|1.293619|1.203014|1.113384|1.472543|0.029659|1.144364|1.242768|1.004339|0.965791|0.958030|0.919872|0.892020|0.897749|0.932758|2.966142|0.205130|0.140527|0.171602|0.303539|0.301057|0.500000| |6.926451|8.711723|5.522327|17.528515|7.149170|4.521199|3.877036|3.751038|3.867803|3.020219|2.636082|2.711469|3.258414|4.083970|4.102804|2.238298|1.900237|0.050445|1.776079|2.135689|0.043750|0.041883|1.460907|1.327953|1.239367|1.651209|0.032860|1.309185|1.415981|1.128495|1.084214|1.089793|1.042443|0.996417|0.991536|1.031605|3.226329|0.140167|0.205544|0.174687|0.143979|0.140361|0.122353|0.500000| |5.529742|8.713050|7.002073|17.539896|6.969155|4.589181|3.714293|4.262347|3.783066|2.980084|2.578000|2.613881|3.091708|3.871354|3.959558|2.146569|1.833688|0.049506|1.707106|2.057481|0.041932|0.040785|1.400952|1.276203|1.188940|1.593490|0.031917|1.262144|1.369265|1.088059|1.052275|1.057187|1.017157|0.977402|0.972920|1.007366|3.077873|0.122300|0.140513|0.144674|0.178375|0.206236|0.140841|0.301224|0.500000| |7.103716|8.745487|6.979264|17.556987|5.544128|3.913322|3.538541|3.532850|3.197025|2.614692|2.274056|2.274680|2.614463|3.177539|3.501771|1.896615|1.648173|0.044293|1.544156|1.885959|0.038662|0.037277|1.295759|1.190991|1.116776|1.490795|0.029787|1.172842|1.260541|1.024614|0.988779|0.993323|0.955058|0.917249|0.913145|0.946066|2.816073|0.143947|0.173284|0.220334|0.216275|0.168449|0.142815|0.301985|0.301897|0.500000| |5.521531|8.905606|6.480649|7.672635|17.528518|8.934479|5.499276|7.148027|6.898296|4.634519|3.739164|3.744888|4.651024|6.869366|5.291657|2.762873|2.273099|0.061328|2.045191|2.423801|0.049727|0.048002|1.613483|1.458818|1.336838|1.777074|0.035640|1.409842|1.556425|1.197622|1.149779|1.145755|1.094962|1.053431|1.055840|1.100664|3.791352|0.134163|0.145484|0.124731|0.138217|0.191245|0.151317|0.195887|0.229481|0.149743|0.500000| |7.229185|9.006224|5.471606|7.089223|17.541278|8.872355|6.614472|5.508126|7.276709|4.827454|3.890365|3.905735|4.876822|7.290212|5.480664|2.848416|2.334577|0.061620|2.098598|2.492445|0.051709|0.048739|1.665268|1.507748|1.382461|1.819382|0.036243|1.439630|1.583546|1.227157|1.167896|1.161779|1.102809|1.056470|1.060349|1.111961|3.990110|0.171099|0.222702|0.146905|0.124084|0.138406|0.137019|0.216767|0.168460|0.145004|0.304845|0.500000| |6.570222|6.388563|6.178134|4.217343|6.691851|8.772211|17.620698|6.943236|5.494455|4.777559|3.575116|3.112484|3.269319|4.134624|4.549713|2.258459|1.963110|0.053307|1.740941|2.149191|0.045229|0.042725|1.433708|1.335489|1.224180|1.599060|0.032134|1.237903|1.353363|1.083425|1.031687|1.016284|0.968284|0.938057|0.949543|0.994286|3.468423|0.246979|0.153019|0.141891|0.136349|0.142512|0.221725|0.107007|0.105144|0.104649|0.140349|0.158218|0.500000| |4.401171|4.454339|4.186892|3.332131|5.420309|8.708266|17.591339|6.870140|6.956327|7.143333|4.851689|3.856221|3.810877|4.694319|5.492725|2.608450|2.258597|0.061517|1.950057|2.405841|0.051149|0.047885|1.580144|1.472782|1.333842|1.728869|0.034800|1.334864|1.473880|1.161621|1.100172|1.076565|1.021305|0.991044|1.008709|1.061396|4.038269|0.145104|0.115292|0.100113|0.096654|0.107208|0.135137|0.088679|0.086620|0.082148|0.123171|0.138233|0.305057|0.500000| |6.187381|5.587735|4.548191|4.032427|6.827398|8.722985|17.561827|5.482102|6.791934|5.729323|4.265148|3.741300|3.973628|5.103563|5.330890|2.618632|2.234050|0.059483|1.963595|2.402232|0.050950|0.047199|1.595543|1.476848|1.346976|1.745941|0.034887|1.355755|1.488238|1.177591|1.112632|1.094497|1.035734|0.998617|1.011679|1.065786|3.996091|0.209626|0.173662|0.129229|0.105928|0.110004|0.138156|0.111168|0.099025|0.097805|0.139481|0.196302|0.301390|0.302186|0.500000| |3.842656|5.132364|5.317153|4.202387|6.875035|8.729750|5.489007|17.550415|6.940927|5.521945|4.223744|3.842108|4.225531|5.551577|5.442537|2.713595|2.286649|0.063848|2.006727|2.411130|0.049630|0.048650|1.581291|1.445106|1.312364|1.743153|0.035325|1.369822|1.523932|1.169028|1.125626|1.112467|1.066814|1.036615|1.046521|1.089013|3.809452|0.105952|0.097427|0.091840|0.114648|0.174045|0.147308|0.105070|0.126298|0.097742|0.218000|0.144078|0.141389|0.140025|0.122321|0.500000| |3.607366|4.295603|4.485880|3.383197|5.433617|8.727023|6.865275|17.565462|7.102674|6.965135|4.848793|3.943769|3.958632|4.915815|5.591169|2.673911|2.298653|0.064526|1.980852|2.417646|0.050473|0.048908|1.575503|1.456855|1.315963|1.730538|0.035126|1.345526|1.497682|1.158670|1.109476|1.088436|1.040399|1.014297|1.030562|1.076704|3.932526|0.106812|0.091784|0.085907|0.100019|0.131564|0.139252|0.086687|0.095350|0.081993|0.144829|0.123535|0.170499|0.204160|0.140064|0.302273|0.500000| |4.557625|5.922551|7.254450|4.300011|6.653419|8.702777|6.909165|17.641299|5.523387|4.703725|3.561025|3.143740|3.341460|4.250894|4.588439|2.291829|1.983207|0.055048|1.757610|2.152545|0.044671|0.043340|1.427229|1.321332|1.208414|1.597451|0.032328|1.243712|1.368399|1.079225|1.037457|1.024282|0.982545|0.955811|0.965878|1.005020|3.393622|0.133777|0.107893|0.108500|0.146202|0.220267|0.242500|0.103116|0.120992|0.104016|0.172647|0.136515|0.208072|0.170847|0.140660|0.301788|0.303758|0.500000| |3.224336|3.476023|3.267241|2.846922|4.494479|6.945703|6.877184|6.389292|8.857140|17.760623|9.080440|5.697549|4.983426|5.689263|7.625394|3.344224|2.843046|0.078773|2.346119|2.858543|0.061026|0.057322|1.825686|1.688272|1.500650|1.940203|0.039245|1.502547|1.690692|1.285692|1.214939|1.181599|1.117767|1.087272|1.112276|1.174564|5.031530|0.096857|0.087861|0.076210|0.076926|0.089942|0.098301|0.077523|0.077521|0.069595|0.114516|0.117943|0.145178|0.251849|0.161162|0.147392|0.224085|0.139025|0.500000| |2.430064|2.579162|2.393289|2.280230|3.209835|4.059013|3.846485|3.788448|5.587979|8.918994|17.728479|8.933838|5.670596|4.979589|13.345056|4.857111|4.163792|0.117247|3.135864|3.787037|0.082658|0.076200|2.306839|2.115741|1.821883|2.324314|0.047149|1.800039|2.080808|1.507937|1.409997|1.355507|1.270409|1.236688|1.276604|1.362305|7.523946|0.070314|0.068603|0.059337|0.058627|0.066828|0.069051|0.064053|0.062990|0.056516|0.086771|0.089696|0.089034|0.120959|0.102896|0.100424|0.119260|0.088142|0.218703|0.500000| |2.731469|3.028903|2.588189|2.945677|3.950192|4.029569|3.320323|3.444219|5.617492|4.981336|5.641936|8.876424|17.736084|8.949456|12.414378|7.388163|4.649541|0.115297|3.941087|4.147815|0.084285|0.079252|2.613362|2.219898|1.956701|2.575604|0.051129|2.112091|2.458046|1.672688|1.575226|1.557828|1.456477|1.384413|1.395344|1.482810|7.051513|0.072832|0.081026|0.066604|0.063864|0.073193|0.069110|0.088652|0.083222|0.070329|0.116838|0.121530|0.079028|0.088260|0.094194|0.100957|0.091806|0.081085|0.108072|0.124066|0.500000| |4.023551|4.863506|3.796127|4.604200|7.642626|6.726066|4.724048|5.019823|8.896640|5.680611|4.986423|5.706065|9.047751|17.797140|7.470823|3.930374|2.995603|0.078446|2.641309|3.013785|0.061860|0.058760|1.972291|1.744166|1.576960|2.083978|0.041543|1.674203|1.880192|1.386117|1.318454|1.310942|1.240430|1.185608|1.190253|1.251498|4.899550|0.103138|0.119202|0.093266|0.089525|0.106816|0.097843|0.140204|0.129252|0.101584|0.239664|0.250513|0.110191|0.114410|0.131988|0.147973|0.120494|0.114644|0.124100|0.108109|0.221518|0.500000| |2.055433|2.235780|2.018303|2.178909|2.721129|2.876848|2.510631|2.676811|3.704774|3.799616|4.766478|7.002301|6.691193|4.556316|16.483764|17.540291|8.819491|0.216366|6.691318|6.102332|0.118566|0.117934|3.516746|2.844409|2.401415|3.176888|0.063758|2.655163|3.302951|1.990178|1.868642|1.823472|1.692452|1.615492|1.644917|1.763142|10.119349|0.055892|0.059642|0.051548|0.050796|0.057639|0.054835|0.063716|0.062154|0.053922|0.079825|0.079409|0.061573|0.069764|0.069869|0.078555|0.074863|0.064686|0.088610|0.119909|0.221090|0.113568|0.500000| |2.140537|2.260163|1.997840|2.190819|2.738881|2.873537|2.596832|2.553487|3.706535|3.792835|4.753704|7.008563|6.724933|4.566676|16.540052|17.532705|8.844893|0.174241|6.931401|6.400975|0.132345|0.114314|3.764661|3.031371|2.556319|3.275166|0.064252|2.717671|3.313822|2.057405|1.887513|1.837211|1.679991|1.587389|1.617857|1.755623|12.552749|0.058386|0.063464|0.053446|0.050496|0.055843|0.054466|0.065202|0.060985|0.054388|0.077678|0.082838|0.063106|0.071907|0.074766|0.072563|0.070961|0.062254|0.088354|0.119359|0.223642|0.113860|0.299235|0.500000| |1.598111|1.693338|1.557561|1.675171|1.953024|2.024970|1.852979|1.919752|2.410632|2.492864|2.951739|3.608683|3.421271|2.746942|8.163482|6.506211|8.714586|0.214941|17.649973|12.210414|0.182659|0.225130|6.473379|4.405956|3.517553|4.776048|0.095711|4.298617|6.391741|2.783663|2.575234|2.470485|2.231769|2.109723|2.170869|2.386313|10.346720|0.043611|0.046338|0.041009|0.040118|0.044185|0.042473|0.048871|0.047491|0.042607|0.056390|0.056777|0.046760|0.051802|0.052029|0.055493|0.053923|0.048141|0.062028|0.080487|0.106347|0.072051|0.187516|0.162772|0.500000| |1.681996|1.753243|1.588631|1.729249|2.023921|2.088952|1.941290|1.926936|2.500633|2.576135|3.055619|3.781724|3.606737|2.870466|8.562664|6.963658|8.818450|0.173376|17.630502|12.394037|0.217938|0.181046|7.124646|4.699918|3.751567|4.766981|0.091035|4.207240|5.716212|2.815494|2.504684|2.403949|2.129177|1.982043|2.034855|2.268670|12.819184|0.045943|0.049439|0.043015|0.040954|0.044498|0.043367|0.051045|0.048328|0.043978|0.057492|0.060022|0.048681|0.054093|0.055554|0.054839|0.053845|0.048368|0.063748|0.082677|0.113123|0.075243|0.169169|0.211858|0.298579|0.500000| |1.414098|1.452356|1.334045|1.435568|1.630449|1.676968|1.596526|1.566648|1.933511|2.001345|2.297044|2.638730|2.511574|2.132910|5.614826|3.827907|4.802407|0.114481|7.029120|12.536679|0.220783|0.181179|17.591621|8.842914|6.780459|7.712745|0.134556|6.789479|8.830244|4.134182|3.358777|3.086751|2.587046|2.372703|2.486328|2.916978|8.707425|0.038829|0.041388|0.036648|0.034810|0.037209|0.036593|0.042102|0.039941|0.037100|0.045900|0.047952|0.040701|0.044707|0.045725|0.044212|0.043943|0.040042|0.051123|0.063882|0.075421|0.056652|0.097549|0.111158|0.163901|0.223672|0.500000| |1.289066|1.314071|1.223273|1.281538|1.462924|1.530923|1.484990|1.446849|1.745360|1.851632|2.123881|2.327924|2.142503|1.860729|4.925021|3.072232|3.924217|0.101492|4.621989|9.446042|0.215072|0.170673|8.768914|17.564347|8.965174|7.587157|0.143736|4.896901|5.505159|4.114327|3.237685|2.784333|2.364107|2.262408|2.483118|2.982296|7.961168|0.035822|0.037415|0.033501|0.031978|0.034040|0.033921|0.037156|0.035534|0.033324|0.040797|0.042547|0.038047|0.042211|0.042330|0.040426|0.041139|0.037204|0.048355|0.061073|0.061770|0.048820|0.077401|0.085112|0.110511|0.125381|0.214572|0.500000| |1.229113|1.265246|1.187217|1.238214|1.407218|1.472614|1.414327|1.411895|1.673358|1.773228|2.029239|2.221256|2.049132|1.783380|4.695912|2.944320|3.799427|0.104449|4.567586|9.632952|0.183497|0.211042|8.814617|17.515151|8.852023|9.281384|0.204923|5.696016|6.803792|4.548348|3.725141|3.092487|2.645767|2.593022|2.928686|3.569738|7.053759|0.034085|0.035428|0.032015|0.031043|0.033276|0.032872|0.035711|0.034604|0.032207|0.039595|0.040555|0.036378|0.040204|0.039897|0.039781|0.040221|0.036326|0.046395|0.058403|0.059189|0.046901|0.076816|0.078850|0.117708|0.115119|0.173478|0.302931|0.500000| |1.194359|1.214543|1.128855|1.202208|1.334820|1.368455|1.323661|1.291908|1.534334|1.587147|1.772548|1.950121|1.866188|1.650174|3.965260|2.510313|2.955874|0.076142|3.614881|6.186335|0.121949|0.112949|6.773143|8.765814|17.605766|12.431226|0.181484|7.003061|5.724483|7.052883|4.599070|3.862340|3.035457|2.769838|3.003280|3.793881|5.533916|0.032922|0.034775|0.031298|0.029745|0.031398|0.031075|0.035027|0.033356|0.031463|0.037368|0.038950|0.034218|0.037152|0.037857|0.036257|0.036291|0.033493|0.041436|0.049844|0.054744|0.044227|0.065612|0.071680|0.093189|0.105085|0.198170|0.214698|0.172931|0.500000| |1.118152|1.138990|1.068305|1.121829|1.248406|1.290114|1.251769|1.231002|1.439784|1.503879|1.678947|1.817002|1.717203|1.528761|3.693380|2.283009|2.718669|0.072673|3.186477|5.609764|0.112142|0.110745|5.506402|8.835621|17.641021|12.358104|0.223933|5.618003|4.894679|7.102777|4.776578|3.696595|2.993387|2.877680|3.303390|4.331756|5.107931|0.030960|0.032334|0.029345|0.028160|0.029782|0.029533|0.032445|0.031193|0.029420|0.034949|0.036119|0.032466|0.035364|0.035561|0.034525|0.034809|0.031990|0.039622|0.047808|0.049694|0.040763|0.060000|0.063479|0.083438|0.087703|0.139230|0.214223|0.216016|0.302068|0.500000| 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