Version2.1 2021-01-10T16:24:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2=[NH+][C@H]3[C@H](CCCC3=c2c1)NC[C@@H]4[C@H]5C[C@H]6C(=C)CCC[C@@]6(C[C@H]5OC4=O)C C63362038 RHF 6-31G(d) (6D,7F) Cc1ccc2=[NH+][C@H]3[C@H](CCCC3=c2c1)NC[C@@H]4[C@H]5C[C@H]6C(=C)CCC[C@@]6(C[C@H]5OC4=O)C C01[X(C28H37N2O2)] 201 C1 554 O=C1O[C@H]2[C@@H]([C@H]1CN[C@H]1CCCC3=c4c(=[NH+][C@@H]13)ccc(c4)C)C[C@@H]1[C@](C2)(C)CCCC1=C O=C1O[C@H]2[C@@H]([C@H]1CN[C@H]1CCCC3=c4c(=[NH+][C@@H]13)ccc(c4)C)C[C@@H]1[C@](C2)(C)CCCC1=C CC1=CC2=C3CCC[C@H](NC[C@@H]4[C@H]5C[C@H]6C(=C)CCC[C@]6(C)C[C@H]5OC4=O)[C@@H]3[NH+]=C2C=C1 InChIKey=BFHXGLVJDKSRTN-BRBUTVNVSA-O InChI=1S/C28H36N2O2/c1-16-9-10-23-19(12-16)18-7-4-8-24(26(18)30-23)29-15-21-20-13-22-17(2)6-5-11-28(22,3)14-25(20)32-27(21)31/h9-10,12,20-22,24-26,29H,2,4-8,11,13-15H2,1,3H3/p+1/t20-,21-,22+,24+,25-,26-,28-/m1/s1 InChI=1/C28H36N2O2/c1-16-9-10-23-19(12-16)18-7-4-8-24(26(18)30-23)29-15-21-20-13-22-17(2)6-5-11-28(22,3)14-25(20)32-27(21)31/h9-10,12,20-22,24-26,29H,2,4-8,11,13-15H2,1,3H3/p+1/t20-,21-,22+,24+,25-,26-,28-/m1/s1/fC28H37N2O2/h30H/q+1 Cc1ccc2=[NH+][C@H]3[C@H](CCCC3=c2c1)NC[C@@H]4[C@H]5C[C@H]6C(=C)CCC[C@@]6(C[C@H]5OC4=O)C C01[X(C28H37N2O2)] 201 C01 554 O=C1O[C@H]2[C@@H]([C@H]1CN[C@H]1CCCC3=c4c(=[NH+][C@@H]13)ccc(c4)C)C[C@@H]1[C@](C2)(C)CCCC1=C O=C1O[C@H]2[C@@H]([C@H]1CN[C@H]1CCCC3=[C]4[C]([NH][C@@H]13)[CH]=[CH][C](=[CH]4)C)C[C@@H]1[C@](C2)(C)CCCC1=C CC1=CC2=C3CCC[C@H](NC[C@@H]4[C@H]5C[C@H]6C(=C)CCC[C@]6(C)C[C@H]5OC4=O)[C@@H]3N[C]2C=C1 InChIKey=CXNPFIRXUXCMAJ-BRBUTVNVSA-N InChI=1S/C28H37N2O2/c1-16-9-10-23-19(12-16)18-7-4-8-24(26(18)30-23)29-15-21-20-13-22-17(2)6-5-11-28(22,3)14-25(20)32-27(21)31/h9-10,12,20-22,24-26,29-30H,2,4-8,11,13-15H2,1,3H3/t20-,21-,22+,24+,25-,26-,28-/m1/s1 InChI=1/C28H37N2O2/c1-16-9-10-23-19(12-16)18-7-4-8-24(26(18)30-23)29-15-21-20-13-22-17(2)6-5-11-28(22,3)14-25(20)32-27(21)31/h9-10,12,20-22,24-26,29-30H,2,4-8,11,13-15H2,1,3H3/t20-,21-,22+,24+,25-,26-,28-/m1/s1 3303.6562558465 -1340.3124399 1-A 20229.4492 117 437 554 |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| -20.70261 -20.65318 -15.74615 -15.66461 -11.47994 -11.46257 -11.42586 -11.41954 -11.40053 -11.39317 -11.38651 -11.38167 -11.37634 -11.37268 -11.37160 -11.37111 -11.36419 -11.34590 -11.34026 -11.33958 -11.33514 -11.33039 -11.31014 -11.30795 -11.30517 -11.30496 -11.29797 -11.28262 -11.28102 -11.27829 -11.27392 -11.27293 -1.57463 -1.47551 -1.46056 -1.34291 -1.28841 -1.26070 -1.23592 -1.20304 -1.18707 -1.17831 -1.15189 -1.13812 -1.12200 -1.11137 -1.09182 -1.06461 -1.06177 -1.01926 -1.00254 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0.99998 0.00574 0.00339 -0.00573 0.99998 1 0.01614 0.00275 0.00251 0.33621 0.05740 0.05232 23.78 30.00 58.12 62.49 99.10 109.58 144.03 169.11 192.72 196.95 212.79 231.92 243.30 257.62 277.38 282.31 313.61 320.30 375.93 398.51 415.99 436.59 453.71 462.79 481.26 496.01 515.59 537.25 542.14 590.05 619.18 642.61 651.27 664.27 688.89 693.99 711.41 724.90 773.96 782.70 806.66 831.56 846.77 867.40 885.17 939.57 951.40 991.00 1005.04 1029.84 1075.96 1084.31 1106.54 1121.45 1134.17 1181.22 1187.07 1204.84 1211.30 1216.32 1253.03 1255.88 1284.84 1314.53 1323.25 1340.77 1359.57 1363.07 1368.05 1404.22 1420.22 1422.00 1437.46 1446.63 1467.56 1498.16 1512.61 1523.72 1526.08 1542.99 1566.38 1580.39 1608.38 1618.97 1624.52 1636.24 1639.80 1648.08 1650.70 1661.24 1681.19 1691.26 1703.54 1715.48 1719.65 1739.42 1765.00 1776.22 1780.18 1818.31 1835.70 1838.19 1854.41 1860.74 1867.96 1898.43 1912.40 1923.51 1932.59 1940.52 1968.35 1978.30 1992.32 2009.41 2012.60 2023.78 2029.86 2037.91 2082.85 2094.85 2100.23 2107.99 2110.29 2131.58 2135.29 2153.46 2155.43 2163.60 2172.39 2179.52 2182.74 2190.51 2201.21 2207.26 2211.93 2221.81 2242.39 2246.11 2257.44 2265.29 2268.47 2272.35 2301.56 2302.66 2324.43 2329.75 2336.11 2347.88 2351.36 2352.36 2353.62 2358.41 2365.39 2366.06 2376.64 2376.84 2390.10 2397.17 2441.15 2510.25 2564.81 2680.41 2702.09 2863.86 4512.70 4574.68 4583.89 4605.47 4608.28 4612.06 4620.13 4620.21 4627.66 4630.11 4638.87 4639.67 4645.71 4652.14 4656.05 4670.76 4672.18 4680.92 4683.96 4690.76 4695.81 4698.93 4702.09 4705.42 4727.77 4729.29 4736.54 4743.50 4753.13 4771.52 4807.42 4859.74 4884.59 4905.27 4910.25 5432.85 5487.39 0.655679 0.681830 0.682774 0.599075 -1339.656761 -1339.630610 -1339.629666 -1339.713365 2.807278D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE Cc1ccc2=[NH+][C@H]3[C@H](CCCC3=c2c1)NC[C@@H]4[C@H]5C[C@H]6C(=C)CCC[C@@]6(C[C@H]5OC4=O)C C63362038 RHF 6-31G(d) (6D,10F) C1 433.285504 |X|Y|Z| 50.515829 29.019345 129.751193 57.509838 28 6 7 8 25 2 1 |36.858105| |12.634650|36.858105| |7.495394|13.070004|36.858105| |4.987993|7.647937|14.093291|36.858105| |4.403273|6.748171|8.076022|13.420340|36.858105| |3.385743|4.624421|5.262883|7.721355|14.511649|53.358707| |3.005391|3.927246|4.638957|6.792425|9.251087|25.847636|0.500000| |3.108235|4.084924|4.160043|5.202877|8.395995|17.910192|0.244548|36.858105| |2.831849|3.602538|3.654756|4.445897|6.453805|12.487264|0.200258|17.512733|0.500000| |2.634158|3.283866|3.331627|3.992512|5.489432|10.221621|0.186902|12.342553|0.247305|36.858105| |2.358538|2.884195|3.000432|3.625283|4.722704|9.060094|0.187095|8.966249|0.225826|17.531610|0.500000| |2.444741|2.943769|2.846458|3.211391|4.184301|6.794319|0.123542|7.672863|0.193289|12.380100|0.246039|36.858105| |2.741115|3.285787|3.008608|3.247816|4.201025|6.139371|0.107282|6.483424|0.157802|7.447598|0.152168|12.437513|36.858105| |3.289257|4.082233|3.571124|3.794246|5.110540|6.979174|0.114611|7.417586|0.183949|6.256995|0.132979|7.464521|12.338381|36.858105| |3.761019|5.120926|4.666136|5.306156|8.465297|11.261185|0.162296|12.713030|0.250899|7.513998|0.154475|6.637396|7.694217|12.774806|36.858105| |4.979085|7.909992|6.910617|7.668857|13.201097|11.443505|0.164144|8.194046|0.176822|5.421753|0.121898|4.603458|5.181615|7.313883|14.069807|36.858105| |7.591230|14.186944|7.902765|6.620915|7.631355|7.184795|0.117472|5.071132|0.121287|3.915787|0.092012|3.578080|4.192696|5.688449|7.420653|13.197334|36.858105| |2.724750|3.383247|3.470542|4.120992|5.362748|8.935821|0.172333|7.733735|0.156839|13.116861|0.250060|7.711499|6.271911|5.198955|6.209866|5.172846|3.924906|53.358707| |2.304886|2.745378|2.850278|3.306270|3.936357|6.346059|0.133479|5.064281|0.116704|7.698384|0.201674|5.831945|4.688626|3.827134|4.224735|3.725707|3.049599|17.838680|36.858105| |2.093141|2.471879|2.650080|3.134553|3.601500|5.999125|0.137515|4.449400|0.108720|6.075375|0.193511|4.550816|3.610870|3.147293|3.543077|3.226491|2.665738|10.142280|12.283151|36.858105| |2.009779|2.372675|2.528787|2.997825|3.502575|6.027159|0.138489|4.654646|0.118905|6.504894|0.240616|4.901150|3.668288|3.195901|3.560824|3.157183|2.582427|9.006818|8.793897|17.597156|0.500000| |1.841861|2.115452|2.257647|2.588274|2.841387|4.470010|0.100630|3.277028|0.082749|4.129126|0.126078|3.467973|2.908150|2.552555|2.778848|2.594819|2.237234|6.648723|7.352327|12.390095|0.242614|36.858105| |1.782481|2.027098|2.124445|2.388303|2.627356|4.046516|0.088286|3.050622|0.077089|3.883309|0.114494|3.444477|2.935392|2.516643|2.665543|2.469674|2.157323|6.319543|7.163737|8.699654|0.188772|17.552276|0.500000| |1.648853|1.874889|2.003251|2.286815|2.485325|3.919827|0.088844|2.876754|0.075572|3.490971|0.110826|3.027678|2.525649|2.255393|2.430592|2.269074|1.971877|5.115752|4.928804|7.495140|0.205199|12.395722|0.245698|36.858105| |1.502203|1.680471|1.795152|2.013828|2.132962|3.261601|0.073107|2.361590|0.062349|2.751174|0.084207|2.453957|2.126654|1.927162|2.059735|1.959603|1.742879|4.052613|3.720551|4.906487|0.129542|7.476159|0.182458|12.458662|36.858105| |1.470470|1.634932|1.728759|1.917383|2.032916|3.070345|0.067693|2.250816|0.059111|2.640850|0.079206|2.406650|2.111274|1.892608|1.996660|1.895884|1.699926|3.948178|3.675427|4.537079|0.117020|7.036427|0.200588|8.978436|17.433799|0.500000| |1.361327|1.510602|1.607151|1.789664|1.887990|2.873603|0.063980|2.092916|0.056384|2.388279|0.073413|2.178432|1.896370|1.734838|1.836457|1.745964|1.564118|3.393863|2.973295|3.732060|0.104636|4.854733|0.124786|7.406849|12.539871|0.252183|36.858105| |1.336698|1.486307|1.577928|1.762365|1.873396|2.878465|0.064083|2.115338|0.057920|2.404681|0.075195|2.208887|1.900151|1.743409|1.839639|1.734809|1.546346|3.312656|2.839723|3.555550|0.105025|4.268399|0.109013|6.477270|7.559819|0.166078|14.417325|36.858105| |1.257918|1.379967|1.464181|1.609446|1.675288|2.502210|0.055163|1.814012|0.048838|2.033155|0.061174|1.878887|1.672917|1.542260|1.623435|1.559518|1.417848|2.907773|2.497594|2.980110|0.081772|3.759421|0.100698|4.867777|7.529553|0.196444|12.592716|7.680203|36.858105| |1.275495|1.395128|1.493304|1.639207|1.680421|2.485868|0.055081|1.769423|0.047332|1.952675|0.058177|1.781526|1.605001|1.496967|1.591705|1.550612|1.418246|2.827654|2.401115|2.854433|0.076468|3.559548|0.093313|4.300133|6.419843|0.163750|7.571851|5.325113|12.418715|36.858105| |1.392222|1.529398|1.645341|1.812377|1.852130|2.733919|0.060837|1.928535|0.050834|2.142494|0.063323|1.926749|1.740401|1.618340|1.734708|1.698886|1.551042|3.185646|2.755425|3.304774|0.085108|4.314879|0.111763|4.898799|7.573603|0.198081|6.533901|4.587896|7.534558|12.445549|36.858105| |1.538901|1.716410|1.860431|2.087332|2.157904|3.249800|0.073567|2.279574|0.059658|2.575662|0.077368|2.256763|1.998521|1.847976|2.006060|1.952390|1.751743|3.865630|3.440249|4.440145|0.112047|6.243767|0.147067|7.458172|12.229060|0.248075|7.515445|5.285927|6.353344|7.403414|12.331546|36.858105| |1.692064|1.894796|2.059401|2.309739|2.377725|3.540464|0.079830|2.459840|0.062879|2.797146|0.081879|2.416704|2.168157|1.997373|2.185485|2.146430|1.928523|4.410539|4.023260|5.048007|0.117089|7.316617|0.173220|6.447276|7.587772|0.198794|4.928030|3.880906|4.373949|4.898774|7.633432|12.356628|36.858105| |1.906071|2.178792|2.370930|2.712649|2.864544|4.361379|0.099243|3.033362|0.075683|3.578709|0.104678|2.973506|2.617146|2.376110|2.638301|2.562648|2.248900|5.950003|5.868487|8.013092|0.161629|12.408472|0.245329|7.440212|6.460257|0.168861|4.297651|3.651428|3.593980|3.707093|4.892377|7.296895|12.523226|36.858105| |2.001705|2.281034|2.461124|2.775199|2.918556|4.326948|0.095943|3.024002|0.074208|3.559138|0.099808|2.995479|2.710551|2.448225|2.705877|2.650693|2.352459|6.219898|6.138524|6.880174|0.138935|8.805226|0.223146|5.489144|4.962771|0.139912|3.558341|3.076008|3.112754|3.217079|4.171098|5.456333|8.975907|17.575365|0.500000| |2.088241|2.432165|2.731218|3.238837|3.383845|5.258512|0.125986|3.448910|0.085286|3.916177|0.115885|3.081064|2.698244|2.525298|2.913677|2.883895|2.485329|6.422574|5.706582|8.168985|0.170324|8.128135|0.162918|6.060437|5.027098|0.123621|3.731268|3.358603|3.125950|3.271683|4.080799|5.820771|7.750498|13.202669|0.261520|73.516695| |2.241646|2.677328|2.999361|3.679321|4.067775|6.794172|0.170061|4.441942|0.107531|5.250190|0.161279|3.810530|3.198819|2.976355|3.523787|3.395260|2.803415|8.620558|7.495108|12.534989|0.249584|8.025336|0.161178|5.956914|4.441244|0.109993|3.455643|3.271503|2.837037|2.850372|3.354796|4.557400|5.340307|8.373134|0.193257|25.812505|36.858105| |2.452515|3.000677|3.471280|4.504916|5.027864|8.949089|0.257561|5.219711|0.125425|5.574097|0.170784|3.866409|3.270637|3.181191|3.955554|3.897577|3.125610|8.413418|6.015864|7.841817|0.196690|5.393388|0.119554|4.537838|3.575665|0.089096|2.962260|2.888803|2.483793|2.507893|2.865176|3.695744|4.127098|5.577664|0.139382|15.377762|15.935182|73.516695| |1.563280|1.750992|1.928054|2.189777|2.238253|3.395200|0.078488|2.325257|0.061476|2.555714|0.077800|2.200925|1.942842|1.832851|2.020286|1.984312|1.772723|3.738811|3.179638|4.165688|0.109294|5.079054|0.115449|6.137212|7.397932|0.152134|6.149856|5.065560|5.156536|6.130736|7.561169|12.366897|7.529406|5.842659|0.124590|10.462047|4.688649|7.123609|36.858105| |17.551079|8.862444|6.721691|4.617425|3.977315|4.261754|0.078353|2.850256|0.073844|2.408007|0.060917|2.235893|2.459090|2.936156|3.340955|4.291040|5.920168|3.333077|2.099492|1.943163|0.052249|1.720215|0.046056|1.559294|1.427158|0.038662|1.303083|1.284327|1.207129|1.226027|1.330614|1.465000|1.595821|1.779638|0.051419|3.478467|2.091904|4.090222|1.500117|0.500000| |17.603408|8.863325|5.513600|4.114379|3.905512|4.234389|0.076363|2.979855|0.076035|2.557952|0.063264|2.442560|2.808378|3.400058|3.699145|4.675405|7.225732|3.573124|2.225292|1.999021|0.053552|1.765593|0.047890|1.583175|1.442789|0.039426|1.311527|1.290046|1.213457|1.223862|1.331041|1.465878|1.606521|1.807114|0.052798|3.469945|2.098597|4.030684|1.478409|0.301653|0.500000| |17.550753|8.861568|6.729133|4.616430|3.971929|4.257392|0.078853|2.849800|0.071578|2.488792|0.062229|2.299066|2.554948|2.953729|3.347037|4.287394|5.915503|3.593952|2.273513|2.066665|0.054513|1.840378|0.049590|1.639271|1.505266|0.041063|1.359151|1.325633|1.262392|1.287335|1.412545|1.554438|1.723200|1.931076|0.056829|3.745647|2.225497|4.281134|1.572956|0.302076|0.301617|0.500000| |7.111287|8.782802|17.704777|9.125873|5.705495|5.723554|0.108516|3.404176|0.085195|2.841590|0.072628|2.462910|2.578700|2.975564|3.693475|4.971291|5.672281|4.055382|2.539885|2.405420|0.063608|2.097318|0.054850|1.878073|1.707787|0.045692|1.536392|1.503769|1.411904|1.451312|1.597924|1.789142|1.976911|2.233740|0.064360|4.560225|2.740951|5.564710|1.862936|0.194681|0.141673|0.195388|0.500000| |4.080070|5.492274|8.952104|17.752844|8.752265|9.253803|0.192034|4.548932|0.111470|3.675498|0.096544|2.932262|2.873303|3.228873|4.303799|5.501596|4.822627|5.191546|3.199700|3.170183|0.084056|2.647000|0.066807|2.363163|2.093288|0.054810|1.860727|1.829390|1.673348|1.720046|1.906052|2.203984|2.431042|2.828865|0.079235|6.187202|3.890084|8.721942|2.357613|0.108901|0.095091|0.108925|0.217488|0.500000| |2.299443|2.739682|2.655786|2.987593|3.837064|6.262083|0.115119|6.950641|0.207854|8.840042|0.220297|17.508697|8.806117|6.735679|5.886861|4.174413|3.297490|7.640249|4.594079|3.955995|0.123162|3.106006|0.084831|2.833309|2.314140|0.062544|2.099692|2.165955|1.811317|1.708775|1.821867|2.119131|2.220454|2.668160|0.073377|4.949295|3.403793|6.254186|2.093724|0.059312|0.063955|0.059577|0.064327|0.076479|0.500000| |2.202282|2.591021|2.524361|2.816336|3.506123|5.577803|0.106352|5.553630|0.142333|8.857034|0.211109|17.576449|8.862569|5.469682|4.917737|3.747157|3.056805|9.628536|6.347668|4.816890|0.144197|3.770723|0.107609|3.270694|2.628499|0.072594|2.321501|2.347059|1.992289|1.865731|2.017614|2.363522|2.526732|3.114432|0.087231|5.521987|3.774886|6.485061|2.257580|0.056107|0.061203|0.058371|0.061787|0.072807|0.304537|0.500000| |2.482638|2.875330|2.616345|2.766671|3.429160|4.935102|0.088715|4.868455|0.127509|5.459602|0.123482|8.835959|17.579980|8.857034|5.600646|4.142857|3.577322|6.461111|3.912047|3.126963|0.089024|2.616807|0.074409|2.319524|1.980380|0.055001|1.788865|1.799869|1.589393|1.516155|1.629662|1.848436|1.984313|2.347425|0.067342|4.232367|2.758339|4.955391|1.788840|0.062488|0.071684|0.064450|0.063465|0.068913|0.213821|0.213776|0.500000| |2.835961|3.382506|3.086002|3.291889|4.161742|5.885394|0.104352|5.690033|0.131589|6.761994|0.138556|8.863680|17.594645|8.825776|6.793008|5.087870|4.263840|9.470358|5.183592|3.754798|0.101577|3.054085|0.086918|2.577247|2.184437|0.060837|1.921682|1.898354|1.703940|1.643852|1.802379|2.067987|2.287314|2.787660|0.082160|5.041018|3.316779|5.903987|1.985545|0.069525|0.080674|0.074731|0.073672|0.080768|0.173522|0.215086|0.302996|0.500000| |2.998393|3.625895|3.224615|3.427816|4.483865|6.291791|0.105764|6.568318|0.189774|5.434787|0.124499|6.657400|8.792427|17.504826|9.067414|5.933966|4.819763|5.856763|3.343985|2.873645|0.083037|2.359753|0.064377|2.137060|1.831983|0.049760|1.672042|1.698244|1.486836|1.437180|1.537688|1.748037|1.859874|2.181750|0.061574|4.124929|2.722455|5.201100|1.746806|0.076436|0.086250|0.074271|0.075918|0.082652|0.195370|0.138271|0.217504|0.173585|0.500000| |3.602226|4.344930|3.586181|3.614291|4.596630|5.855197|0.098423|5.472562|0.136954|4.770654|0.106136|5.455612|8.721223|17.602254|8.919092|6.804076|6.242369|5.943684|3.359877|2.776607|0.076948|2.316739|0.063989|2.047589|1.780105|0.048877|1.606481|1.604803|1.444002|1.408849|1.524165|1.721336|1.869073|2.195676|0.063540|4.115050|2.659711|5.009239|1.701089|0.087671|0.107362|0.089058|0.083507|0.084718|0.137882|0.122847|0.208669|0.215317|0.302734|0.500000| |6.936968|9.033407|5.597366|4.821402|5.498805|5.832433|0.098142|4.430221|0.109448|3.594538|0.084552|3.486935|4.302916|5.989235|6.577807|8.736430|17.737270|4.857825|2.830785|2.450866|0.066304|2.085905|0.056608|1.847856|1.641555|0.044783|1.481345|1.466551|1.348486|1.342477|1.461184|1.637283|1.794363|2.075583|0.060461|3.994060|2.511870|4.864775|1.643201|0.151378|0.218276|0.151190|0.124095|0.105326|0.089851|0.083367|0.105169|0.121309|0.141295|0.206396|0.500000| |2.990688|3.813062|4.068718|5.041985|6.600217|10.863320|0.212955|7.715024|0.152063|9.376037|0.203071|5.802514|5.163412|4.794345|6.262635|5.794352|4.317295|25.981625|9.477937|6.860309|0.163242|4.642246|0.118401|3.592784|2.907282|0.077825|2.430044|2.355748|2.099105|2.077996|2.361770|2.871484|3.330169|4.505289|0.131972|9.271534|7.076619|13.288637|2.831242|0.074294|0.078317|0.080982|0.095742|0.129517|0.128306|0.144796|0.111791|0.157791|0.110910|0.115418|0.104677|0.500000| |2.325048|2.732372|2.833504|3.214701|3.677852|5.579794|0.116573|4.244430|0.098420|5.667802|0.144769|4.656507|4.140876|3.468150|3.796621|3.506413|2.979935|12.651227|17.573739|8.775160|0.173337|6.978421|0.202116|4.525012|3.641963|0.102732|2.869671|2.670594|2.470663|2.415709|2.833896|3.486993|4.316780|6.398500|0.212691|10.317814|6.658358|9.407144|3.138317|0.058420|0.062276|0.064761|0.070940|0.086578|0.104563|0.139054|0.098107|0.132989|0.083527|0.087806|0.077077|0.228705|0.500000| |2.126044|2.488512|2.526814|2.861577|3.392007|5.376248|0.110495|4.526201|0.109041|6.978732|0.186421|6.327563|4.916491|3.768809|3.895379|3.342909|2.789692|12.463493|17.585361|8.880431|0.217270|6.595600|0.201122|4.771677|3.624117|0.102002|2.957337|2.854501|2.483975|2.333556|2.628332|3.209067|3.620054|4.914847|0.140780|8.033463|5.515445|8.236635|2.915550|0.054003|0.057818|0.058025|0.062937|0.076448|0.137182|0.219868|0.117991|0.149536|0.092798|0.091880|0.073698|0.182481|0.305257|0.500000| |1.589728|1.802497|1.900108|2.152799|2.369912|3.744467|0.083270|2.837835|0.075643|3.505586|0.112513|3.156212|2.590373|2.276157|2.403500|2.204818|1.915458|4.962343|4.734506|6.571316|0.200039|8.906123|0.222533|17.554832|8.833795|0.213183|6.880642|6.758362|4.574527|3.812049|4.082089|5.450466|4.831428|5.490351|0.124608|8.301679|4.894691|7.029037|4.674357|0.041775|0.042715|0.043673|0.049286|0.061031|0.083024|0.097084|0.066916|0.072631|0.060408|0.057148|0.050321|0.093821|0.117334|0.136732|0.500000| |1.681439|1.923811|2.080417|2.408312|2.613335|4.194250|0.097482|3.018330|0.080239|3.577865|0.117015|3.020555|2.499322|2.276884|2.495296|2.339521|2.015707|5.069965|4.605738|7.247563|0.217285|8.806398|0.174284|17.550382|8.841389|0.174710|6.649892|6.507302|4.453717|4.078154|4.495848|6.780990|5.678530|6.507818|0.134405|11.289892|6.543156|9.165016|6.871202|0.044415|0.044601|0.046226|0.054177|0.070024|0.079788|0.088230|0.063362|0.069848|0.060400|0.057065|0.052060|0.100980|0.114554|0.119881|0.304605|0.500000| |1.404416|1.573811|1.671352|1.882904|2.026041|3.163254|0.070792|2.343040|0.064605|2.691860|0.086157|2.455672|2.070578|1.893338|2.003560|1.870465|1.648563|3.638609|3.116585|4.002291|0.123925|4.609082|0.114890|7.268108|6.804637|0.149352|9.026830|17.729935|5.474168|4.262295|3.959038|4.826075|3.756517|3.756686|0.087404|6.312376|3.604461|5.681432|4.817428|0.037456|0.037646|0.038489|0.043946|0.054190|0.067356|0.072503|0.054262|0.056955|0.051406|0.047952|0.043337|0.071297|0.079306|0.087284|0.226523|0.220230|0.500000| |1.248136|1.378609|1.459067|1.617764|1.710459|2.604940|0.057570|1.916413|0.052893|2.145209|0.066483|1.997476|1.737014|1.605236|1.683655|1.592616|1.430542|2.928126|2.456111|2.971605|0.087685|3.440951|0.089807|4.744212|5.446592|0.129918|9.114490|17.710173|7.051278|4.922156|3.997545|4.264911|3.251846|3.040348|0.073064|5.056149|2.779168|4.470858|4.210246|0.033446|0.033526|0.034364|0.038785|0.046608|0.054903|0.058658|0.046057|0.048022|0.043708|0.041241|0.037830|0.057988|0.064535|0.068869|0.138468|0.133864|0.290527|0.500000| |1.238069|1.353478|1.425816|1.557193|1.624985|2.413091|0.052713|1.764479|0.047321|1.990718|0.059304|1.862268|1.668740|1.526796|1.593562|1.527123|1.394277|2.869487|2.483754|2.889468|0.078449|3.687407|0.103188|4.546675|6.796582|0.210153|8.942249|6.058540|17.484028|8.866336|6.762287|5.576942|4.216176|3.495599|0.086321|5.251551|2.691603|4.170509|4.294055|0.032905|0.033299|0.034577|0.038155|0.044653|0.049627|0.055329|0.044253|0.047473|0.040773|0.039856|0.037008|0.057142|0.069006|0.069520|0.122285|0.110616|0.129761|0.155880|0.500000| |1.187405|1.297821|1.373828|1.504977|1.564841|2.332427|0.051234|1.695703|0.046059|1.882630|0.056693|1.755142|1.566658|1.451901|1.521983|1.461482|1.332900|2.653224|2.237923|2.632431|0.073513|3.180791|0.085404|4.044194|5.498165|0.143349|8.877510|7.348513|17.575663|8.793478|5.490204|4.794320|3.531534|3.020804|0.073879|4.829432|2.518299|4.004801|4.309664|0.031774|0.031871|0.033023|0.036866|0.043435|0.047456|0.051504|0.041574|0.044038|0.039140|0.037804|0.035307|0.053161|0.061035|0.062163|0.109567|0.106835|0.144322|0.224583|0.303050|0.500000| |1.204966|1.308113|1.394246|1.516653|1.547084|2.265966|0.049797|1.616284|0.043277|1.771022|0.052256|1.632495|1.486833|1.390561|1.470289|1.437313|1.325935|2.563888|2.153599|2.490155|0.066624|3.036718|0.081494|3.507984|4.851419|0.132613|5.523706|4.252959|8.829294|17.547768|8.860735|5.445833|4.108327|3.182375|0.079328|5.024381|2.484611|3.938412|4.664257|0.032217|0.032183|0.033866|0.037800|0.044075|0.043546|0.047448|0.039218|0.042372|0.037119|0.036569|0.035000|0.052354|0.060668|0.058453|0.088847|0.092235|0.097324|0.114509|0.217640|0.209812|0.500000| |1.271247|1.391662|1.498658|1.650896|1.683894|2.495559|0.055642|1.761476|0.047382|1.921275|0.057547|1.741721|1.566782|1.474773|1.577444|1.542574|1.409462|2.752771|2.300550|2.755939|0.074756|3.317997|0.084959|4.033682|5.555073|0.133479|6.712464|5.268395|8.839616|17.554071|8.802486|6.599238|4.432260|3.471477|0.083192|5.721635|2.822136|4.494443|6.702733|0.034090|0.033782|0.035573|0.040571|0.048467|0.046700|0.050212|0.041036|0.044318|0.039490|0.038498|0.036943|0.056581|0.063669|0.061620|0.099106|0.112246|0.118874|0.139252|0.174100|0.216042|0.304305|0.500000| |1.373993|1.503164|1.602811|1.751401|1.796330|2.634325|0.057964|1.877898|0.049297|2.102327|0.061476|1.914498|1.741851|1.606578|1.706481|1.666665|1.529163|3.156954|2.758403|3.208899|0.081755|4.257063|0.116408|4.594564|6.882547|0.214258|5.756107|4.118361|6.806359|8.905227|17.499689|8.832182|7.227270|4.764808|0.118275|6.728910|3.156509|4.770658|5.514010|0.036341|0.036647|0.038820|0.043179|0.050682|0.050003|0.056171|0.045503|0.050461|0.042255|0.042207|0.040229|0.064481|0.080128|0.074033|0.109864|0.111901|0.099893|0.100762|0.199725|0.139463|0.218287|0.173944|0.500000| |1.394523|1.525100|1.650872|1.811346|1.825095|2.665287|0.059342|1.856535|0.048844|2.029376|0.059459|1.817939|1.660035|1.560376|1.681754|1.666129|1.532158|3.025910|2.564378|3.021359|0.077385|3.765361|0.097037|4.052381|5.496777|0.144111|4.873250|3.753285|5.488738|8.819315|17.527748|8.800545|6.926821|4.490528|0.109671|6.999395|3.183927|4.931181|7.026597|0.037112|0.036891|0.039486|0.044893|0.053284|0.047750|0.052349|0.043108|0.047842|0.041143|0.041029|0.039990|0.063173|0.073936|0.067137|0.094873|0.107418|0.092840|0.093658|0.139175|0.123136|0.212352|0.213992|0.303753|0.500000| |1.625660|1.802990|1.932287|2.132600|2.199918|3.232994|0.071434|2.286030|0.058453|2.612235|0.075306|2.315766|2.104828|1.921392|2.068810|2.025485|1.840039|4.140039|3.797602|4.436070|0.103909|6.409910|0.174344|5.542179|6.772997|0.209995|4.598122|3.589588|4.317269|4.747270|7.376050|8.864478|17.521245|9.107818|0.232608|10.198663|4.381981|6.204778|5.524569|0.042468|0.043159|0.046153|0.051589|0.061522|0.058903|0.068050|0.053998|0.062202|0.049604|0.050327|0.048004|0.085447|0.116497|0.097883|0.124128|0.129560|0.094983|0.085040|0.122656|0.096341|0.115401|0.113733|0.234541|0.182006|0.500000| |1.721630|1.918902|2.109882|2.357783|2.371536|3.472571|0.078478|2.361549|0.060283|2.610292|0.075499|2.246935|2.048561|1.920330|2.119817|2.120566|1.924695|4.108586|3.576345|4.305887|0.101413|5.454083|0.131911|4.878123|5.496114|0.143344|4.060297|3.329570|3.780047|4.456234|6.749021|8.753562|17.549186|8.942484|0.211614|13.089776|4.923239|7.121798|7.079899|0.045227|0.045101|0.049044|0.056903|0.069815|0.057530|0.064233|0.052009|0.060083|0.049649|0.050275|0.049495|0.088370|0.107526|0.088292|0.107108|0.128628|0.089668|0.079904|0.100239|0.087622|0.107419|0.116493|0.171699|0.200424|0.304286|0.500000| |1.461932|1.629774|1.783733|2.015338|2.067140|3.139316|0.072070|2.174296|0.058374|2.376325|0.072910|2.078299|1.830132|1.730052|1.890863|1.846891|1.654041|3.389834|2.840761|3.650911|0.099980|4.316654|0.101453|5.559985|6.809808|0.139898|6.927192|5.989809|5.783091|6.708181|6.737522|8.711358|5.468600|4.540198|0.101330|8.108051|3.947061|6.223695|17.606595|0.039165|0.038545|0.040681|0.047919|0.060034|0.055660|0.059273|0.047185|0.051470|0.046240|0.044579|0.042803|0.070495|0.076731|0.073938|0.125370|0.177373|0.152094|0.140473|0.125401|0.139365|0.137820|0.229810|0.137876|0.169132|0.123135|0.141972|0.500000| 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