Version2.0 2020-01-07T17:32:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C1CCN(CC1)C2=NC(=N[C@H]3[C@@H]2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO C13510822 RHF 6-31G(d) (6D,7F) C1CCN(CC1)C2=NC(=N[C@H]3[C@@H]2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO C01[X(C24H42N8O4)] 228 C1 624 OCCN(C1=N[C@H]2[C@@H](C(=N1)N1CCCCC1)N=C(N=C2N1CCCCC1)N(CCO)CCO)CCO OCCN(C1=N[C@H]2[C@@H](C(=N1)N1CCCCC1)N=C(N=C2N1CCCCC1)N(CCO)CCO)CCO OCCN(CCO)C1=N[C@H]2[C@H](N=C(N=C2N3CCCCC3)N(CCO)CCO)C(=N1)N4CCCCC4 InChIKey=RMUHTDMTFYFGPA-PMACEKPBSA-N InChI=1S/C24H42N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h19-20,33-36H,1-18H2/t19-,20-/m0/s1 InChI=1/C24H42N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h19-20,33-36H,1-18H2/t19-,20-/m0/s1 C1CCN(CC1)C2=NC(=N[C@H]3[C@@H]2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO C01[X(C24H42N8O4)] 228 C01 624 OCCN(C1=N[C@H]2[C@@H](C(=N1)N1CCCCC1)N=C(N=C2N1CCCCC1)N(CCO)CCO)CCO OCCN(C1=N[C@@H]2[C@H](NC(=N[C@@H]2[C@H](N1)N1CCCCC1)N(CCO)CCO)N1CCCCC1)CCO OCCN(CCO)C1=N[C@@H]2[C@H](NC(=N[C@@H]2[C@H](N1)N3CCCCC3)N(CCO)CCO)N4CCCCC4 InChIKey=MGOFNTGLWKJMJL-FNAHDJPLSA-N InChI=1S/C24H46N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h19-22,33-36H,1-18H2,(H,26,27)(H,25,28)/t19-,20-,21+,22+/m0/s1 InChI=1/C24H46N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h19-22,33-36H,1-18H2,(H,26,27)(H,25,28)/t19-,20-,21+,22+/m0/s1/f/h27-28H 4457.1976656809 -1668.2845126 1-A 17722.3738 137 487 624 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676.94 698.25 717.03 726.58 737.03 752.27 761.75 770.81 845.61 860.25 872.96 892.02 906.61 908.12 940.58 972.95 1170.96 1179.18 1180.70 1207.41 1223.76 1234.44 1266.46 1272.51 1278.91 1280.99 1306.63 1343.48 1344.46 1354.51 1377.15 1379.17 1384.91 1391.37 1397.51 1401.13 1429.92 1432.02 1449.04 1479.91 1498.57 1511.76 1511.92 1547.09 1549.67 1589.40 1590.23 1616.18 1619.14 1620.57 1635.74 1648.82 1660.70 1667.24 1708.73 1709.07 1728.99 1741.14 1741.17 1746.60 1747.44 1767.64 1795.22 1808.35 1810.27 1829.98 1848.76 1852.47 1867.51 1868.19 1876.43 1888.66 1937.19 1944.17 1969.06 1988.29 1994.62 1997.65 1997.69 2002.41 2009.79 2013.65 2016.49 2021.72 2028.12 2038.94 2059.64 2070.37 2087.30 2087.69 2101.80 2116.27 2126.92 2128.48 2142.73 2144.32 2184.01 2184.46 2191.86 2192.23 2196.75 2198.63 2205.32 2209.94 2213.97 2215.09 2234.08 2234.31 2242.64 2243.24 2282.50 2293.11 2307.77 2307.90 2315.29 2315.35 2339.11 2339.40 2341.71 2341.88 2348.41 2349.45 2356.54 2356.71 2362.00 2365.95 2374.23 2374.71 2388.74 2390.68 2407.05 2408.25 2410.75 2410.85 2413.81 2431.03 2481.72 2487.24 2581.66 2600.76 4545.64 4559.18 4559.42 4560.40 4560.68 4577.99 4578.01 4578.99 4593.06 4593.08 4605.41 4606.11 4610.65 4610.68 4619.62 4619.67 4655.61 4655.87 4664.98 4665.07 4670.37 4670.41 4691.77 4692.05 4695.08 4695.53 4714.57 4714.84 4727.43 4727.57 4784.14 4784.18 4794.85 4794.87 4847.45 4847.50 4854.27 4854.34 5926.76 5927.65 5927.90 5927.96 0.737465 0.772139 0.773083 0.667876 -1667.547047 -1667.512374 -1667.511430 -1667.616637 3.528660D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE C1CCN(CC1)C2=NC(=N[C@H]3[C@@H]2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO C13510822 RHF 6-31G(d) (6D,10F) C1 506.332902 |X|Y|Z| 91.021750 81.893816 52.257165 73.032143 22 6 7 16 6 |36.858105| |12.444327|36.858105| |7.578514|12.469408|36.858105| |6.564959|7.732565|13.056291|53.358707| |7.523686|6.524700|7.826769|17.756551|36.858105| |12.445772|7.562621|6.567978|10.537851|12.449401|36.858105| 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|2.890163|2.830021|2.890283|4.852135|3.682570|3.586247|4.107733|4.930197|3.760855|5.693098|4.680168|0.105174|5.335953|0.130941|11.370613|14.008301|11.269267|5.495230|5.679463|3.953776|3.502330|2.879161|2.964129|3.249218|53.358707| |2.370729|2.332587|2.380435|3.847744|2.893955|2.824471|3.207114|4.011256|3.150831|4.853034|3.860478|0.090256|3.998423|0.101994|7.151050|7.723888|9.590735|4.823104|5.484408|4.187374|3.868230|3.036098|2.968322|3.135013|17.840252|36.858105| |2.177621|2.102228|2.157651|3.468979|2.684679|2.598021|2.802852|3.458614|2.658809|4.077620|3.354890|0.082076|3.483509|0.094287|5.824770|5.759511|7.901679|4.213012|5.094817|4.129381|3.675527|2.862519|2.720811|2.918921|10.413899|12.544753|36.858105| |2.230384|2.099871|2.113044|3.363829|2.683071|2.679821|2.629108|3.216165|2.401351|3.561365|2.912319|0.072381|3.159958|0.086936|5.319958|4.806609|6.015606|3.419778|4.126469|3.219072|2.896251|2.370031|2.291707|2.462582|8.802674|7.998814|13.541365|73.516695| |3.242084|3.073039|2.986211|4.899324|3.852289|4.084154|3.916414|4.696378|3.406068|4.811935|3.815166|0.088887|4.600962|0.114838|9.588907|7.846225|7.099594|4.045124|4.389328|3.045141|2.771800|2.376656|2.462678|2.665331|17.859573|7.644814|5.639222|10.458124|36.858105| |3.327502|3.272436|3.064623|4.814473|3.581238|3.943299|3.877199|4.921901|3.592548|4.841571|3.563426|0.083005|4.164652|0.100091|8.031902|5.919994|5.835917|3.585076|3.963274|2.709380|2.562951|2.260484|2.375367|2.502986|10.415021|5.618528|4.143914|7.416254|12.545665|36.858105| |2.689402|2.691555|2.556140|3.908981|2.855689|3.054861|3.176534|4.194997|3.206218|4.416365|3.152961|0.074329|3.426863|0.083528|6.104312|4.889849|5.339533|3.293287|3.776848|2.661628|2.613273|2.289777|2.356341|2.404660|8.779197|5.837903|4.158256|7.250581|8.000219|13.521143|73.516695| |2.879346|3.502695|3.954115|5.679632|3.249240|2.964216|5.495298|11.269363|14.008380|11.370664|5.336004|0.130940|4.680217|0.105174|5.693242|3.761007|4.930248|4.107730|4.852137|2.890232|2.829908|2.890108|3.586254|3.682721|4.347890|2.785016|2.354467|3.812051|2.975276|3.267983|5.395373|53.358707| |3.036410|3.868820|4.187884|5.484693|3.135132|2.968500|4.823227|9.590942|7.723942|7.151098|3.998469|0.101993|3.860556|0.090257|4.853235|3.150992|4.011338|3.207136|3.847759|2.380407|2.332511|2.370688|2.824467|2.894049|3.790792|2.433125|2.086191|3.461256|2.718139|3.061816|5.026829|17.840252|36.858105| |2.862723|3.675916|4.129716|5.094895|2.918965|2.720899|4.212960|7.901582|5.759562|5.824701|3.483448|0.094283|3.354857|0.082075|4.077665|2.658864|3.458609|2.802811|3.468944|2.157616|2.102170|2.177595|2.598015|2.684732|3.204699|2.086169|1.839494|3.074044|2.299830|2.510183|4.129714|10.413942|12.544762|36.858105| |2.370157|2.896479|3.219231|4.126466|2.462578|2.291753|3.419707|6.015499|4.806635|5.319848|3.159867|0.086931|2.912264|0.072379|3.561379|2.401387|3.216137|2.629042|3.363748|2.112993|2.099805|2.230340|2.679775|2.683064|2.918600|1.946930|1.729141|2.868353|2.063658|2.229152|3.761124|8.802703|7.998820|13.541374|73.516695| |2.376794|2.772045|3.045330|4.389412|2.665331|2.462746|4.045157|7.099611|7.846245|9.588926|4.600990|0.114837|3.815205|0.088887|4.812083|3.406241|4.696460|3.916412|4.899272|2.986138|3.072896|3.241958|4.084043|3.852326|4.049732|2.718110|2.299834|3.668737|2.712456|2.957611|5.131423|17.859570|7.644781|5.639180|10.457995|36.858105| |2.260667|2.563223|2.709595|3.963474|2.503063|2.375503|3.585253|5.836113|5.920118|8.032448|4.164948|0.100096|3.563651|0.083009|4.842000|3.592986|4.922325|3.877462|4.814660|3.064645|3.272333|3.327380|3.943256|3.581379|4.448395|3.061929|2.510283|3.963067|2.957731|3.311680|6.027591|10.415041|5.618461|4.143863|7.416105|12.545673|36.858105| |2.290049|2.613642|2.661901|3.777131|2.404813|2.356565|3.293519|5.339789|4.889972|6.104712|3.427130|0.083532|3.153226|0.074334|4.416918|3.206720|4.195456|3.176790|3.909168|2.556191|2.691507|2.689327|3.054841|2.855805|4.131323|2.827834|2.323137|3.761373|2.886698|3.390770|6.264185|8.779230|5.837801|4.158157|7.250315|8.000203|13.521135|73.516695| |17.489859|8.857559|6.786956|7.763995|6.722666|8.846954|4.128612|4.904672|2.875635|3.517173|2.747396|0.074249|3.424445|0.096459|4.569657|2.760509|3.254672|2.380912|2.820429|1.845242|1.675917|1.602316|1.755370|1.952260|3.490268|2.147110|2.010168|3.665416|2.814962|2.826172|4.172310|3.521403|2.717420|2.644338|3.950474|2.167751|2.045788|3.656348|0.500000| |17.542130|8.797926|5.505934|6.692220|5.487539|8.812688|3.912794|4.800140|2.883511|3.503515|2.664280|0.069744|3.303997|0.089001|4.721301|2.869263|3.293184|2.351581|2.760947|1.824232|1.679870|1.592356|1.731456|1.891921|3.755783|2.291808|2.102986|3.877242|3.179606|3.346396|4.833905|3.606844|2.826189|2.641500|3.932929|2.226866|2.155629|3.948908|0.303312|0.500000| |8.820467|17.530799|8.895617|9.456652|5.705287|6.752755|5.812199|7.816170|4.267509|4.742659|3.408393|0.087242|4.217099|0.104854|5.773272|3.354217|3.834890|2.825600|3.250112|2.077438|1.928656|1.851981|2.073430|2.259782|4.180379|2.507106|2.209323|3.904500|3.383141|3.777711|5.447025|5.361954|4.453636|3.973648|5.476881|3.062803|2.871416|5.312953|0.173592|0.214307|0.500000| |8.794099|17.527781|8.859368|7.637094|4.891351|5.498019|4.428359|5.968790|3.382878|3.874045|2.828062|0.075775|3.358029|0.088449|4.386997|2.659406|3.172939|2.375359|2.822987|1.822112|1.692716|1.647984|1.838409|2.004279|3.331856|2.068659|1.879727|3.341549|2.639768|2.827996|4.262575|4.350036|3.650596|3.629376|5.100038|2.577001|2.370994|4.348667|0.216003|0.209077|0.302256|0.500000| |5.505552|8.787499|17.717883|12.504868|5.686087|4.903464|7.548337|11.255919|5.271019|5.580266|4.024712|0.110424|4.729493|0.120559|5.436362|3.189409|3.897441|3.082275|3.611525|2.226231|2.040008|2.016643|2.337941|2.619484|3.737977|2.297278|2.065912|3.549355|2.781919|2.907230|4.412736|6.309869|5.119570|5.302523|6.935507|3.437054|2.946652|5.138318|0.139588|0.123108|0.214369|0.211343|0.500000| |6.881702|8.850902|17.510677|12.566700|7.172150|5.848513|5.954359|7.184571|3.830006|4.486947|3.494369|0.098491|4.280187|0.119928|5.005265|2.959044|3.614759|2.803196|3.322218|2.088192|1.882579|1.841525|2.088040|2.372362|3.518038|2.168922|2.007712|3.515969|2.654730|2.666509|4.020901|4.538568|3.491469|3.592204|5.171803|2.671172|2.382104|4.138328|0.201872|0.140110|0.174042|0.213999|0.302007|0.500000| |5.511588|4.895899|5.661949|12.368828|17.722820|8.887097|7.294221|6.679676|3.981155|5.307512|4.865574|0.126753|7.796407|0.263205|10.006857|5.244059|5.792263|4.147387|4.513915|2.836430|2.410498|2.217959|2.446982|2.900278|5.866981|3.301419|3.096233|5.480639|4.380492|3.815595|5.378928|4.318428|2.954587|2.709940|4.154975|2.660472|2.538364|4.266345|0.138976|0.123697|0.127947|0.107751|0.127299|0.145589|0.500000| |6.762862|5.750604|7.107506|12.519477|17.514686|8.819675|5.904450|6.004274|3.458707|4.416470|3.788863|0.105357|5.158256|0.164612|6.215576|3.587756|4.261094|3.182653|3.683124|2.340998|2.038271|1.931354|2.140199|2.497646|4.228620|2.537745|2.413187|4.305988|3.206919|2.983461|4.373632|3.920620|2.808816|2.709612|4.117688|2.405802|2.239722|3.823172|0.197068|0.138608|0.132471|0.128933|0.145687|0.216960|0.302402|0.500000| |8.798906|5.499349|4.922602|7.649482|8.872738|17.527120|4.380033|4.817749|2.940783|3.773674|3.090460|0.080879|4.104584|0.118706|6.025695|3.580126|4.005950|2.789090|3.213309|2.126802|1.893493|1.756095|1.892223|2.128816|4.624496|2.730599|2.583105|4.859208|3.914794|3.637410|5.101504|3.479354|2.542651|2.356523|3.606747|2.182755|2.128949|3.750416|0.215933|0.209444|0.138337|0.123179|0.108056|0.131139|0.213863|0.214953|0.500000| |8.823579|6.748549|5.718818|9.455952|8.930975|17.552437|5.736210|6.222645|3.708441|4.623908|3.689663|0.091968|5.134021|0.134295|8.240019|4.507366|4.722047|3.246846|3.608358|2.346304|2.107882|1.945484|2.120499|2.368328|5.765122|3.215394|2.869355|5.269714|5.108660|5.060321|6.553751|4.323995|3.155841|2.787314|4.171702|2.636302|2.597942|4.619508|0.173545|0.214742|0.196484|0.138314|0.127512|0.133793|0.218845|0.174270|0.302263|0.500000| |1.841514|1.882609|2.088221|3.322240|2.372284|2.088002|2.803246|3.614810|2.959069|5.005284|4.280297|0.119938|3.494436|0.098496|4.486867|3.829794|7.184022|5.954278|12.566713|17.510620|8.850963|6.881765|5.848568|7.172078|4.538258|3.491105|3.591911|5.171556|2.671047|2.381954|4.137978|3.518033|2.168926|2.007707|3.515920|2.654692|2.666532|4.020976|0.048788|0.047644|0.053440|0.047733|0.058061|0.055330|0.073655|0.062192|0.055708|0.060055|0.500000| |2.016573|2.039984|2.226187|3.611401|2.619285|2.337816|3.082192|3.897328|3.189281|5.436143|4.729381|0.120562|4.024580|0.110425|5.579871|5.270365|11.254029|7.547953|12.504828|17.717963|8.787507|5.505566|4.903487|5.686057|6.309060|5.118734|5.301913|6.935026|3.436748|2.946369|5.137756|3.737864|2.297228|2.065857|3.549246|2.781841|2.907253|4.412843|0.052639|0.052435|0.058665|0.051074|0.061138|0.058059|0.083111|0.066943|0.062418|0.068787|0.302008|0.500000| |1.647942|1.692706|1.822094|2.822917|2.004167|1.838330|2.375307|3.172853|2.659305|4.386842|3.357997|0.088452|2.827999|0.075775|3.873830|3.382610|5.968291|4.428237|7.637102|8.859376|17.527796|8.794083|5.498025|4.891301|4.349524|3.649952|3.628860|5.099484|2.576738|2.370727|4.348027|3.331724|2.068589|1.879675|3.341450|2.639649|2.827887|4.262459|0.043258|0.043452|0.048925|0.043300|0.051075|0.047732|0.060945|0.051990|0.049026|0.053881|0.214001|0.211343|0.500000| |1.851919|1.928628|2.077387|3.249962|2.259612|2.073317|2.825461|3.834670|3.353958|5.772837|4.216938|0.104855|3.408225|0.087240|4.742300|4.267145|7.815462|5.811931|9.456594|8.895601|17.530787|8.820448|6.752732|5.705208|5.361273|4.452860|3.973242|5.476425|3.062456|2.871029|5.312013|4.180091|2.506965|2.209218|3.904319|3.382914|3.777522|5.446862|0.047946|0.048738|0.056602|0.048925|0.058664|0.053438|0.068647|0.057474|0.054407|0.061758|0.174043|0.214369|0.302256|0.500000| |1.602328|1.675963|1.845289|2.820467|1.952225|1.755357|2.380959|3.254727|2.760549|4.569704|3.424547|0.096467|2.747450|0.074252|3.517139|2.875555|4.904474|4.128599|7.764048|6.786980|8.857573|17.489845|8.846981|6.722581|3.521203|2.717161|2.644147|3.950268|2.167646|2.045648|3.655974|3.490256|2.147102|2.010170|3.665382|2.814891|2.826099|4.172224|0.042482|0.041836|0.047948|0.043259|0.052641|0.048789|0.058329|0.051428|0.046384|0.050531|0.201874|0.139589|0.216003|0.173592|0.500000| |1.592350|1.679896|1.824250|2.760929|1.891857|1.731419|2.351569|3.293152|2.869217|4.721232|3.304027|0.089005|2.664271|0.069745|3.503424|2.883416|4.799948|3.912752|6.692250|5.505928|8.797858|17.542138|8.812767|5.487511|3.606593|2.825883|2.641296|3.932678|2.226715|2.155434|3.948381|3.755671|2.291744|2.102949|3.877158|3.179453|3.346187|4.833642|0.041835|0.041906|0.048739|0.043453|0.052436|0.047644|0.056007|0.049275|0.045466|0.050478|0.140111|0.123108|0.209075|0.214306|0.303312|0.500000| |1.756147|1.893592|2.126904|3.213411|2.128816|1.892248|2.789203|4.006128|3.580334|6.026005|4.104806|0.118718|3.090584|0.080883|3.773747|2.940819|4.817725|4.380092|7.649552|4.922622|5.499349|8.798922|17.527107|8.872748|3.479291|2.542528|2.356458|3.606690|2.182719|2.128856|3.750109|4.624618|2.730644|2.583151|4.859210|3.914758|3.637374|5.101447|0.046384|0.045468|0.054411|0.049028|0.062422|0.055710|0.062266|0.055864|0.048977|0.054345|0.131140|0.108057|0.123179|0.138336|0.215933|0.209446|0.500000| |1.945500|2.107944|2.346343|3.608339|2.368249|2.120477|3.246834|4.722003|4.507317|8.239923|5.134088|0.134300|3.689674|0.091970|4.623891|3.708468|6.222609|5.736208|9.455993|5.718835|6.748545|8.823605|17.552307|8.930941|4.323874|3.155675|2.787250|4.171630|2.636216|2.597768|4.619008|5.764954|3.215313|2.869283|5.269522|5.108378|5.060202|6.553655|0.050531|0.050478|0.061761|0.053883|0.068790|0.060055|0.069783|0.060639|0.054344|0.062169|0.133794|0.127512|0.138314|0.196483|0.173545|0.214744|0.302264|0.500000| |2.218097|2.410720|2.836680|4.514292|2.900370|2.447106|4.147912|5.793081|5.245108|10.009332|7.798155|0.263279|4.866251|0.126769|5.308055|3.981500|6.680099|7.294955|12.369197|5.661981|4.895938|5.511592|8.887205|17.722728|4.318644|2.954636|2.710011|4.155129|2.660604|2.538409|4.266274|5.867704|3.301715|3.096412|5.480760|4.380839|3.816018|5.379453|0.058332|0.056011|0.068655|0.060950|0.083120|0.073660|0.086183|0.075294|0.062267|0.069788|0.145587|0.127300|0.107751|0.127949|0.138974|0.123698|0.213861|0.218855|0.500000| |1.931440|2.038415|2.341174|3.683387|2.497711|2.140270|3.182947|4.261492|3.588120|6.216155|5.158862|0.164649|3.789219|0.105369|4.416669|3.458744|6.004170|5.904606|12.519274|7.107140|5.750323|6.762534|8.819518|17.514715|3.920566|2.808672|2.709521|4.117647|2.405802|2.239665|3.822950|4.228875|2.537879|2.413299|4.306084|3.206993|2.983564|4.373794|0.051430|0.049278|0.057479|0.051994|0.066950|0.062196|0.075294|0.066137|0.055865|0.060642|0.216946|0.145683|0.128927|0.132466|0.197057|0.138604|0.214953|0.174268|0.302394|0.500000| |2.284218|2.243041|2.240402|3.536797|2.657341|2.674361|2.897856|3.694305|2.884173|4.304233|3.293703|0.078184|3.433874|0.087410|6.038979|5.810650|7.011074|3.883932|4.547987|3.458163|3.342171|2.709527|2.644183|2.723271|12.611861|17.629171|8.937092|13.158306|7.526325|6.080771|12.809825|3.573031|2.341858|2.001573|3.324742|2.578169|2.957987|5.009021|0.057288|0.062370|0.067538|0.055695|0.060177|0.056664|0.082241|0.065010|0.072116|0.085218|0.082126|0.112314|0.089182|0.107138|0.067622|0.071738|0.064008|0.078718|0.072093|0.068250|0.500000| |2.228964|2.240093|2.319515|3.726922|2.722018|2.605360|3.179811|4.077023|3.326841|5.305817|4.119281|0.095527|3.975367|0.099879|6.707807|7.238512|10.756743|5.440607|6.342306|4.982455|4.794462|3.593217|3.451363|3.556158|12.445634|17.657473|8.953136|10.260457|5.738182|4.806590|9.189109|4.025742|2.523649|2.154941|3.620879|2.970125|3.413849|5.429295|0.056351|0.059507|0.066935|0.055547|0.063192|0.058680|0.085228|0.066815|0.069107|0.081279|0.110130|0.169205|0.123244|0.163043|0.086931|0.092762|0.080245|0.103275|0.091087|0.086748|0.303600|0.500000| |1.941766|1.890049|1.938443|3.059849|2.336124|2.265364|2.467516|3.109110|2.418573|3.710017|2.977924|0.074049|2.990215|0.080900|4.791655|4.534659|6.567149|3.727764|4.750539|4.036246|3.772891|2.899509|2.667538|2.783339|7.615150|8.919407|17.476046|16.463805|4.421116|3.537314|6.608063|2.971516|1.939225|1.720131|2.908897|2.175197|2.393994|3.937351|0.050137|0.052346|0.055118|0.047477|0.052045|0.050372|0.073401|0.059114|0.062530|0.068769|0.098576|0.142314|0.107890|0.113172|0.074669|0.075334|0.064380|0.075472|0.070831|0.072395|0.212401|0.221832|0.500000| |2.215166|2.139684|2.238758|3.653969|2.841283|2.666366|2.963895|3.599294|2.759241|4.308626|3.697606|0.091391|3.811083|0.106185|6.169341|6.160022|9.242518|4.835891|5.878772|4.844287|3.999267|3.073131|2.926801|3.247547|9.556196|8.891045|17.558901|16.439636|5.037198|3.740802|6.406460|3.264291|2.105117|1.873555|3.132362|2.329302|2.487390|4.028564|0.057234|0.058616|0.061766|0.052987|0.059422|0.058241|0.092820|0.071381|0.073650|0.080447|0.117614|0.183773|0.108590|0.115662|0.079712|0.076853|0.069909|0.081653|0.082809|0.084556|0.174787|0.211318|0.300270|0.500000| |2.108288|1.973749|1.995880|3.159615|2.541451|2.519161|2.439282|2.979878|2.212078|3.276697|2.699775|0.068435|2.912573|0.081962|4.722532|4.129770|5.364780|3.154586|3.900803|3.082700|2.749137|2.266092|2.176111|2.349889|6.917052|5.934480|9.812006|35.793788|4.689754|3.496580|6.037600|2.693532|1.804689|1.622781|2.702691|1.907408|2.035617|3.429289|0.054803|0.057160|0.056698|0.049362|0.052306|0.052477|0.081056|0.064795|0.072276|0.075842|0.079273|0.103485|0.076654|0.079414|0.059862|0.058623|0.053880|0.061087|0.061750|0.062354|0.151957|0.131254|0.223068|0.233730|0.500000| |2.870736|2.682854|2.587680|4.127682|3.287188|3.523230|3.219385|3.928159|2.864954|4.060780|3.201019|0.076763|3.711166|0.096168|6.985724|5.824300|5.989201|3.464722|3.926558|2.821447|2.600242|2.219585|2.251100|2.406117|12.601793|7.524724|6.108216|12.926923|17.634320|8.930486|13.170851|3.488119|2.370056|2.039976|3.295964|2.386591|2.613129|4.569564|0.070590|0.079580|0.080816|0.065320|0.067160|0.065160|0.102658|0.078547|0.097359|0.117600|0.069626|0.089280|0.068628|0.079283|0.056709|0.058206|0.055756|0.066260|0.065909|0.061205|0.231232|0.149909|0.133547|0.141593|0.153400|0.500000| |3.797906|3.457154|3.341052|5.624634|4.701932|5.129742|4.310496|4.932634|3.413949|4.731207|3.875942|0.091708|5.022408|0.129168|10.613215|7.365049|6.646579|3.939685|4.256082|2.897331|2.581216|2.249417|2.359197|2.607671|12.506458|5.753612|4.837066|9.282486|17.633392|8.950532|10.255707|3.985004|2.710469|2.328484|3.669780|2.605210|2.746855|4.763514|0.090595|0.102247|0.104017|0.080827|0.083985|0.082575|0.152770|0.105780|0.138380|0.185009|0.071877|0.089969|0.066552|0.077432|0.057660|0.058132|0.058601|0.069343|0.073268|0.066058|0.150066|0.128128|0.106521|0.128447|0.122574|0.302733|0.500000| |3.558659|3.397401|3.046963|4.642272|3.536565|4.143307|3.559043|4.516138|3.187042|4.188146|3.091535|0.074051|3.652881|0.090356|6.631506|4.633970|4.792725|3.043757|3.445373|2.365536|2.239081|2.005670|2.105725|2.219451|7.620530|4.410211|3.541004|6.635855|8.926297|17.477537|16.459684|4.014486|2.867871|2.394347|3.757705|2.649110|2.901596|5.402707|0.083028|0.103145|0.109349|0.082001|0.079204|0.074041|0.101859|0.082505|0.107744|0.150157|0.058843|0.070907|0.058108|0.068520|0.051009|0.053348|0.053156|0.063332|0.062881|0.055922|0.133025|0.106035|0.085443|0.089783|0.089195|0.212294|0.221804|0.500000| |3.631739|3.737171|3.530467|5.605101|3.958170|4.262646|4.705541|6.086528|4.438637|5.790881|4.125106|0.093798|4.887286|0.111597|9.517461|6.406517|6.207527|3.949878|4.262810|2.816702|2.659422|2.381369|2.566494|2.717724|9.568205|5.026195|3.741649|6.426778|8.888425|17.584447|16.424189|5.424932|3.701506|2.927479|4.533501|3.480188|3.874483|7.062564|0.084255|0.099294|0.124026|0.088176|0.094130|0.082947|0.115028|0.089692|0.104177|0.154042|0.068423|0.083416|0.067114|0.082957|0.059447|0.062859|0.063865|0.079073|0.077981|0.066617|0.141279|0.127684|0.089696|0.097574|0.086280|0.174741|0.211309|0.300329|0.500000| |2.632431|2.687607|2.525920|3.774112|2.700680|2.901610|3.064938|4.168234|3.206012|4.315015|2.984535|0.070903|3.193161|0.077467|5.453260|4.204678|4.747685|3.042608|3.537832|2.473998|2.467307|2.206403|2.288812|2.304613|6.902757|4.657581|3.484426|6.035716|5.937460|9.818563|35.794115|4.268030|2.977877|2.415590|3.911812|3.000478|3.590186|6.941495|0.063722|0.074501|0.086152|0.067231|0.068989|0.061824|0.077840|0.065029|0.074955|0.096414|0.060450|0.073195|0.064025|0.078342|0.054976|0.060055|0.057449|0.070713|0.064413|0.057183|0.152207|0.121323|0.088764|0.085993|0.080775|0.152108|0.131275|0.223439|0.233705|0.500000| |2.709845|3.342704|3.458561|4.548241|2.723400|2.644380|3.884059|7.011240|5.810667|6.039040|3.433934|0.087410|3.293799|0.078186|4.304473|2.884366|3.694422|2.897897|3.536812|2.240375|2.242963|2.284157|2.674328|2.657399|3.573167|2.341893|2.001614|3.324815|2.578245|2.957968|5.008710|12.611815|17.629182|8.937071|13.158261|7.526269|6.080593|12.809179|0.067629|0.071747|0.107158|0.089198|0.112329|0.082135|0.072092|0.068254|0.064012|0.078724|0.056663|0.060176|0.055693|0.067534|0.057287|0.062368|0.072116|0.085215|0.082247|0.065012|0.063565|0.067765|0.052183|0.055496|0.048088|0.063254|0.070258|0.077259|0.097869|0.084128|0.500000| |3.593742|4.795521|4.983374|6.342923|3.556431|3.451690|5.440956|10.757415|7.238588|6.707954|3.975497|0.099880|4.119469|0.095530|5.306154|3.327059|4.077161|3.179885|3.726992|2.319509|2.240033|2.228941|2.605384|2.722148|4.025867|2.523672|2.154984|3.620962|2.970186|3.413720|5.428811|12.445643|17.657454|8.953152|10.260465|5.738183|4.806574|9.189099|0.086942|0.092775|0.163085|0.123273|0.169244|0.110147|0.091088|0.086756|0.080252|0.103284|0.058680|0.063191|0.055545|0.066931|0.056352|0.059505|0.069109|0.081278|0.085237|0.066820|0.067765|0.071364|0.055081|0.060162|0.052257|0.071143|0.083398|0.090127|0.117237|0.089469|0.303600|0.500000| |2.899784|3.773380|4.036643|4.750681|2.783437|2.667673|3.727766|6.567151|4.534694|4.791632|2.990191|0.080897|2.977925|0.074048|3.710092|2.418640|3.109128|2.467501|3.059835|1.938420|1.890002|1.941744|2.265360|2.336172|2.971551|1.939222|1.720143|2.908932|2.175216|2.393934|3.937117|7.615169|8.919419|17.476037|16.463784|4.421090|3.537269|6.607897|0.074676|0.075342|0.113184|0.107910|0.142330|0.098587|0.070830|0.072399|0.064383|0.075475|0.050372|0.052044|0.047475|0.055115|0.050137|0.052345|0.062531|0.068767|0.073405|0.059117|0.052183|0.055080|0.044738|0.048400|0.042743|0.054023|0.061461|0.064608|0.076750|0.064358|0.212401|0.221833|0.500000| |3.073246|3.999516|4.844529|5.878695|3.247522|2.926816|4.835695|9.242187|6.160106|6.169229|3.810961|0.106179|3.697498|0.091387|4.308584|2.759244|3.599241|2.963821|3.653924|2.238723|2.139632|2.215160|2.666388|2.841362|3.264249|2.105071|1.873539|3.132354|2.329264|2.487247|4.028223|9.556268|8.891067|17.558901|16.439614|5.037175|3.740789|6.406389|0.079716|0.076856|0.115668|0.108600|0.183789|0.117622|0.082805|0.084557|0.069910|0.081653|0.058241|0.059420|0.052986|0.061763|0.057235|0.058616|0.073653|0.080446|0.092826|0.071385|0.055494|0.060160|0.048399|0.053563|0.046117|0.057184|0.066441|0.065873|0.080358|0.064483|0.174787|0.211319|0.300270|0.500000| |2.266179|2.749294|3.082793|3.900754|2.349864|2.176130|3.154495|5.364664|4.129798|4.722427|2.912469|0.081957|2.699704|0.068432|3.276681|2.212089|2.979831|2.439207|3.159529|1.995831|1.973694|2.108257|2.519125|2.541436|2.693514|1.804657|1.622767|2.702682|1.907394|2.035546|3.429072|6.917083|5.934485|9.812010|35.793792|4.689713|3.496526|6.037414|0.059864|0.058626|0.079419|0.076661|0.103489|0.079276|0.061748|0.062354|0.053880|0.061087|0.052476|0.052305|0.049361|0.056695|0.054802|0.057159|0.072277|0.075840|0.081056|0.064796|0.048087|0.052255|0.042742|0.046117|0.040016|0.047909|0.053331|0.053964|0.063926|0.055387|0.151957|0.131254|0.223067|0.233730|0.500000| |2.219722|2.600473|2.821603|3.926607|2.406119|2.251169|3.464717|5.989158|5.824282|6.985640|3.711129|0.096165|3.201022|0.076763|4.060895|2.865087|3.928212|3.219355|4.127594|2.587609|2.682740|2.870614|3.523084|3.287143|3.488189|2.370057|2.039989|3.295992|2.386619|2.613084|4.569275|12.601773|7.524698|6.108084|12.926421|17.634322|8.930461|13.170711|0.056712|0.058211|0.079292|0.068636|0.089287|0.069628|0.065906|0.061205|0.055758|0.066262|0.065158|0.067158|0.065317|0.080812|0.070588|0.079576|0.097356|0.117593|0.102661|0.078547|0.063253|0.071143|0.054022|0.057185|0.047910|0.059196|0.064048|0.066378|0.083912|0.074941|0.231233|0.149909|0.133545|0.141590|0.153395|0.500000| |2.249484|2.581367|2.897436|4.256054|2.607598|2.359197|3.939611|6.646468|7.364992|10.612695|5.022225|0.129162|3.875852|0.091706|4.731171|3.413978|4.932519|4.310305|5.624367|3.340893|3.456945|3.797722|5.129494|4.701827|3.984915|2.710355|2.328428|3.669711|2.605138|2.746677|4.762990|12.506478|5.753623|4.837082|9.282527|17.633420|8.950573|10.255708|0.057661|0.058134|0.077438|0.066557|0.089974|0.071879|0.073263|0.066056|0.058600|0.069343|0.082572|0.083981|0.080823|0.104008|0.090592|0.102242|0.138378|0.184992|0.152777|0.105780|0.070254|0.083393|0.061459|0.066441|0.053330|0.064046|0.069757|0.068154|0.088065|0.075872|0.150066|0.128128|0.106521|0.128448|0.122575|0.302733|0.500000| |2.005805|2.239281|2.365684|3.445495|2.219491|2.105819|3.043856|4.792820|4.634020|6.631771|3.653057|0.090359|3.091671|0.074054|4.188426|3.187359|4.516454|3.559220|4.642376|3.046958|3.397276|3.558458|4.143150|3.536603|4.014720|2.867963|2.394427|3.757806|2.649201|2.901612|5.402410|7.620536|4.410179|3.540967|6.635732|8.926298|17.477544|16.459667|0.051012|0.053353|0.068528|0.058114|0.070912|0.058846|0.062880|0.055923|0.053158|0.063335|0.074041|0.079205|0.081998|0.109344|0.083024|0.103137|0.107739|0.150150|0.101866|0.082505|0.077259|0.090130|0.064609|0.065876|0.053965|0.066379|0.068158|0.071236|0.091001|0.088754|0.133023|0.106035|0.085442|0.089782|0.089194|0.212294|0.221805|0.500000| |2.381550|2.659690|2.816936|4.263075|2.717822|2.566639|3.950157|6.207820|6.406709|9.518664|4.887911|0.111608|4.125510|0.093806|5.791553|4.439364|6.087349|4.706135|5.605579|3.530581|3.737090|3.631674|4.262758|3.958513|5.425359|3.701641|2.927613|4.533653|3.480298|3.874354|7.061643|9.568203|5.026125|3.741623|6.426707|8.888430|17.584411|16.424183|0.059451|0.062864|0.082967|0.067121|0.083424|0.068428|0.077980|0.066618|0.063867|0.079078|0.082949|0.094133|0.088173|0.124019|0.084255|0.099289|0.104180|0.154045|0.115047|0.089698|0.097868|0.117241|0.076752|0.080364|0.063928|0.083912|0.088070|0.090998|0.127681|0.114492|0.141274|0.127683|0.089695|0.097574|0.086280|0.174740|0.211311|0.300329|0.500000| 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