Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)[C@H]4CC(=O)N(C4=O)c5c(cccc5C)C)C C23740016 RHF 6-31G(d) (6D,7F) Cc1cccc(c1N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)[C@H]4CC(=O)N(C4=O)c5c(cccc5C)C)C C01[X(C28H33N4O4)] 201 C1 606 Cc1cccc(c1N1C(=O)C[C@@H](C1=O)N1CC[NH+](CC1)[C@H]1CC(=O)N(C1=O)c1c(C)cccc1C)C Cc1cccc(c1N1C(=O)C[C@@H](C1=O)N1CC[NH+](CC1)[C@H]1CC(=O)N(C1=O)c1c(C)cccc1C)C Cc1cccc(C)c1N2C(=O)C[C@H](N3CC[NH+](CC3)[C@H]4CC(=O)N(C4=O)c5c(C)cccc5C)C2=O InChIKey=XBFAEDGPCRGYKQ-VXKWHMMOSA-O InChI=1S/C28H32N4O4/c1-17-7-5-8-18(2)25(17)31-23(33)15-21(27(31)35)29-11-13-30(14-12-29)22-16-24(34)32(28(22)36)26-19(3)9-6-10-20(26)4/h5-10,21-22H,11-16H2,1-4H3/p+1/t21-,22-/m0/s1 InChI=1/C28H32N4O4/c1-17-7-5-8-18(2)25(17)31-23(33)15-21(27(31)35)29-11-13-30(14-12-29)22-16-24(34)32(28(22)36)26-19(3)9-6-10-20(26)4/h5-10,21-22H,11-16H2,1-4H3/p+1/t21-,22-/m0/s1/fC28H33N4O4/h29H/q+1 Cc1cccc(c1N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)[C@H]4CC(=O)N(C4=O)c5c(cccc5C)C)C C01[X(C28H33N4O4)] 201 C01 606 Cc1cccc(c1N1C(=O)C[C@@H](C1=O)N1CC[NH+](CC1)[C@H]1CC(=O)N(C1=O)c1c(C)cccc1C)C O=C1[C@H](CC(=O)N1c1c(C)cccc1C)[N@@H]1CCN(CC1)[C@H]1CC(=O)N(C1=O)c1c(C)cccc1C Cc1cccc(C)c1N2C(=O)C[C@H](N3CC[NH](CC3)[C@H]4CC(=O)N(C4=O)c5c(C)cccc5C)C2=O InChIKey=RXKXJJLANRAFLM-VXKWHMMOSA-N InChI=1S/C28H33N4O4/c1-17-7-5-8-18(2)25(17)31-23(33)15-21(27(31)35)29-11-13-30(14-12-29)22-16-24(34)32(28(22)36)26-19(3)9-6-10-20(26)4/h5-10,21-22,29H,11-16H2,1-4H3/t21-,22-/m0/s1 InChI=1/C28H33N4O4/c1-17-7-5-8-18(2)25(17)31-23(33)15-21(27(31)35)29-11-13-30(14-12-29)22-16-24(34)32(28(22)36)26-19(3)9-6-10-20(26)4/h5-10,21-22,29H,11-16H2,1-4H3/t21-,22-/m0/s1 3772.3229343971 -1596.6460093 1-A 30430.8237 130 476 606 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17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 7 6 8 6 6 1 6 8 7 1 6 6 7 6 6 6 1 6 6 8 7 6 8 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 5614.2591 52516.6361 53626.9765 1.00000 0.00047 0.00065 -0.00051 0.99774 0.06712 -0.00062 -0.06712 0.99774 1 0.01543 0.00165 0.00162 0.32146 0.03437 0.03365 17.91 19.15 28.69 33.95 49.87 60.68 83.44 84.65 100.22 130.47 142.50 173.34 178.97 186.54 196.12 202.78 225.18 226.61 232.13 236.30 245.10 273.86 296.55 337.55 356.48 358.10 366.10 411.38 424.12 471.10 503.86 505.04 510.93 518.81 522.78 537.67 567.08 592.74 652.33 705.07 729.68 744.19 752.22 775.71 783.54 795.49 829.73 830.22 832.66 839.89 848.56 863.94 882.27 892.64 916.68 939.08 988.41 1016.77 1019.38 1034.42 1038.91 1061.16 1149.24 1151.13 1176.07 1183.03 1221.47 1259.55 1266.19 1269.39 1275.96 1313.72 1334.05 1394.09 1426.43 1432.73 1434.54 1446.64 1459.70 1466.04 1493.03 1515.09 1584.23 1584.54 1586.66 1604.37 1612.44 1620.59 1621.96 1623.24 1628.58 1631.30 1638.13 1644.43 1682.19 1686.71 1690.34 1690.80 1694.88 1715.60 1723.03 1730.82 1750.55 1790.97 1791.52 1805.13 1825.71 1837.04 1862.18 1870.82 1881.24 1896.67 1911.21 1912.46 1931.49 1956.54 1976.68 1989.42 1990.34 2006.45 2013.97 2016.61 2040.00 2050.08 2073.75 2084.79 2115.41 2119.49 2159.99 2184.40 2202.64 2213.49 2223.19 2235.40 2238.75 2251.14 2252.15 2257.34 2257.62 2259.46 2302.68 2318.28 2324.50 2325.49 2332.21 2336.53 2349.29 2349.46 2349.80 2354.26 2354.28 2354.99 2355.42 2372.47 2373.36 2376.43 2376.85 2386.50 2389.00 2395.66 2577.15 2580.76 2593.18 2593.74 2862.40 2877.53 2982.51 3008.64 4494.21 4506.79 4526.22 4607.81 4610.98 4613.18 4615.24 4663.27 4665.22 4685.83 4686.24 4691.96 4692.64 4723.40 4730.22 4743.14 4743.44 4746.15 4753.52 4755.02 4773.79 4774.72 4797.44 4829.96 4844.02 4846.65 4852.46 4860.38 4868.02 4874.79 4881.31 4888.03 5280.60 0.623641 0.655046 0.655990 0.556810 -1596.022368 -1595.990963 -1595.990019 -1596.089199 3.326513D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE Cc1cccc(c1N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)[C@H]4CC(=O)N(C4=O)c5c(cccc5C)C)C C23740016 RHF 6-31G(d) (6D,10F) C1 489.250181 |X|Y|Z| 45.093992 38.501222 164.057850 65.795582 28 6 7 24 4 |36.858105| |12.609776|36.858105| |7.562565|13.729940|36.858105| |5.021441|7.914423|13.774575|36.858105| |4.427207|6.822513|7.931916|13.771641|36.858105| |4.973223|7.791483|6.822372|7.914409|13.733398|36.858105| |7.513817|13.698667|8.017583|6.961569|8.018133|13.697467|36.858105| |6.636727|7.825775|5.156820|4.555886|5.152639|7.809516|13.183765|53.358707| |5.376666|5.677346|4.145754|3.745713|4.172457|5.747155|7.614683|18.603998|36.858105| |4.999953|5.335370|4.110566|3.752079|4.116124|5.347377|6.572200|11.308184|16.181406|73.516695| |4.148928|4.112437|3.204714|2.952837|3.259917|4.232953|5.079914|11.004155|12.501489|14.023367|36.858105| |4.427595|4.248132|3.268524|2.960832|3.215042|4.130276|5.108220|11.121732|8.017075|9.655967|12.470323|36.858105| |4.728475|4.166103|3.203948|2.821042|2.953465|3.647559|4.613273|9.161811|6.678570|8.762969|8.847202|17.602995|0.500000| |5.448963|5.744830|4.175478|3.760301|4.177996|5.750731|7.697479|19.041978|8.308371|9.905946|7.967793|12.429698|0.247589|36.858105| |4.820776|5.210280|4.043042|3.726358|4.126237|5.394875|6.526745|11.292794|5.546846|7.493054|5.438382|7.895620|0.181756|16.036959|73.516695| |3.378068|3.309980|2.705684|2.528530|2.759669|3.411950|3.879763|7.213335|5.117214|6.988572|7.333030|12.727887|0.254288|7.654303|12.030814|53.358707| |3.209578|3.285064|2.724327|2.606540|2.913064|3.639877|3.970942|7.184232|4.892393|6.750889|6.469288|9.336204|0.184149|7.619529|13.055415|25.657543|0.500000| |3.226690|3.068025|2.558193|2.365799|2.511817|2.987401|3.401606|5.836163|3.931814|5.649541|4.887990|7.636220|0.209224|6.041151|11.135627|17.081179|0.258985|36.858105| |2.580878|2.507110|2.168429|2.052162|2.186409|2.535391|2.760782|4.492245|3.098375|4.641714|3.755035|4.978737|0.132882|4.271178|8.114844|10.422210|0.199365|12.575105|36.858105| |2.318309|2.240973|1.951060|1.853118|1.973567|2.275787|2.460364|4.007318|2.908270|4.443791|3.634563|4.447336|0.119832|3.611043|6.449889|8.963617|0.164682|7.828299|13.086237|53.358707| |2.354714|2.315019|2.003769|1.920017|2.078466|2.434595|2.606048|4.337518|3.256681|4.948477|4.282656|4.948020|0.124801|3.851109|6.595913|10.418212|0.197691|6.680494|8.059981|17.911349|36.858105| |2.804612|2.728275|2.293840|2.166226|2.350961|2.827595|3.122147|5.514938|4.303018|6.276737|6.387583|7.566516|0.180883|4.987417|7.886489|17.253049|0.257570|7.738097|6.686326|10.645286|12.514917|36.858105| |1.979610|1.926557|1.712963|1.643038|1.742554|1.969654|2.090070|3.292256|2.388143|3.745220|2.863498|3.325098|0.090229|2.862617|5.196192|6.023030|0.118151|5.076484|7.812655|17.783014|7.827051|5.068622|36.858105| |1.909646|1.887270|1.691330|1.639184|1.750153|1.971582|2.060669|3.207402|2.299081|3.613091|2.710199|3.124407|0.082946|2.784685|5.153587|5.621976|0.116402|4.627449|7.156937|12.272161|6.765691|4.506557|17.429147|0.500000| |1.789849|1.740495|1.558050|1.499181|1.587489|1.782532|1.880659|2.943549|2.190757|3.501941|2.624911|2.893858|0.078876|2.476440|4.385946|4.961646|0.096872|3.850906|4.983142|10.293436|6.496025|4.452554|12.446831|0.245848|36.858105| |1.622267|1.570363|1.421418|1.367281|1.433964|1.587588|1.671708|2.567428|1.895855|3.066982|2.207473|2.425721|0.067289|2.133363|3.816863|3.982272|0.078023|3.182996|3.991031|7.090132|4.355532|3.359170|7.920132|0.182604|12.569881|36.858105| |1.482968|1.438452|1.311320|1.265618|1.324827|1.456619|1.525387|2.321379|1.724534|2.821745|1.985646|2.138132|0.059308|1.898824|3.382017|3.418514|0.067399|2.670210|3.206440|5.427874|3.564849|2.870104|5.372721|0.134596|7.889239|16.115066|73.516695| |1.680162|1.616234|1.463228|1.400469|1.459676|1.611309|1.706969|2.610216|1.896998|3.052316|2.186031|2.463621|0.069238|2.192379|3.981797|4.041391|0.078765|3.409421|4.381713|7.283588|4.089992|3.253766|8.096779|0.185229|8.134734|13.742309|14.797675|53.358707| |1.889922|1.815853|1.628181|1.551954|1.622160|1.807295|1.928583|2.982247|2.139746|3.388836|2.490694|2.905125|0.081580|2.568135|4.719764|4.948976|0.095776|4.432095|6.279725|10.398033|5.022820|3.890279|12.405567|0.250254|7.966759|8.277920|9.870698|18.902868|36.858105| |1.980807|1.889409|1.694715|1.605490|1.665465|1.848355|1.986540|3.050805|2.151005|3.394694|2.464165|2.939625|0.083876|2.650748|4.960043|4.918155|0.094764|4.688882|6.481923|8.833000|4.362605|3.634516|7.811010|0.184571|5.385698|5.543871|7.500303|11.380705|16.016691|73.516695| |1.550856|1.486742|1.358814|1.299885|1.343619|1.466510|1.551250|2.337028|1.691720|2.748519|1.910113|2.135638|0.060600|1.938185|3.534286|3.385089|0.066201|2.851288|3.469351|5.314068|3.143701|2.650053|5.088458|0.127594|5.103048|7.652865|11.744670|18.003773|7.692634|11.811205|36.858105| |1.532435|1.453026|1.328498|1.262845|1.295537|1.409433|1.501303|2.257516|1.643346|2.685548|1.846815|2.052727|0.059188|1.855561|3.352335|3.178885|0.061289|2.668198|3.092443|4.695700|2.836646|2.487354|4.123403|0.101089|4.226785|5.745612|9.519668|10.644519|5.739255|9.649052|13.698428|36.858105| |1.412199|1.340057|1.236001|1.176836|1.201057|1.295059|1.374308|2.041704|1.481886|2.440328|1.640046|1.808056|0.052144|1.660986|3.009951|2.745561|0.053354|2.282008|2.579904|3.783301|2.356901|2.113845|3.209475|0.081868|3.258252|4.173701|7.331777|7.016578|4.172960|7.394867|8.007049|13.730021|36.858105| |1.330600|1.273328|1.182282|1.132462|1.157177|1.241550|1.307268|1.926633|1.390258|2.293526|1.526340|1.678961|0.047960|1.564250|2.857794|2.548519|0.050202|2.107617|2.398878|3.449802|2.173663|1.941347|2.952418|0.078129|2.957642|3.751240|6.691374|6.200145|3.757503|6.709032|6.947937|7.914295|13.774524|36.858105| |1.343890|1.296974|1.204433|1.159769|1.191920|1.281079|1.341059|1.977390|1.420820|2.335045|1.563491|1.725552|0.048765|1.614451|2.970566|2.654391|0.052852|2.196873|2.564844|3.678539|2.306008|2.018674|3.255344|0.088628|3.218853|4.159784|7.343744|7.018583|4.175694|7.321257|8.006950|6.828914|7.938001|13.776758|36.858105| |1.444931|1.397716|1.288922|1.241501|1.283925|1.391198|1.457592|2.170148|1.559961|2.544979|1.737861|1.932515|0.054308|1.790361|3.297374|3.037603|0.060521|2.532815|3.066316|4.496846|2.747875|2.333900|4.224054|0.115024|4.140627|5.709159|9.546593|10.652596|5.746964|9.485231|13.698881|7.805631|6.828494|7.913879|13.727294|36.858105| |1.435779|1.406075|1.299937|1.262403|1.315277|1.425865|1.479074|2.196686|1.571295|2.558068|1.748250|1.941711|0.053684|1.817258|3.375521|3.086263|0.062738|2.544934|3.152120|4.559069|2.832405|2.358162|4.394640|0.130200|4.196070|5.417293|8.952028|9.033681|5.460264|8.794512|7.522113|4.979414|4.429987|5.021979|7.563620|12.611967|36.858105| |1.633281|1.531227|1.388777|1.310398|1.341618|1.467595|1.579028|2.398724|1.765828|2.884779|2.005945|2.224571|0.065124|1.968309|3.501650|3.421133|0.064558|2.858202|3.212129|5.025233|3.047078|2.729035|4.170014|0.097512|4.389713|5.483686|8.907971|9.025538|5.447401|9.071764|7.523252|12.612982|7.564194|5.022061|4.430291|4.979855|3.763426|36.858105| |3.759079|4.973351|4.427374|5.021855|7.564740|12.611642|7.513511|9.004841|5.500633|8.923474|4.418283|4.164395|0.097543|5.459572|9.133666|4.921320|0.112054|3.041681|2.646246|3.267455|2.641678|3.044030|2.080628|0.058496|1.888938|1.662442|2.711469|2.271401|1.870137|3.354117|1.504464|1.432251|1.309667|1.258817|1.308071|1.430161|1.480599|1.485465|36.858105| |17.532152|8.815707|5.892475|4.301049|3.958002|4.539063|6.625431|9.003441|5.141730|7.951621|4.285482|4.997887|0.154689|6.234299|10.110437|5.178271|0.098785|3.771242|2.924819|3.497563|2.562278|3.058690|2.168312|0.057844|1.930957|1.748015|2.817943|2.488753|2.082321|3.925339|1.683374|1.662133|1.524898|1.432728|1.447644|1.561982|1.548173|1.773748|3.599515|0.500000| |17.551957|8.828905|5.881131|4.300877|3.966391|4.559186|6.665965|9.092785|6.198316|10.714649|4.635734|4.649792|0.140716|5.257063|7.777290|4.681262|0.089084|3.192376|2.548511|3.186467|2.410430|2.927711|1.989218|0.052872|1.819640|1.641438|2.673601|2.295203|1.886712|3.481091|1.551062|1.539258|1.414070|1.325274|1.334191|1.436264|1.421742|1.655998|3.618404|0.300501|0.500000| |17.611543|8.885408|7.317664|4.781593|3.977215|4.151762|5.571158|6.587405|4.164015|7.185321|3.378144|3.570860|0.106519|4.199063|6.937914|3.902305|0.076002|2.806388|2.307132|2.840663|2.097559|2.442529|1.811825|0.048611|1.648377|1.511915|2.470771|2.137690|1.751967|3.276064|1.464897|1.455587|1.352414|1.276947|1.284375|1.370468|1.357054|1.547425|3.207238|0.302976|0.302671|0.500000| |7.025866|8.933507|17.730425|8.933703|5.648384|4.926730|5.678540|5.683054|3.523775|6.282587|2.827814|2.901266|0.080947|3.547718|6.165117|3.321842|0.067515|2.354876|2.014001|2.479134|1.851015|2.099369|1.612150|0.044082|1.472168|1.354733|2.228922|1.904579|1.549246|2.877907|1.309330|1.287557|1.204393|1.152059|1.168455|1.243245|1.247670|1.346434|3.542776|0.153229|0.152570|0.225835|0.500000| |4.097344|5.640791|8.938037|17.726549|8.937206|5.640967|4.998542|4.933192|3.104217|5.590650|2.533510|2.539145|0.067804|3.113536|5.556410|3.020718|0.063497|2.102663|1.855447|2.294228|1.737474|1.932412|1.512212|0.042013|1.386859|1.274376|2.106885|1.777132|1.437480|2.644001|1.219569|1.186483|1.111808|1.073678|1.098727|1.170381|1.190398|1.226412|4.097796|0.099698|0.099626|0.113831|0.215867|0.500000| |3.542647|4.926765|5.648539|8.932976|17.729938|8.934421|5.678640|5.677449|3.552624|6.293017|2.895528|2.835570|0.072136|3.550446|6.332310|3.418660|0.074413|2.291667|2.039732|2.523729|1.958460|2.178365|1.656530|0.046548|1.516915|1.374142|2.266473|1.897122|1.540108|2.798910|1.285516|1.235672|1.148713|1.111786|1.148439|1.235350|1.272000|1.272755|7.027766|0.090154|0.090336|0.090575|0.124353|0.215865|0.500000| |3.490359|3.619743|2.935593|2.804631|3.182706|4.127468|4.563108|8.988584|9.035865|11.947992|17.553011|8.706066|0.173759|6.597798|8.789725|9.394607|0.188263|4.494043|3.678553|4.944074|4.512931|6.540902|2.900599|0.077479|2.686621|2.231375|3.580464|2.963783|2.465391|4.269554|1.890103|1.808327|1.604712|1.502427|1.550272|1.730289|1.760427|1.945719|4.684355|0.098956|0.105083|0.081114|0.071776|0.067474|0.080490|0.500000| |3.811506|3.614190|2.887282|2.641053|2.841875|3.524540|4.174453|8.047464|8.817803|12.600973|17.645828|8.608482|0.218921|5.734876|7.626076|8.191835|0.142374|4.367869|3.457262|4.753425|4.090404|6.048562|2.782736|0.071924|2.618396|2.210708|3.558062|2.956709|2.441316|4.262646|1.903685|1.861870|1.652068|1.525765|1.550659|1.718065|1.710185|2.051808|3.603124|0.108295|0.122381|0.088566|0.072482|0.063994|0.070845|0.300652|0.500000| |3.263651|2.979288|2.480625|2.257508|2.352067|2.760204|3.198828|5.450249|3.800212|5.555578|4.724283|7.059432|0.229888|5.298018|9.197227|12.374611|0.182105|17.633041|8.871428|9.709517|5.904510|7.090910|4.790179|0.115574|3.794123|3.199620|4.787119|4.702738|4.423956|8.417838|2.922190|2.813548|2.393859|2.170255|2.221813|2.541132|2.482105|3.114142|2.748033|0.106794|0.091296|0.079525|0.064335|0.055984|0.059390|0.115950|0.124340|0.500000| |3.556964|3.407919|2.826780|2.597903|2.745962|3.266403|3.758498|6.304589|3.960414|5.669026|4.563874|7.143157|0.195168|6.871697|14.539534|12.324750|0.225979|17.699648|8.815652|7.670243|4.993641|5.639665|4.162026|0.110448|3.237315|2.780647|4.222672|4.098080|3.823522|7.446695|2.600987|2.442981|2.133935|1.996157|2.081501|2.364017|2.390102|2.569718|3.247386|0.118905|0.094451|0.085467|0.071953|0.063752|0.068956|0.115554|0.110427|0.298561|0.500000| |2.461303|2.364393|2.070886|1.952050|2.049746|2.332409|2.540843|4.016892|2.746267|4.185152|3.205537|4.147716|0.115809|3.724583|7.216866|7.615032|0.146099|9.044885|17.701461|12.439389|5.763120|4.979344|7.265347|0.184911|4.656474|4.032981|5.736305|6.484139|7.249860|15.730227|3.859794|3.422544|2.846769|2.647072|2.836173|3.404040|3.444645|3.484988|2.388452|0.077974|0.066880|0.062060|0.054052|0.049418|0.053197|0.086020|0.083364|0.215549|0.214337|0.500000| |2.488030|2.485998|2.172220|2.090789|2.259620|2.622005|2.783202|4.458299|3.026875|4.547068|3.588382|4.610536|0.116985|4.225776|8.341585|9.397472|0.211560|8.859295|17.403772|12.231546|7.249736|5.867458|6.811718|0.205241|4.546234|3.675500|5.361193|5.361811|5.336408|9.569393|3.176455|2.784965|2.370058|2.254309|2.448955|2.917998|3.120485|2.811508|2.799025|0.077389|0.067591|0.061803|0.055628|0.052571|0.059108|0.100942|0.089657|0.173478|0.213714|0.301934|0.500000| |2.146228|2.102908|1.838344|1.765997|1.902951|2.203034|2.342829|3.837683|2.955614|4.612238|3.835896|4.132385|0.107084|3.267043|5.525493|7.637476|0.145263|4.978865|5.741120|12.392929|17.641580|9.068943|7.203194|0.168533|7.548916|4.740132|7.012229|5.640038|4.735281|7.045816|3.167094|2.878473|2.380210|2.180976|2.302171|2.741452|2.800962|3.134329|2.387284|0.064030|0.061608|0.053620|0.047471|0.044692|0.050100|0.113162|0.106155|0.131703|0.109438|0.127539|0.145901|0.500000| |2.275634|2.290639|2.000357|1.945858|2.135355|2.504308|2.616672|4.294421|3.172372|4.835771|4.045440|4.571615|0.110952|3.798424|6.666888|9.344933|0.208169|5.823745|7.203563|12.219761|17.401662|8.845665|6.817572|0.192946|5.651240|3.965688|5.902341|5.062169|4.480881|7.021364|2.915674|2.589747|2.189949|2.060393|2.216007|2.634008|2.803259|2.696435|2.788840|0.068240|0.064060|0.056342|0.051008|0.048970|0.056427|0.123596|0.103731|0.135105|0.130738|0.145851|0.217480|0.302680|0.500000| |2.742286|2.721531|2.295636|2.192494|2.411614|2.924855|3.173909|5.626155|4.638640|6.846267|7.221857|6.959820|0.158008|4.791526|7.348371|12.301019|0.222645|5.615074|4.998145|7.688736|8.848844|17.661864|4.170761|0.107266|3.892942|2.995628|4.680217|3.866927|3.268094|5.413021|2.357851|2.221323|1.915393|1.773010|1.842722|2.108443|2.145903|2.418812|3.237061|0.080974|0.080477|0.066224|0.057973|0.054266|0.062420|0.235265|0.190300|0.144103|0.126486|0.109472|0.131713|0.217175|0.215420|0.500000| |2.830494|2.667165|2.238708|2.083400|2.219978|2.634951|2.965838|5.192357|4.141645|6.162755|6.056260|7.012058|0.193810|4.546208|7.097355|12.409535|0.181389|7.050230|5.866756|9.635657|8.838635|17.630774|4.762935|0.112734|4.351098|3.369486|5.141324|4.468927|3.869864|6.475154|2.699774|2.597595|2.197351|1.986224|2.034007|2.335210|2.303022|2.941653|2.752463|0.086060|0.083414|0.068908|0.057575|0.051806|0.056847|0.157691|0.177125|0.213842|0.144165|0.130771|0.135141|0.216809|0.173264|0.299935|0.500000| |1.711393|1.683767|1.514581|1.469941|1.567296|1.758456|1.832859|2.855349|2.136650|3.436585|2.550438|2.744854|0.073392|2.376103|4.199428|4.662289|0.093623|3.457111|4.349244|8.315118|6.130333|4.205338|8.590069|0.219902|17.630213|8.878316|12.610887|8.122745|5.767430|7.618987|4.210264|3.527621|2.847129|2.654615|2.914608|3.660983|3.890155|3.581051|1.887651|0.050830|0.048361|0.043769|0.039632|0.037838|0.041868|0.074040|0.070344|0.092462|0.082260|0.110344|0.116915|0.207827|0.161991|0.107048|0.110290|0.500000| |1.846332|1.777913|1.582192|1.512642|1.596544|1.798657|1.915677|3.026167|2.289940|3.668382|2.785241|3.033434|0.083844|2.528101|4.388783|5.123299|0.096866|3.891119|4.705454|9.901007|6.659520|4.834397|8.770764|0.174713|17.555313|9.063565|12.007759|8.955929|6.516150|8.556076|4.543894|4.084885|3.158358|2.792249|2.931219|3.619401|3.507682|4.601495|1.895538|0.055245|0.052674|0.047158|0.041580|0.038784|0.042183|0.078488|0.078868|0.110621|0.089446|0.120539|0.114965|0.236397|0.148246|0.116898|0.138764|0.300506|0.500000| |1.383844|1.305957|1.206460|1.145229|1.163463|1.250966|1.331315|1.972501|1.436519|2.377058|1.582156|1.734071|0.050356|1.593317|2.871855|2.595564|0.050197|2.142803|2.364184|3.448841|2.181360|1.995330|2.833328|0.072042|2.890581|3.551223|6.299485|5.680654|3.546453|6.359393|5.674069|8.932081|17.724764|8.932915|5.650406|4.929467|3.544211|7.026745|1.258518|0.041415|0.038590|0.036975|0.032784|0.030101|0.030873|0.042796|0.044533|0.063081|0.055879|0.071865|0.060170|0.061343|0.056106|0.050476|0.058156|0.070826|0.079801|0.500000| |1.255328|1.201651|1.121617|1.075355|1.095175|1.168717|1.228150|1.797926|1.296895|2.150061|1.412260|1.544526|0.044146|1.449626|2.647706|2.317305|0.045760|1.901828|2.128885|3.026273|1.937952|1.754534|2.532949|0.067632|2.536881|3.107873|5.605745|4.932354|3.111661|5.616893|4.991155|5.639692|8.934600|17.722072|8.935507|5.639472|4.097118|4.097107|1.181311|0.037417|0.034696|0.033627|0.030463|0.028420|0.029276|0.038585|0.039240|0.054377|0.050486|0.064816|0.055962|0.053973|0.051308|0.044849|0.049860|0.064284|0.067202|0.215773|0.500000| |1.275280|1.237468|1.155720|1.117735|1.148840|1.228853|1.278964|1.872712|1.341720|2.211696|1.465497|1.610259|0.045275|1.522339|2.811894|2.462799|0.049462|2.021576|2.343716|3.310842|2.111024|1.858673|2.889804|0.080621|2.842257|3.536238|6.313416|5.682749|3.549467|6.276677|5.674225|4.929750|5.650345|8.933621|17.725594|8.931839|7.027176|3.544438|1.256008|0.038033|0.035066|0.033940|0.031168|0.029511|0.030861|0.040497|0.040227|0.056271|0.053760|0.071473|0.063211|0.058351|0.057123|0.047519|0.051628|0.073253|0.071777|0.124360|0.215787|0.500000| |1.534906|1.507113|1.389398|1.349345|1.409425|1.533199|1.591055|2.367989|1.678333|2.712279|1.869739|2.106063|0.057980|1.981392|3.722246|3.393269|0.069461|2.850356|3.641690|5.106732|3.093965|2.550895|4.973613|0.154251|4.347370|5.191333|8.010435|9.032088|6.277213|10.472291|6.647768|4.550243|3.962671|4.301493|5.890643|8.825009|17.540387|3.608752|1.593849|0.046229|0.042014|0.040153|0.036930|0.035247|0.037806|0.052280|0.050352|0.076015|0.074690|0.112911|0.101570|0.082829|0.085887|0.063836|0.068408|0.110889|0.099605|0.090241|0.099670|0.153064|0.500000| |1.413433|1.389455|1.282939|1.249775|1.308461|1.422611|1.470326|2.192069|1.580554|2.577687|1.769784|1.944839|0.053378|1.806795|3.329964|3.106727|0.063389|2.506090|3.106992|4.649224|2.961507|2.421836|4.601327|0.138481|4.698125|6.251897|10.810688|9.083925|5.257897|7.921419|6.672481|4.563568|3.969142|4.303214|5.886506|8.834700|17.554475|3.621386|1.488942|0.042137|0.039059|0.037000|0.034105|0.032707|0.035228|0.049922|0.048201|0.067609|0.064673|0.091291|0.086111|0.083014|0.082041|0.061726|0.065326|0.125458|0.105968|0.090384|0.099671|0.152752|0.300746|0.500000| |1.347713|1.324466|1.233261|1.202000|1.249845|1.345418|1.388365|2.042538|1.457384|2.385183|1.603873|1.769649|0.048876|1.676728|3.123117|2.772030|0.056687|2.264982|2.735945|3.868093|2.464505|2.095579|3.549693|0.105808|3.410091|4.186652|7.224235|6.586631|4.207895|7.100313|5.572994|4.155342|3.978984|4.781920|7.317997|8.883634|17.603848|3.209809|1.394798|0.040213|0.036969|0.035549|0.032964|0.031625|0.033701|0.044892|0.043526|0.061266|0.059974|0.082580|0.076203|0.067600|0.068456|0.053558|0.056789|0.090175|0.081472|0.090599|0.113822|0.225904|0.302603|0.302437|0.500000| |1.797835|1.673252|1.505497|1.412025|1.444733|1.589560|1.725280|2.643330|1.937563|3.136543|2.217941|2.507749|0.074321|2.195215|3.906853|3.889369|0.072270|3.346787|3.753676|5.858423|3.410864|3.079895|4.675963|0.105924|4.610197|5.297160|8.031318|9.105585|6.307024|11.021289|6.680335|8.831539|5.874167|4.295482|3.964252|4.561600|3.619367|17.550175|1.602535|0.054757|0.050602|0.047097|0.040479|0.036541|0.037870|0.059179|0.062930|0.103862|0.082528|0.115227|0.088327|0.095389|0.082162|0.074183|0.093530|0.101981|0.136191|0.152330|0.099480|0.090270|0.100676|0.095873|0.085430|0.500000| |1.575758|1.469158|1.338072|1.259305|1.281549|1.394020|1.502224|2.266128|1.671445|2.751188|1.877789|2.064219|0.060872|1.839937|3.262383|3.102916|0.058551|2.566846|2.793477|4.249335|2.654244|2.448030|3.393208|0.081511|3.544318|4.219967|7.171306|6.582410|4.207164|7.316157|5.573502|8.884405|7.318361|4.781805|3.979119|4.155497|3.209727|17.601752|1.401597|0.047374|0.044451|0.041761|0.036233|0.032839|0.033761|0.050330|0.053652|0.078171|0.065054|0.083749|0.068589|0.075679|0.065815|0.061010|0.073721|0.083400|0.104144|0.225882|0.113816|0.090601|0.085313|0.085475|0.078658|0.302298|0.500000| |1.604701|1.511040|1.368473|1.295323|1.332409|1.462034|1.568197|2.393888|1.782265|2.919720|2.043673|2.233349|0.064867|1.954563|3.444272|3.448257|0.065075|2.802590|3.149601|5.133270|3.202003|2.833741|4.306637|0.099489|4.948599|6.310732|10.688135|9.000227|5.204349|8.077081|6.646477|8.834560|5.905817|4.310889|3.969659|4.555373|3.612370|17.546265|1.490351|0.048103|0.045485|0.042080|0.036738|0.033645|0.035175|0.055484|0.058489|0.084284|0.069152|0.091805|0.077072|0.094533|0.078115|0.070342|0.085179|0.111560|0.150537|0.153501|0.099888|0.090398|0.095208|0.100837|0.085395|0.300718|0.302523|0.500000| |3.609754|4.550362|3.965708|4.306872|5.897831|8.826937|6.639845|8.994285|6.353405|10.737112|5.002268|4.311224|0.099889|5.229132|8.157606|5.008728|0.112334|2.993956|2.603526|3.294112|2.722936|3.198899|2.089136|0.058301|1.922581|1.680459|2.748695|2.273425|1.861243|3.305059|1.499833|1.431681|1.305532|1.249800|1.295543|1.418350|1.463738|1.494706|17.542202|0.095021|0.100793|0.085360|0.090326|0.099808|0.153245|0.153815|0.112862|0.076030|0.086247|0.064700|0.075630|0.069145|0.079431|0.097526|0.080417|0.053606|0.054059|0.034904|0.032551|0.034468|0.043538|0.041113|0.038199|0.044716|0.039186|0.041930|0.500000| |3.609211|4.550062|3.960809|4.298092|5.882528|8.826964|6.654386|9.042650|5.291530|8.021057|4.628913|4.640521|0.105297|6.293850|11.171816|5.704584|0.136412|3.484343|3.032394|3.668023|2.975358|3.407216|2.313872|0.065618|2.066978|1.803556|2.918412|2.471322|2.057883|3.693384|1.623915|1.533355|1.394589|1.341850|1.402393|1.543962|1.608682|1.584162|17.542865|0.100233|0.095617|0.085245|0.090206|0.099584|0.152711|0.138703|0.102399|0.084820|0.104495|0.075022|0.091054|0.073213|0.088834|0.099596|0.083428|0.057378|0.057159|0.037031|0.034837|0.037368|0.048474|0.044927|0.041949|0.047651|0.041246|0.044094|0.300172|0.500000| 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