Version2.1 2020-12-17T00:23:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+](CCCO)Cc4ccc(c(c4)OC)OC)C C08918357 RHF 6-31G(d) (6D,7F) C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+](CCCO)Cc4ccc(c(c4)OC)OC)C C01[X(C27H40N1O5)] 213 C1 575 OCCC[NH+](C[C@H]1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)Cc1ccc(c(c1)OC)OC OCCC[NH+](C[C@H]1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)Cc1ccc(c(c1)OC)OC COc1ccc(C[NH+](CCCO)C[C@@H]2[C@H]3C=C4[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)cc1OC InChIKey=DFILFLBFZIMCIO-GPDUQRLWSA-O InChI=1S/C27H39NO5/c1-18-7-5-10-27(2)15-25-20(14-22(18)27)21(26(30)33-25)17-28(11-6-12-29)16-19-8-9-23(31-3)24(13-19)32-4/h8-9,13-14,18,20-21,25,29H,5-7,10-12,15-17H2,1-4H3/p+1/t18-,20+,21+,25+,27+/m0/s1 InChI=1/C27H39NO5/c1-18-7-5-10-27(2)15-25-20(14-22(18)27)21(26(30)33-25)17-28(11-6-12-29)16-19-8-9-23(31-3)24(13-19)32-4/h8-9,13-14,18,20-21,25,29H,5-7,10-12,15-17H2,1-4H3/p+1/t18-,20+,21+,25+,27+/m0/s1/fC27H40NO5/h28H/q+1 C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+](CCCO)Cc4ccc(c(c4)OC)OC)C C01[X(C27H40N1O5)] 213 C01 575 OCCC[NH+](C[C@H]1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)Cc1ccc(c(c1)OC)OC OCCC[NH](C[C]1[CH][CH][C]([C]([CH]1)OC)OC)C[C@H]1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C CO[C]1[CH][CH][C]([CH][C]1OC)C[NH](CCCO)C[C@@H]2[C@H]3C=C4[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O InChIKey=CXPVEUXDIQWZDV-GPDUQRLWSA-N InChI=1S/C27H40NO5/c1-18-7-5-10-27(2)15-25-20(14-22(18)27)21(26(30)33-25)17-28(11-6-12-29)16-19-8-9-23(31-3)24(13-19)32-4/h8-9,13-14,18,20-21,25,28-29H,5-7,10-12,15-17H2,1-4H3/t18-,20+,21+,25+,27+/m0/s1 InChI=1/C27H40NO5/c1-18-7-5-10-27(2)15-25-20(14-22(18)27)21(26(30)33-25)17-28(11-6-12-29)16-19-8-9-23(31-3)24(13-19)32-4/h8-9,13-14,18,20-21,25,28-29H,5-7,10-12,15-17H2,1-4H3/t18-,20+,21+,25+,27+/m0/s1 3583.4198185038 -1474.2687807 1-A 20215.2750 124 451 575 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.72389 -20.67717 -20.67427 -20.67357 -20.65789 -15.81916 -11.50302 -11.43202 -11.42325 -11.42285 -11.40704 -11.39828 -11.39720 -11.38808 -11.38639 -11.36645 -11.36540 -11.35705 -11.35416 -11.35330 -11.34138 -11.34080 -11.33286 -11.33218 -11.32929 -11.32063 -11.31921 -11.31656 -11.30270 -11.29963 -11.29579 -11.29435 -11.29346 -1.59782 -1.52195 -1.50046 -1.49570 -1.46945 -1.46308 -1.26590 -1.26048 -1.23100 -1.19904 -1.17714 -1.16222 -1.14424 -1.12682 -1.11140 -1.09845 -1.08232 -1.06336 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1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 11534.5860 27107.1506 32636.3151 0.99999 0.00384 -0.00196 -0.00382 0.99995 0.00939 0.00199 -0.00939 0.99995 1 0.00751 0.00320 0.00265 0.15646 0.06658 0.05530 18.49 23.24 27.84 40.21 48.52 59.85 79.90 90.22 108.80 117.40 123.46 166.04 173.21 189.67 202.56 236.47 250.53 259.63 265.99 282.09 310.22 326.12 342.02 359.29 364.03 390.66 398.72 405.67 415.43 441.34 446.91 447.06 458.80 497.40 534.18 547.50 565.51 575.05 589.27 592.44 627.19 632.38 664.99 692.44 707.87 744.99 751.92 774.30 800.52 861.03 877.94 896.76 941.65 945.31 983.17 1005.16 1006.90 1044.42 1086.97 1118.54 1141.97 1175.05 1179.85 1181.64 1222.35 1234.75 1240.29 1311.11 1322.89 1333.05 1350.28 1362.35 1386.97 1398.44 1408.68 1418.36 1463.71 1474.23 1481.70 1493.17 1520.92 1522.84 1533.32 1542.01 1577.20 1587.25 1599.58 1605.35 1642.19 1655.09 1657.60 1662.74 1674.06 1687.66 1705.55 1724.98 1735.13 1754.71 1763.90 1782.27 1795.50 1807.89 1840.76 1856.72 1858.01 1859.76 1860.99 1870.12 1887.52 1888.73 1918.45 1920.80 1921.63 1931.73 1951.80 1953.82 1967.85 1994.97 2009.41 2025.59 2029.30 2037.65 2055.93 2075.24 2081.01 2086.24 2089.53 2096.61 2109.19 2125.50 2132.90 2151.03 2159.63 2171.75 2181.55 2191.91 2196.67 2202.90 2218.40 2223.48 2232.69 2244.87 2253.82 2258.52 2266.11 2289.52 2323.44 2331.57 2334.00 2346.79 2352.63 2354.24 2357.94 2360.08 2360.94 2372.39 2372.70 2375.96 2376.39 2381.45 2381.76 2383.12 2384.84 2385.92 2386.66 2387.21 2401.87 2426.50 2461.71 2572.38 2584.90 2693.35 2868.41 4558.34 4573.25 4610.20 4612.45 4613.13 4615.18 4617.66 4621.45 4629.84 4637.49 4641.53 4649.84 4655.78 4659.11 4677.52 4691.45 4699.30 4704.18 4705.00 4705.27 4708.49 4710.13 4716.58 4720.28 4727.78 4729.35 4730.44 4741.63 4772.39 4795.45 4811.09 4811.97 4817.87 4822.05 4833.27 4843.67 4876.15 4920.64 5143.36 5914.01 0.693657 0.724941 0.725885 0.627807 -1473.575124 -1473.543840 -1473.542895 -1473.640973 3.289552D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+](CCCO)Cc4ccc(c(c4)OC)OC)C C08918357 RHF 6-31G(d) (6D,10F) C1 458.290649 |X|Y|Z| 69.861902 43.606126 115.901118 70.679236 22 6 7 8 20 1 1 |36.858105| |12.446189|36.858105| |8.959864|17.477853|0.500000| |7.550016|12.407020|0.248844|36.858105| |4.875398|7.434808|0.193157|12.355396|36.858105| |4.416280|6.826443|0.188282|7.425479|12.388119|36.858105| |4.830046|7.294367|0.176564|6.607084|7.399525|12.368771|36.858105| |7.397365|12.456344|0.251068|7.549668|6.330315|7.609482|12.418987|36.858105| |6.476959|7.604146|0.176938|5.111977|4.394626|5.142372|7.670277|14.369466|36.858105| |4.292670|4.843192|0.121977|3.804518|3.565674|4.332592|6.398806|7.557744|12.618598|36.858105| |3.904435|4.201500|0.110963|3.295717|3.094309|3.686333|4.921484|5.823066|9.022210|17.539339|0.500000| |3.544005|4.268121|0.111895|3.614346|3.700274|4.893001|7.347254|6.436384|7.405564|12.272412|0.245775|36.858105| |3.105550|3.635129|0.099171|3.100017|3.203500|4.156696|5.482663|5.007251|5.752447|8.753467|0.233707|17.637226|0.500000| |3.775290|5.010810|0.134583|4.379602|4.887045|7.633271|12.371190|7.639651|6.751758|7.343734|0.161075|12.539889|0.248567|36.858105| |3.040823|3.527599|0.090470|3.191853|3.286195|4.110660|5.804756|4.903725|5.382182|7.949993|0.171347|13.222305|0.263488|7.808726|73.516695| |3.039091|3.351768|0.084125|3.021686|2.972366|3.493788|4.802082|4.521007|5.274220|7.863840|0.171845|8.300072|0.183445|5.487831|26.034998|36.858105| |2.627752|2.831015|0.071490|2.633419|2.599038|2.958356|3.818571|3.592335|4.030239|5.326663|0.127512|5.547449|0.135264|4.193489|15.336920|15.951743|73.516695| |3.702162|3.928606|0.096375|3.335805|3.100436|3.556766|4.983825|5.453430|7.430534|12.307187|0.245108|7.814279|0.170309|5.261534|14.553831|12.549042|14.081864|36.858105| |4.094356|4.258795|0.100165|3.684599|3.311311|3.654124|5.132434|5.796668|7.421361|8.798639|0.179387|6.168321|0.134079|4.837198|11.595855|9.077812|12.223833|17.589992|0.500000| |3.188930|3.190357|0.080573|2.729224|2.520955|2.803840|3.607198|4.017327|5.311264|7.372657|0.206574|5.247353|0.133214|3.828094|9.628131|7.539195|11.438324|12.438497|0.245040|36.858105| |2.700102|2.679726|0.067677|2.397442|2.233772|2.428395|3.020701|3.226251|3.910080|4.864463|0.131223|4.015473|0.103319|3.137478|8.032301|6.397791|12.133515|7.539009|0.188798|12.692183|53.358707| |2.569619|2.617626|0.066173|2.384322|2.264745|2.487423|3.109483|3.188232|3.752461|4.768064|0.124136|4.228638|0.108137|3.279118|9.157043|7.821778|17.578865|7.502468|0.185341|9.424817|25.540111|0.500000| |2.790474|2.687703|0.066702|2.448094|2.230217|2.347313|2.877158|3.125667|3.673033|4.129281|0.107906|3.404862|0.085706|2.832633|6.663507|4.993296|9.436836|5.984384|0.181616|7.612114|17.248798|0.258152|36.858105| |2.391347|2.338719|0.058428|2.207754|2.048830|2.135257|2.554923|2.666212|2.978732|3.293026|0.085412|2.919043|0.074139|2.509535|5.909949|4.281013|8.817131|4.470939|0.135383|5.011682|10.325941|0.209005|12.492102|36.858105| |2.342951|2.247818|0.055908|2.163911|1.983304|2.012439|2.354111|2.475731|2.692078|2.823136|0.073117|2.513111|0.063715|2.246423|4.940710|3.386208|6.636255|3.595371|0.112791|3.827227|6.709661|0.132632|7.545769|12.497923|36.858105| |2.036148|1.982639|0.049843|1.942219|1.813359|1.837267|2.110633|2.166216|2.307881|2.427845|0.063146|2.238420|0.057370|2.030117|4.447930|2.969825|5.950775|2.998998|0.091506|3.127858|5.351878|0.111152|5.141858|8.162375|13.670754|73.516695| |2.300149|2.264204|0.058479|2.036718|1.915817|2.073002|2.488407|2.640703|3.133639|3.784946|0.108539|3.269859|0.088513|2.624436|6.346128|4.548511|8.716937|4.965219|0.124010|7.622941|17.102846|0.256271|7.636079|5.950554|4.187229|6.291464|36.858105| |2.110851|2.124472|0.055791|1.914385|1.838950|2.024091|2.408772|2.493013|2.926091|3.641721|0.107249|3.330023|0.094152|2.636725|6.511563|4.463115|8.569116|4.475447|0.106607|6.213184|10.291881|0.201305|4.970774|4.319055|3.248825|5.168722|12.653714|36.858105| |1.951276|1.998300|0.052563|1.834497|1.792449|1.981839|2.341845|2.346189|2.675528|3.317026|0.094490|3.227780|0.091605|2.589202|6.630588|4.467792|9.234569|4.041074|0.097713|4.926265|8.171073|0.187877|4.285668|4.096320|3.094657|5.128980|7.605656|13.860509|36.858105| |1.790264|1.851850|0.049375|1.706716|1.691361|1.883419|2.186791|2.159134|2.424461|2.979427|0.085967|3.021594|0.088745|2.464692|6.099921|3.820974|7.573968|3.400032|0.082327|3.899033|5.823924|0.130642|3.286272|3.167072|2.532145|4.281221|5.028475|7.930583|13.664549|36.858105| |1.756382|1.810869|0.048843|1.652244|1.636211|1.826399|2.099656|2.096624|2.367296|2.891690|0.086274|2.911502|0.087953|2.386426|5.586832|3.380268|6.303584|3.146443|0.075730|3.640309|5.089031|0.108089|2.922325|2.731097|2.246651|3.763796|4.431481|6.819707|7.905774|13.824134|36.858105| |1.870688|1.902698|0.051392|1.708817|1.669580|1.856803|2.144385|2.198104|2.535359|3.097604|0.095710|2.979825|0.090005|2.418876|5.497555|3.368636|6.057685|3.336006|0.079592|4.081655|5.501491|0.110310|3.115804|2.793084|2.303234|3.777130|5.024776|7.874154|6.844129|7.901978|13.456580|36.858105| |2.056485|2.063380|0.055042|1.837923|1.767969|1.953111|2.292839|2.398179|2.828502|3.487185|0.108061|3.184419|0.093262|2.540966|5.892800|3.796373|6.830127|3.939286|0.093275|5.310087|7.338324|0.138907|3.920541|3.366090|2.699038|4.317940|7.559907|13.570400|7.949286|6.890770|7.905388|13.847405|36.858105| |1.778527|1.804342|0.049347|1.616284|1.582246|1.756148|1.994439|2.054533|2.350996|2.799316|0.087761|2.703199|0.082736|2.248926|4.819720|2.857692|5.019747|2.881008|0.069715|3.409281|4.438182|0.087992|2.637790|2.368973|2.013809|3.315306|3.866591|5.185035|4.626667|5.302481|8.180408|14.250058|7.913945|73.516695| |1.818111|1.816156|0.049869|1.611995|1.560585|1.716961|1.939772|2.041125|2.352607|2.734638|0.087189|2.557110|0.077375|2.153789|4.436415|2.634929|4.550403|2.767619|0.067759|3.318661|4.228447|0.081226|2.578575|2.275534|1.966036|3.205091|3.671288|4.493968|3.791580|3.984742|5.240392|8.023132|6.714725|24.169537|36.858105| |1.610991|1.669505|0.045474|1.532979|1.532636|1.711384|1.931825|1.911452|2.122218|2.538563|0.075562|2.615017|0.079990|2.204134|4.935453|2.873856|5.283251|2.668661|0.065195|2.964483|4.056934|0.086045|2.432340|2.302541|1.947202|3.300505|3.385402|4.621290|5.204836|7.918947|14.306003|8.196577|5.312236|13.199754|4.809071|73.516695| |1.499686|1.564872|0.042613|1.456826|1.470793|1.639413|1.832321|1.782989|1.943949|2.296100|0.066778|2.420574|0.073330|2.084450|4.655668|2.673021|5.003431|2.418193|0.059991|2.598913|3.612410|0.078225|2.219406|2.157090|1.842373|3.175872|2.925153|3.786407|4.507271|6.723132|8.029080|5.238868|3.985694|8.535672|3.555052|24.095583|36.858105| |4.142564|5.452606|0.126585|5.763510|6.246242|7.576815|12.336360|7.493895|5.789454|5.355787|0.114690|5.975963|0.125861|7.517846|10.603332|5.237459|7.713715|5.042323|0.155765|3.595747|4.325377|0.093349|3.114894|2.853691|2.646235|4.242654|2.559004|2.438092|2.413933|2.220742|2.078685|2.090233|2.251630|3.400720|1.841831|3.374892|1.821954|36.858105| |17.570730|8.841178|0.213526|7.069512|4.624024|3.958112|4.025049|5.446181|4.761578|3.460201|0.089338|2.986213|0.074282|3.221143|4.650008|2.601823|4.085364|3.061673|0.092995|2.707537|3.205858|0.062555|2.449670|2.145778|2.134988|3.342747|2.046893|1.888941|1.757651|1.624848|1.598209|1.695604|1.847888|2.887004|1.664094|2.627195|1.382914|3.548345|0.500000| |17.576573|8.710325|0.215687|5.476943|4.031328|3.904318|4.345061|6.603151|6.731169|4.483489|0.118845|3.563002|0.088657|3.650801|5.330967|3.015686|4.616377|3.764403|0.111816|3.356715|3.779837|0.072262|2.825363|2.376019|2.300070|3.537026|2.395459|2.201495|2.005530|1.841721|1.826782|1.972762|2.177564|3.358048|1.955081|2.974219|1.542581|3.658344|0.303643|0.500000| |17.538523|8.761583|0.173869|6.709844|4.439791|4.017489|4.595648|6.707414|6.252550|4.303863|0.106525|3.482828|0.083672|3.590149|5.511163|3.199435|4.966746|3.965756|0.128107|3.412998|3.995287|0.077120|3.136759|2.670423|2.654677|4.036251|2.455451|2.205949|2.034202|1.841300|1.787412|1.901180|2.115205|3.178762|1.822055|2.890725|1.514818|4.280183|0.301655|0.300812|0.500000| |7.103475|8.869333|0.214491|17.567816|8.808840|5.574438|4.843734|5.513619|4.163292|3.203061|0.079634|3.028054|0.074240|3.556169|4.811149|2.592244|4.092510|2.855318|0.086775|2.422066|2.934030|0.059171|2.218538|2.016113|2.002755|3.215474|1.863062|1.750893|1.675071|1.564823|1.522520|1.578108|1.691887|2.673026|1.509051|2.524493|1.350965|4.361699|0.220655|0.144679|0.170828|0.500000| |6.881042|8.870702|0.175001|17.534499|8.749692|6.069926|6.140588|6.831335|4.947762|3.779685|0.089488|3.538574|0.083206|4.112459|5.788431|3.166815|4.963535|3.495959|0.111568|2.837954|3.452900|0.070287|2.650316|2.407998|2.390568|3.796411|2.125210|1.970421|1.892215|1.742072|1.668818|1.720507|1.865351|2.866965|1.602868|2.734940|1.464950|6.311645|0.174619|0.139443|0.199779|0.305553|0.500000| |4.349690|6.120481|0.179415|8.801958|17.562271|8.899338|5.512376|5.006421|3.726684|3.088131|0.076804|3.206515|0.079743|4.135387|5.055468|2.579266|4.060271|2.684157|0.078323|2.246751|2.724500|0.056141|1.993295|1.839587|1.788085|2.926987|1.746889|1.688020|1.645530|1.566269|1.526964|1.559266|1.638627|2.651525|1.476959|2.563688|1.386369|4.652206|0.120840|0.102797|0.107303|0.228877|0.177115|0.500000| |4.098595|5.567875|0.140340|8.811824|17.567854|8.788040|6.247728|5.122063|3.802262|3.230151|0.077722|3.396833|0.081806|4.350097|5.631397|2.890217|4.586658|2.935128|0.088080|2.395537|2.954909|0.061746|2.188546|2.049211|2.000247|3.284809|1.860815|1.783099|1.755520|1.654881|1.587002|1.605254|1.697977|2.691338|1.484504|2.644083|1.438298|6.362889|0.109309|0.095299|0.109508|0.195725|0.227208|0.305600|0.500000| |4.356961|6.624072|0.212875|6.326643|8.836703|17.532510|8.876509|6.980906|5.007362|4.207974|0.103642|4.705459|0.116588|7.155463|6.715174|3.214509|4.839735|3.329514|0.092556|2.698379|3.144273|0.065080|2.209452|1.994250|1.874376|3.041311|2.003913|1.974280|1.919941|1.841208|1.810506|1.853798|1.936403|3.154049|1.745917|3.036519|1.628135|5.521619|0.109799|0.111123|0.105623|0.143460|0.138714|0.227750|0.175559|0.500000| |3.540607|4.927942|0.136584|5.490732|8.806154|17.542846|8.820620|5.525114|4.180224|3.810591|0.091372|4.546044|0.110206|7.023591|7.165264|3.352349|5.151117|3.249120|0.091619|2.593591|3.119984|0.066137|2.202930|2.041243|1.919850|3.159081|1.974317|1.950182|1.939367|1.861408|1.797447|1.802971|1.876024|3.029622|1.650275|3.016686|1.643565|6.947754|0.090215|0.088844|0.092053|0.123790|0.135182|0.203213|0.223594|0.304754|0.500000| |7.395059|7.019300|0.167584|4.653155|3.831621|4.189741|5.485944|9.134799|17.717170|8.717275|0.221566|5.433519|0.128779|4.937050|7.605540|4.399074|6.297250|6.290223|0.178378|5.209243|5.225291|0.098573|3.696963|2.936420|2.692297|4.057812|3.145092|2.878701|2.572156|2.319957|2.289719|2.499833|2.824102|4.161192|2.394777|3.645163|1.862878|4.495823|0.146124|0.246645|0.197826|0.111083|0.125464|0.093377|0.092793|0.116407|0.096531|0.500000| |3.732754|4.953501|0.144035|4.180543|4.679798|7.270621|8.889509|6.902346|6.204103|6.353144|0.155718|9.061091|0.231748|17.549416|10.257234|4.402163|6.223318|4.428068|0.112435|3.458048|3.844655|0.080477|2.552422|2.255882|2.036988|3.282267|2.432427|2.467185|2.399465|2.318832|2.295595|2.351165|2.439657|3.967163|2.159829|3.820590|2.021968|5.511043|0.089669|0.102822|0.095084|0.097047|0.104579|0.115930|0.111640|0.227686|0.181625|0.133300|0.500000| |3.176701|4.074953|0.110298|3.836441|4.501545|6.841038|8.757573|5.523287|4.933962|5.472386|0.126928|8.960802|0.208521|17.560642|13.408056|5.099022|7.301460|4.463137|0.115250|3.378704|3.939017|0.085812|2.617044|2.386521|2.139668|3.497819|2.457191|2.504722|2.524658|2.440600|2.342467|2.320783|2.397725|3.831255|2.035847|3.891108|2.107871|6.978692|0.077588|0.084671|0.085097|0.088556|0.101810|0.107929|0.117179|0.172309|0.206966|0.107654|0.303674|0.500000| |3.452409|3.299091|0.083150|2.766064|2.488739|2.709395|3.416633|4.012641|5.426080|6.592633|0.194489|4.507143|0.115251|3.495861|7.746303|5.494763|8.525254|8.784934|0.212230|17.603110|12.361269|0.183168|7.288091|4.642815|3.765841|5.371175|6.635326|5.183391|4.062825|3.324338|3.203195|3.682930|4.768712|5.690488|3.256722|4.744607|2.337797|3.335397|0.080942|0.103716|0.103572|0.068977|0.079690|0.062010|0.065121|0.073172|0.068628|0.162326|0.090092|0.084739|0.500000| |2.883180|2.927638|0.075984|2.505785|2.363165|2.668991|3.364473|3.655260|4.741163|6.836062|0.218225|5.281427|0.145179|3.754847|9.473250|6.805990|10.449794|8.846256|0.173610|17.660852|12.430421|0.216038|5.626309|4.159395|3.244408|4.902121|7.552329|7.460018|5.600427|4.527630|4.379512|5.126141|6.882576|7.406659|3.986122|6.172931|2.946682|3.256712|0.068940|0.085237|0.083297|0.062228|0.071030|0.059244|0.062130|0.072610|0.069313|0.128355|0.096573|0.093034|0.301555|0.500000| |3.250998|3.110492|0.075390|2.820044|2.517576|2.629269|3.288089|3.653623|4.314373|4.667636|0.116667|3.717917|0.090565|3.129270|7.164677|5.361066|9.509414|6.956332|0.245554|7.554587|12.358286|0.210336|17.648760|8.864398|6.916255|8.427073|5.635286|4.137471|3.666649|2.937438|2.654863|2.818717|3.439731|4.334005|2.398187|4.005293|2.070128|3.616695|0.077903|0.090142|0.104419|0.070166|0.086281|0.061670|0.068514|0.067962|0.067640|0.120269|0.077347|0.079078|0.209278|0.148359|0.500000| |2.719137|2.550423|0.063883|2.304620|2.080570|2.168366|2.605314|2.887389|3.403243|3.708479|0.100584|3.029235|0.077733|2.560243|5.698878|4.044803|7.393709|4.931161|0.145675|6.557785|12.398769|0.182598|17.601179|8.739354|6.770069|8.337737|7.448276|4.717976|3.899523|3.054744|2.794959|3.060157|3.900062|4.679844|2.638955|4.160734|2.115446|2.746344|0.066899|0.077765|0.084693|0.058847|0.068684|0.052218|0.056351|0.057402|0.056285|0.098750|0.065432|0.065449|0.199969|0.143002|0.302871|0.500000| |2.136694|2.092705|0.053036|1.974231|1.850941|1.936403|2.282627|2.366580|2.639345|2.943348|0.078272|2.655493|0.069005|2.282910|5.349384|3.777760|7.854219|3.848706|0.110867|4.482369|9.288857|0.188271|8.776206|17.582690|8.981462|13.451758|6.463273|4.668944|4.480611|3.395948|2.888931|2.937110|3.552633|4.383745|2.353573|4.294935|2.263210|2.503324|0.053753|0.059504|0.065243|0.050483|0.059051|0.046634|0.051337|0.050720|0.051767|0.072634|0.057697|0.060795|0.115506|0.109200|0.173126|0.208784|0.500000| |2.376870|2.381612|0.059379|2.277307|2.145960|2.254878|2.718501|2.754969|3.027932|3.398211|0.086155|3.117262|0.078358|2.681069|6.584907|4.859149|10.750936|4.680664|0.142003|4.845341|9.468405|0.225041|8.858655|17.556805|8.933506|13.230343|5.246195|4.161972|4.192489|3.272471|2.762890|2.750222|3.231869|4.133162|2.196529|4.160761|2.225201|3.125653|0.059161|0.064838|0.073314|0.057237|0.069302|0.053170|0.060178|0.057878|0.060472|0.080654|0.065890|0.071793|0.118734|0.113291|0.212303|0.172636|0.302630|0.500000| |2.588728|2.472663|0.060602|2.405415|2.175969|2.179753|2.560206|2.707828|2.905721|2.967398|0.075362|2.625100|0.065478|2.382083|5.126160|3.486102|6.651955|3.760201|0.123588|3.796885|6.234359|0.124040|6.866323|8.831251|17.503259|16.466268|3.722091|2.966967|2.828135|2.356793|2.112810|2.168154|2.515847|3.403684|1.875989|3.284529|1.751548|2.932828|0.065335|0.069482|0.083104|0.061609|0.075196|0.054032|0.061275|0.055838|0.057409|0.080467|0.059591|0.062709|0.104773|0.088076|0.206559|0.167139|0.174637|0.214071|0.500000| |2.298075|2.162315|0.054107|2.062285|1.874381|1.892573|2.192499|2.345877|2.570040|2.662230|0.070262|2.338237|0.059893|2.095101|4.484175|3.022557|5.764287|3.302629|0.101961|3.638298|6.220699|0.117036|6.904938|8.830151|17.500556|16.469837|4.111703|3.145122|2.915288|2.403739|2.171048|2.262337|2.668358|3.549492|1.977888|3.353641|1.770914|2.405589|0.058524|0.063382|0.072252|0.053569|0.062757|0.047317|0.052103|0.049456|0.049893|0.072932|0.053473|0.055079|0.103416|0.086576|0.171829|0.202814|0.213084|0.174090|0.301071|0.500000| |1.971602|1.907009|0.047991|1.885482|1.754749|1.757045|1.993145|2.050513|2.160552|2.232250|0.058165|2.062495|0.052932|1.899097|4.041975|2.643812|5.185210|2.690926|0.082413|2.774654|4.562783|0.093677|4.291169|5.978683|9.814541|35.740475|3.053926|2.554937|2.525269|2.151270|1.917576|1.929554|2.183853|3.049076|1.669363|3.023326|1.641076|2.248363|0.051054|0.053286|0.061160|0.049180|0.057728|0.044444|0.049841|0.045471|0.047199|0.059673|0.048243|0.051162|0.075628|0.068457|0.114047|0.112744|0.155391|0.153948|0.227588|0.226971|0.500000| |2.120961|2.081270|0.053673|1.906188|1.796504|1.920460|2.273360|2.386247|2.756332|3.217278|0.090199|2.855842|0.076825|2.362585|5.616120|3.956198|7.896932|4.145037|0.108831|5.617913|12.416152|0.217342|7.451482|6.901313|4.711990|7.222277|17.659187|8.877043|6.911258|4.651911|3.973947|4.270215|5.795698|6.005274|3.199513|5.542669|2.774186|2.380244|0.053008|0.060690|0.063273|0.048734|0.055646|0.045616|0.048930|0.051297|0.051139|0.076719|0.060740|0.062258|0.141827|0.148839|0.147005|0.204746|0.242107|0.160779|0.110343|0.129052|0.095438|0.500000| |2.356890|2.273280|0.058945|2.020946|1.878643|2.017036|2.400877|2.611313|3.133476|3.675758|0.108463|3.079693|0.083747|2.506554|5.716551|3.949659|7.171944|4.583074|0.116265|7.159839|12.384647|0.181257|6.875327|5.090459|3.900367|5.779385|17.619147|8.835319|5.603876|4.183381|3.966500|4.768018|7.259651|6.874705|3.896531|5.560622|2.673880|2.423027|0.058334|0.069237|0.069796|0.051733|0.058270|0.047837|0.050316|0.054641|0.052897|0.090142|0.065536|0.064432|0.202004|0.197353|0.148011|0.218505|0.149289|0.121248|0.097707|0.111531|0.079738|0.302362|0.500000| |1.935852|1.986290|0.051818|1.848295|1.808103|1.985514|2.348164|2.327334|2.615522|3.193013|0.088025|3.134684|0.086642|2.555414|6.657925|4.591887|10.268910|4.003186|0.099896|4.659231|8.313775|0.208863|4.572902|4.708950|3.448488|5.830029|6.987531|8.905935|17.699372|8.944982|5.651524|4.936049|5.630031|6.522238|3.130673|7.477666|3.920316|2.484541|0.048524|0.054634|0.056558|0.046804|0.053486|0.045903|0.049661|0.052829|0.054227|0.069350|0.064874|0.069875|0.106696|0.136336|0.107489|0.111460|0.146168|0.139356|0.086361|0.087902|0.078338|0.198522|0.140513|0.500000| |1.684775|1.755018|0.046843|1.638225|1.639326|1.823491|2.096168|2.035389|2.242949|2.715084|0.076877|2.827985|0.082653|2.359204|5.804910|3.551741|7.182943|3.069181|0.075715|3.358697|5.021329|0.115089|2.959903|2.950125|2.398511|4.143354|4.111176|5.664968|8.943590|17.776392|8.941334|5.621021|4.965989|7.598850|3.326442|12.582015|7.477878|2.152004|0.042707|0.047749|0.048096|0.041771|0.046508|0.042244|0.044872|0.049320|0.050585|0.059175|0.061455|0.066058|0.080317|0.104448|0.074529|0.075860|0.087669|0.086449|0.062241|0.062693|0.058047|0.110173|0.096409|0.218076|0.500000| |2.137013|2.109177|0.056384|1.858040|1.766408|1.936944|2.265651|2.425538|2.895731|3.488836|0.110740|3.068711|0.089210|2.476584|5.483572|3.506217|6.127068|3.849737|0.092336|5.331263|6.990070|0.125044|3.902248|3.243878|2.661467|4.196543|7.034888|8.880591|5.660938|4.963365|5.627561|8.975217|17.743121|12.638378|7.503809|7.619586|3.328969|2.198224|0.053321|0.063704|0.060976|0.047748|0.052222|0.045609|0.046833|0.053674|0.051186|0.082388|0.066775|0.064020|0.143655|0.187809|0.096005|0.112549|0.093924|0.084553|0.069300|0.074537|0.059461|0.149403|0.223723|0.123942|0.107782|0.500000| |1.768922|1.746808|0.047667|1.557851|1.497635|1.630101|1.839833|1.946803|2.239338|2.566012|0.080560|2.366701|0.070135|2.008607|4.152100|2.507663|4.389724|2.656534|0.066033|3.242576|4.268797|0.080838|2.643770|2.341637|2.029693|3.307861|3.849823|4.577758|3.767545|3.823541|4.788694|7.090802|6.720132|16.440586|17.563554|7.602164|3.270794|1.766189|0.045113|0.052760|0.049639|0.040655|0.043288|0.039343|0.039723|0.045786|0.043457|0.063884|0.055529|0.052744|0.089815|0.105339|0.067363|0.076558|0.068144|0.061905|0.053295|0.057330|0.047868|0.094653|0.116727|0.087158|0.088804|0.223064|0.500000| |2.008965|2.001595|0.055074|1.750663|1.684731|1.862173|2.120097|2.263508|2.655245|3.107638|0.102242|2.838892|0.086368|2.362649|4.805049|2.849434|4.804744|3.078701|0.074474|3.734345|4.536199|0.085778|2.743935|2.361257|2.038316|3.280160|3.827713|4.529738|3.708865|3.755374|4.697219|6.979836|6.683213|16.428122|17.549998|7.472528|3.213767|1.985651|0.050712|0.060682|0.055668|0.045395|0.048151|0.044205|0.044187|0.052870|0.049298|0.075767|0.066245|0.061137|0.103442|0.127353|0.071705|0.078158|0.066785|0.063188|0.054488|0.056975|0.047462|0.090201|0.115234|0.085875|0.087290|0.226537|0.298397|0.500000| |1.699727|1.701621|0.047111|1.517277|1.476482|1.621177|1.806398|1.891618|2.149670|2.454373|0.077628|2.331470|0.070831|2.004116|4.015237|2.341672|4.036926|2.439096|0.060399|2.828866|3.605595|0.070048|2.253303|2.016225|1.769366|2.908761|3.040116|3.607718|3.187982|3.418379|4.417871|5.899715|4.903683|17.017173|17.668362|7.817300|3.360714|1.707121|0.043551|0.050727|0.047001|0.039665|0.041702|0.039084|0.039000|0.046058|0.043431|0.060736|0.056385|0.052920|0.077549|0.092016|0.058893|0.063937|0.057729|0.054352|0.047147|0.049457|0.042372|0.075378|0.088860|0.075088|0.082157|0.146484|0.299900|0.300195|0.500000| |1.416488|1.478078|0.040512|1.378385|1.395952|1.552825|1.714830|1.669217|1.807372|2.105058|0.061419|2.223109|0.067609|1.947155|4.196612|2.373845|4.375568|2.175985|0.054378|2.316514|3.175990|0.067995|1.986092|1.926615|1.671170|2.885084|2.546740|3.184424|3.616866|4.908791|5.906552|4.418443|3.419870|7.810944|3.362003|17.005122|17.670982|1.692249|0.036468|0.040518|0.039540|0.035668|0.038323|0.036778|0.037871|0.043092|0.043324|0.048273|0.053040|0.054786|0.058745|0.072420|0.051914|0.052994|0.055843|0.054973|0.044365|0.044847|0.041722|0.067243|0.065933|0.089197|0.146126|0.082250|0.085343|0.084020|0.091598|0.500000| |1.553809|1.638353|0.044561|1.530489|1.557711|1.751069|1.963636|1.882871|2.041724|2.434791|0.070017|2.633245|0.080189|2.261565|5.160938|2.917474|5.489101|2.562459|0.063272|2.688495|3.713654|0.082007|2.271611|2.214514|1.884009|3.250574|2.914418|3.729559|4.562611|6.714422|7.030447|4.729603|3.783208|7.504179|3.224492|16.424087|17.572049|1.960447|0.039699|0.044169|0.043570|0.039226|0.042759|0.040660|0.042413|0.048127|0.049098|0.053695|0.060513|0.064317|0.066254|0.084369|0.059346|0.059302|0.063855|0.064431|0.050064|0.049812|0.046568|0.076466|0.073067|0.113133|0.224907|0.087892|0.082037|0.083785|0.084168|0.299892|0.500000| |1.438926|1.492603|0.040453|1.397879|1.405989|1.552830|1.733136|1.690607|1.837567|2.149007|0.061916|2.239114|0.066571|1.941777|4.348582|2.539150|4.845414|2.302012|0.057821|2.490117|3.558788|0.077250|2.213381|2.191280|1.873555|3.264801|2.924175|3.741896|4.575520|6.719535|7.061427|4.760455|3.801198|7.557626|3.263005|16.429257|17.575179|1.743731|0.036953|0.040983|0.040605|0.036095|0.039262|0.036788|0.038377|0.042607|0.043233|0.049111|0.051995|0.054528|0.062462|0.077083|0.056823|0.058712|0.064773|0.062703|0.049058|0.050038|0.046802|0.078967|0.073739|0.113434|0.223659|0.088364|0.086378|0.081589|0.085213|0.299886|0.298407|0.500000| |4.401889|5.698083|0.127417|6.894945|7.083993|6.930160|8.695245|6.714816|5.087075|4.418756|0.098637|4.555537|0.101437|5.463493|8.042105|4.249070|6.576252|4.281833|0.137647|3.223321|3.970062|0.084379|2.969566|2.755908|2.641911|4.243393|2.373792|2.228448|2.194854|2.014067|1.889158|1.907537|2.060792|3.120937|1.704931|3.077240|1.664366|17.620141|0.106827|0.103466|0.129620|0.141581|0.237527|0.140662|0.218624|0.140664|0.172457|0.116657|0.123205|0.142096|0.085400|0.080387|0.096696|0.073616|0.066863|0.082991|0.082875|0.066927|0.063292|0.062124|0.063052|0.063023|0.054296|0.056348|0.045772|0.050887|0.044051|0.043121|0.049350|0.044554|0.500000| 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