Version2.2 2021-02-13T23:03:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H]5[C@@H](CC[C@@H]([C@@H]5C(=O)NC6CCCCC6)O)C[NH+]4CC3 C39227933 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H]5[C@@H](CC[C@@H]([C@@H]5C(=O)NC6CCCCC6)O)C[NH+]4CC3 C01[X(C26H36N3O2)] 195 C1 537 O[C@H]1CC[C@@H]2[C@@H]([C@H]1C(=O)NC1CCCCC1)C[C@@H]1[NH+](C2)CCc2c1[nH]c1c2cccc1 O[C@H]1CC[C@@H]2[C@@H]([C@H]1C(=O)NC1CCCCC1)C[C@@H]1[NH+](C2)CCc2c1[nH]c1c2cccc1 O[C@H]1CC[C@H]2C[NH+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NC6CCCCC6 InChIKey=ZFLCQNZCLBKJMR-XWDCLSPVSA-O InChI=1S/C26H35N3O2/c30-23-11-10-16-15-29-13-12-19-18-8-4-5-9-21(18)28-25(19)22(29)14-20(16)24(23)26(31)27-17-6-2-1-3-7-17/h4-5,8-9,16-17,20,22-24,28,30H,1-3,6-7,10-15H2,(H,27,31)/p+1/t16-,20-,22-,23-,24+/m0/s1 InChI=1/C26H35N3O2/c30-23-11-10-16-15-29-13-12-19-18-8-4-5-9-21(18)28-25(19)22(29)14-20(16)24(23)26(31)27-17-6-2-1-3-7-17/h4-5,8-9,16-17,20,22-24,28,30H,1-3,6-7,10-15H2,(H,27,31)/p+1/t16-,20-,22-,23-,24+/m0/s1/fC26H36N3O2/h27,29H/q+1 c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H]5[C@@H](CC[C@@H]([C@@H]5C(=O)NC6CCCCC6)O)C[NH+]4CC3 C01[X(C26H36N3O2)] 195 C01 537 O[C@H]1CC[C@@H]2[C@@H]([C@H]1C(=O)NC1CCCCC1)C[C@@H]1[NH+](C2)CCc2c1[nH]c1c2cccc1 O[C@H]1CC[C@@H]2[C@@H]([C@H]1C(=O)NC1CCCCC1)C[C@@H]1[N@@H](C2)CC[C]2=C1N[C]1[C]2[CH][CH][CH][CH]1 O[C@H]1CC[C@H]2C[NH]3CCC4=C(N[C]5[CH][CH][CH][CH][C]45)[C@@H]3C[C@@H]2[C@H]1C(=O)NC6CCCCC6 InChIKey=OFBDQWWICOTBEM-XWDCLSPVSA-N InChI=1S/C26H36N3O2/c30-23-11-10-16-15-29-13-12-19-18-8-4-5-9-21(18)28-25(19)22(29)14-20(16)24(23)26(31)27-17-6-2-1-3-7-17/h4-5,8-9,16-17,20,22-24,28-30H,1-3,6-7,10-15H2,(H,27,31)/t16-,20-,22-,23-,24+/m0/s1 InChI=1/C26H36N3O2/c30-23-11-10-16-15-29-13-12-19-18-8-4-5-9-21(18)28-25(19)22(29)14-20(16)24(23)26(31)27-17-6-2-1-3-7-17/h4-5,8-9,16-17,20,22-24,28-30H,1-3,6-7,10-15H2,(H,27,31)/t16-,20-,22-,23-,24+/m0/s1/f/h27H 3144.7170814480 -1318.4777796 1-A 18368.2272 114 423 537 |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| -20.66192 -20.60959 -15.83437 -15.70900 -15.66589 -11.43597 -11.43590 -11.42757 -11.42572 -11.39180 -11.38686 -11.36885 -11.36794 -11.36016 -11.35621 -11.35298 -11.34836 -11.33910 -11.33876 -11.33505 -11.33003 -11.32059 -11.31841 -11.31604 -11.31320 -11.30497 -11.29237 -11.28621 -11.28251 -11.28071 -11.27763 -1.48297 -1.48111 -1.47115 -1.40916 -1.32078 -1.26715 -1.23232 -1.22151 -1.20689 -1.18447 -1.16309 -1.14647 -1.13083 -1.09229 -1.08485 -1.07721 -1.06727 -1.04625 -1.02657 -1.00889 -0.97224 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|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|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| 16.6243 22.2915 32.9593 44.5604 58.1937 72.6459 81.4020 93.6968 116.7638 131.8735 165.3364 170.8859 180.7382 197.1622 222.2590 234.8552 245.5125 255.6550 279.0602 283.3616 289.8737 296.5083 309.8043 349.8174 365.0561 371.3879 386.2844 394.6528 409.8661 424.0858 436.8217 449.1761 469.1730 483.0924 488.9907 492.3609 508.0284 524.8614 538.0627 560.2412 563.8072 574.4655 598.9766 625.8548 631.4353 651.5220 662.0278 715.5532 736.5968 782.8879 785.5303 816.0633 833.2541 844.9277 847.5685 856.2594 864.2510 871.8971 912.8360 924.3242 942.2152 947.7069 957.8653 960.2643 967.6429 968.0457 986.1530 990.5809 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3202.1041 3217.4229 3225.5077 3236.2393 3240.7397 3243.7311 3243.8909 3246.8077 3247.8123 3250.2450 3255.6496 3256.2276 3261.9265 3265.0723 3277.9563 3284.3954 3320.1216 3335.3506 3340.7880 3364.6252 3371.9471 3384.9083 3397.6518 3679.7545 3872.8821 3906.6690 4106.1114 3.7975 3.7699 3.8251 4.4750 4.3894 4.4018 6.5051 4.2221 3.5489 4.4096 5.1449 3.7148 4.0309 3.5925 4.1143 2.6509 1.8493 2.9542 3.1610 3.0199 2.3188 1.3197 3.7501 3.1441 2.1480 3.5164 2.2554 1.5595 2.4905 2.9341 4.1076 3.0962 2.3642 3.0634 1.6251 2.9100 2.3189 2.5384 3.2340 3.4990 2.4893 3.9424 3.0828 3.3363 3.5071 3.4025 3.6659 4.5517 4.8037 3.2953 2.9458 4.3811 2.7320 3.8505 1.3625 2.6250 1.5068 2.6193 2.0525 2.4359 2.3021 3.8775 2.3094 2.7063 1.6074 1.7207 2.1717 2.4885 2.0727 1.4893 3.6768 1.7167 2.3575 2.3016 1.3445 2.5150 2.3221 1.7717 1.4075 2.3653 2.3644 2.6828 1.4824 2.2404 2.5149 1.8447 1.3217 3.1759 2.0120 2.4639 1.9815 2.4284 1.8970 1.6703 1.8242 1.8026 2.0649 2.2961 1.4543 1.5107 1.3806 1.3952 1.4197 1.8233 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861.79 900.47 908.49 937.39 952.51 1029.52 1059.80 1126.40 1130.20 1174.13 1198.87 1215.66 1219.46 1231.97 1243.46 1254.47 1313.37 1329.90 1355.64 1363.54 1378.15 1381.61 1392.22 1392.80 1418.85 1425.22 1448.51 1454.34 1487.08 1513.54 1520.25 1540.47 1545.33 1556.66 1596.27 1601.77 1611.03 1611.61 1618.51 1627.60 1650.48 1654.75 1662.85 1677.91 1689.23 1696.40 1699.25 1719.80 1730.46 1745.32 1775.57 1782.42 1794.95 1807.76 1827.31 1850.86 1857.47 1868.68 1889.29 1904.20 1915.24 1930.88 1941.87 1950.84 1968.12 1985.50 2002.00 2003.49 2018.65 2023.55 2029.64 2038.10 2058.13 2079.27 2082.37 2084.93 2109.12 2115.23 2126.22 2137.75 2154.55 2166.19 2172.01 2185.18 2193.81 2198.19 2198.96 2205.07 2209.35 2216.47 2223.78 2227.93 2234.64 2245.70 2257.94 2272.33 2283.43 2290.26 2330.17 2332.87 2344.77 2349.04 2353.40 2354.44 2359.15 2360.26 2363.43 2365.37 2369.29 2385.97 2386.12 2405.26 2461.98 2535.20 2595.57 2627.24 2768.54 4534.34 4558.49 4580.10 4586.10 4589.51 4595.92 4598.05 4601.91 4605.85 4607.11 4629.15 4640.79 4656.23 4662.70 4667.01 4667.24 4671.43 4672.88 4676.38 4684.15 4684.99 4693.18 4697.71 4716.25 4725.51 4776.91 4798.83 4806.65 4840.95 4851.48 4870.13 4888.46 5294.35 5572.21 5620.83 5907.78 0.641513 0.666766 0.667710 0.585044 -1317.836267 -1317.811014 -1317.810070 -1317.892736 2.772631D-04 MUNgauss RevisionA2.1 retrievium 13-Feb-2021 DUDE c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H]5[C@@H](CC[C@@H]([C@@H]5C(=O)NC6CCCCC6)O)C[NH+]4CC3 C39227933 RHF 6-31G(d) (6D,10F) C1 422.280753 |X|Y|Z| 72.550895 112.650492 20.356396 54.999522 29 6 7 26 3 |36.858105| |13.547397|36.858105| |7.853684|13.872166|36.858105| |6.933568|8.061663|13.659364|36.858105| |7.988079|6.886809|7.797151|13.633516|36.858105| |13.883114|7.881630|6.733180|7.881172|13.604109|36.858105| |5.021397|4.561682|5.271886|8.379146|13.208829|7.278175|36.858105| |4.178371|4.194589|5.300325|8.554887|8.497903|5.252389|14.119501|36.858105| |4.641750|5.161556|7.592615|13.847246|8.487895|5.344896|8.535287|13.907837|53.358707| |3.939694|4.555993|6.676960|9.029205|5.952507|4.267358|5.980725|9.009266|26.094913|0.500000| |3.147928|3.166559|3.821766|5.192715|5.141571|3.764809|7.506994|12.713001|10.249752|0.187313|36.858105| |2.919910|2.950298|3.522284|4.592879|4.504239|3.427584|6.129863|8.895836|8.617370|0.167431|17.557800|0.500000| |2.754676|2.858752|3.469563|4.383710|4.051736|3.135455|5.088072|7.454360|8.493451|0.179624|12.475830|0.246910|36.858105| |2.273364|2.330747|2.722513|3.265005|3.123669|2.552543|3.821958|4.893865|5.727656|0.121413|7.547560|0.195056|12.423597|36.858105| |2.197033|2.257654|2.632025|3.129097|2.983958|2.454073|3.617941|4.597383|5.454913|0.117139|6.976240|0.214227|8.925854|17.566034|0.500000| |2.181529|2.174302|2.465128|2.955150|2.982773|2.489443|3.739848|4.406675|4.908306|0.098548|6.480300|0.163426|7.621562|12.381094|0.246226|36.858105| |2.210578|2.194608|2.472908|2.952036|2.999833|2.522558|3.718883|4.271360|4.815877|0.095622|5.781494|0.136341|7.010069|8.867551|0.174139|17.446279|0.500000| |1.861047|1.854291|2.065597|2.397901|2.418850|2.086555|2.909716|3.285875|3.840980|0.078176|4.369066|0.119328|4.906075|7.466552|0.189167|12.439451|0.247940|36.858105| |1.719690|1.735912|1.934886|2.198450|2.170863|1.892161|2.523585|2.860428|3.497902|0.072747|3.618629|0.097691|4.356799|6.430840|0.158845|7.589857|0.192663|12.472437|36.858105| |1.759493|1.807931|2.046430|2.310766|2.217655|1.914952|2.541956|2.973041|3.748804|0.080358|3.766654|0.103180|4.862905|7.516393|0.191612|6.477782|0.159594|7.547432|12.468529|36.858105| |1.648435|1.701854|1.915591|2.126349|2.029344|1.773823|2.278334|2.628541|3.393390|0.073114|3.189714|0.086723|4.050255|5.496992|0.141028|4.870230|0.129074|5.514922|8.895378|17.543826|0.500000| |2.022731|2.101103|2.433540|2.796468|2.626795|2.211454|3.037977|3.722544|4.719411|0.103052|4.872347|0.127594|7.428886|12.382278|0.249346|7.508443|0.189876|6.393264|7.503611|12.363359|0.245888|36.858105| |2.040322|2.115894|2.438072|2.786931|2.627652|2.226183|3.009271|3.620997|4.626323|0.099707|4.521551|0.112760|6.829771|8.826638|0.174909|6.798005|0.202800|5.666878|6.857445|8.913526|0.218586|17.484795|0.500000| |2.005767|2.132879|2.504163|2.806429|2.541287|2.147034|2.833086|3.505446|4.752741|0.109244|4.294670|0.116690|6.230814|7.508332|0.195352|4.881819|0.125502|4.343032|4.899644|7.557573|0.192516|12.397432|0.247040|36.858105| |2.125247|2.285964|2.728554|3.063961|2.714322|2.268072|3.008874|3.815614|5.313689|0.126888|4.640249|0.131929|6.426844|6.899435|0.204154|4.450531|0.111203|3.875599|4.039716|5.596882|0.139163|7.944892|0.169396|15.814215|73.516695| |1.827729|1.950605|2.257158|2.457914|2.229871|1.926654|2.422308|2.892716|4.003210|0.091201|3.351342|0.090371|4.499767|5.077975|0.132062|3.836142|0.103470|3.608197|4.291962|6.300024|0.193721|7.824128|0.200984|14.184210|15.108289|53.358707| |1.743647|1.884701|2.174523|2.303878|2.063664|1.806378|2.184704|2.572956|3.673114|0.084717|2.857750|0.078296|3.604662|3.808295|0.103610|3.009998|0.081208|2.856502|3.261359|4.354398|0.132148|4.973149|0.130665|7.710479|12.026746|17.744568|36.858105| |1.533399|1.641813|1.855998|1.947954|1.776926|1.582773|1.873444|2.149460|3.025972|0.068100|2.368095|0.065130|2.873747|3.100916|0.084758|2.600182|0.070730|2.570094|3.001837|3.861765|0.123989|3.970564|0.106954|5.195769|8.096012|10.604376|12.451576|36.858105| |1.449787|1.561810|1.753090|1.806178|1.641435|1.478632|1.702939|1.930738|2.756188|0.062031|2.076765|0.057489|2.438736|2.551944|0.070677|2.180918|0.059352|2.146720|2.425995|2.971162|0.091561|3.067769|0.082928|3.860610|6.511410|6.808142|7.534818|12.434607|36.858105| |1.508978|1.643179|1.847064|1.873672|1.683995|1.522826|1.720818|1.945775|2.831561|0.064065|2.045998|0.056001|2.393378|2.412646|0.065914|2.066522|0.056953|1.988853|2.206365|2.640573|0.079623|2.835140|0.078522|3.529317|6.068371|6.020707|6.435033|7.518203|12.443229|36.858105| |1.708340|1.887131|2.160701|2.184352|1.922467|1.719176|1.953231|2.244045|3.341484|0.077333|2.338636|0.063753|2.770434|2.705870|0.073738|2.256355|0.062047|2.114072|2.304787|2.784954|0.081721|3.142605|0.086670|4.084385|7.296971|6.770390|7.530135|6.443423|7.540241|12.444037|36.858105| |1.849809|2.033315|2.362482|2.449618|2.150660|1.889120|2.223410|2.609639|3.858445|0.090153|2.780126|0.074672|3.465167|3.388835|0.090155|2.730419|0.075424|2.514167|2.780564|3.476572|0.102326|4.136240|0.115379|5.781457|9.773417|10.464958|12.436174|7.539295|6.451177|7.529421|12.436528|36.858105| |1.707157|1.757619|1.988630|2.235914|2.140127|1.852275|2.444540|2.858975|3.623188|0.078221|3.620824|0.105050|4.396452|6.535374|0.205078|5.452072|0.126075|6.458198|7.877883|13.576541|0.258665|8.072203|0.160969|6.798188|10.320299|7.505571|4.193396|3.739431|2.959052|2.576675|2.713470|3.275778|73.516695| |2.369640|2.307601|2.590249|3.181850|3.362172|2.782620|4.475058|5.053479|5.209591|0.100084|7.655322|0.199631|6.550052|7.563310|0.192570|12.479341|0.248743|7.595816|4.933990|4.380016|0.098471|4.900944|0.125741|3.769189|6.590365|4.150552|2.532928|2.207280|1.909913|1.830609|2.004821|2.357077|7.347599|36.858105| |2.910456|2.801489|3.191780|4.155273|4.558355|3.557574|6.871934|7.887747|6.978584|0.125629|12.588728|0.254579|7.682967|6.483948|0.161080|7.621765|0.194407|4.951905|3.803057|3.627598|0.085102|4.353207|0.116207|3.588616|6.483720|3.976266|2.479895|2.128542|1.867339|1.827400|2.036439|2.389485|6.066870|12.698144|53.358707| |2.969034|2.841804|3.213192|4.156347|4.605973|3.635249|6.730036|7.284090|6.784152|0.121138|9.339242|0.182845|7.280835|5.937013|0.138290|7.168495|0.215611|4.689191|3.755953|3.531341|0.084422|4.282836|0.120859|3.488874|6.122833|3.953013|2.454980|2.116212|1.853021|1.828218|2.034490|2.399353|5.683415|9.328162|25.681059|0.500000| |3.118051|2.876718|3.160758|4.095912|4.920042|3.964583|7.711516|6.856676|6.273301|0.109437|7.603415|0.192690|4.966865|4.365989|0.117158|4.946588|0.129302|3.805191|3.014167|2.863114|0.069128|3.258313|0.087337|2.838277|5.217911|3.257411|2.101825|1.837057|1.645390|1.617976|1.790817|2.046085|4.942964|7.618711|17.225611|0.259345|36.858105| |4.025272|3.520826|3.780881|5.084569|7.141836|5.626454|12.707779|7.605570|7.072552|0.115900|6.252397|0.150264|4.361715|3.601539|0.095072|3.836013|0.106132|3.034286|2.550876|2.473466|0.061276|2.849786|0.078426|2.570641|4.744764|3.016018|1.982919|1.733599|1.571756|1.570564|1.749350|1.981028|4.228704|4.980378|10.420406|0.206560|12.491079|36.858105| |17.732090|8.877520|5.627539|4.984869|5.662042|8.972845|4.040493|3.412157|5.007929|0.089621|2.696484|0.070265|2.393691|2.023813|0.054485|1.963356|0.055368|1.700900|1.578384|1.605801|0.042017|1.820999|0.051110|1.803417|3.374073|2.259348|1.591316|1.414849|1.345076|1.400085|1.570679|1.684928|2.773764|2.126672|3.474642|0.072440|2.755006|3.479212|0.500000| |8.879933|17.727495|8.993147|5.697220|4.960229|5.638537|3.629384|3.427164|5.632230|0.106729|2.716680|0.071221|2.514744|2.095286|0.056605|1.954014|0.054798|1.691795|1.600287|1.671135|0.044060|1.923070|0.053856|1.971119|3.745717|2.488089|1.789475|1.571604|1.511003|1.600931|1.833403|1.944699|2.895521|2.049489|3.302999|0.068345|2.475804|2.940046|0.215742|0.500000| |5.594455|8.907159|17.721400|8.818406|5.570559|4.879308|4.300248|4.614850|9.127995|0.188614|3.551114|0.092328|3.378225|2.677223|0.072262|2.373970|0.065912|2.008704|1.909809|2.051582|0.053758|2.447090|0.067943|2.588062|5.066104|3.206675|2.312144|1.958861|1.866954|1.990865|2.365789|2.561351|3.556339|2.437876|3.978051|0.081369|2.821901|3.225178|0.123742|0.215277|0.500000| |8.945852|5.613022|4.878629|5.605044|8.820301|17.711746|6.439703|4.551126|5.887504|0.098823|3.466373|0.088403|2.878072|2.407344|0.064353|2.409864|0.068022|2.041012|1.837624|1.832634|0.047140|2.084802|0.058357|1.996790|3.713219|2.447610|1.679293|1.486314|1.387223|1.420307|1.586172|1.739290|3.150994|2.735945|4.706229|0.098508|4.028270|5.894481|0.215746|0.124042|0.106264|0.500000| |2.821286|2.916964|3.510170|4.395865|4.103475|3.207695|5.031582|6.855781|8.095221|0.165068|8.861733|0.174035|17.492866|8.747381|0.173482|6.855997|0.207843|4.531897|4.185137|4.500970|0.108388|6.725205|0.202063|5.526293|9.382582|5.892437|3.468925|2.806454|2.382739|2.375628|2.740368|3.450223|6.857524|5.754220|9.455749|0.215635|4.638690|4.321548|0.068161|0.071254|0.094335|0.081848|0.500000| |2.772569|2.971956|3.713396|4.575876|3.950603|3.069090|4.630049|6.825273|9.236430|0.224165|8.968232|0.214098|17.667701|8.869238|0.216117|5.539850|0.142604|4.066927|3.816290|4.508474|0.108082|6.837095|0.170327|7.085957|14.794992|6.774478|4.102875|3.130180|2.670507|2.646763|3.162879|4.020926|7.543689|4.907223|7.616187|0.147052|4.126040|3.806253|0.066652|0.073127|0.103979|0.076792|0.302515|0.500000| |1.810784|1.807407|2.012398|2.326920|2.340295|2.023756|2.802675|3.167058|3.723811|0.076253|4.207623|0.122044|4.518806|6.732207|0.200316|8.842078|0.174330|17.556758|8.874003|6.821465|0.140001|5.635465|0.131425|4.174871|6.907310|4.683713|2.791145|2.518082|2.124531|1.950582|2.070516|2.428862|12.707655|6.978114|6.272513|0.115526|3.703399|2.918889|0.046037|0.045909|0.054512|0.054978|0.111002|0.108000|0.500000| |1.795820|1.768359|1.942183|2.243926|2.306187|2.019784|2.766355|3.014694|3.510574|0.070380|3.844683|0.103884|4.089799|5.460123|0.139534|8.812883|0.216025|17.539461|8.840314|5.499943|0.123839|4.809942|0.127034|3.514278|5.666620|4.140722|2.481250|2.275955|1.932935|1.804786|1.903019|2.227261|8.588113|6.947801|6.277991|0.124599|3.729872|2.978108|0.045924|0.044894|0.052089|0.055589|0.109155|0.095195|0.302486|0.500000| |1.572194|1.583952|1.748714|1.962940|1.944831|1.718657|2.231445|2.484704|3.071471|0.063846|3.053975|0.084088|3.522538|4.826835|0.127816|5.515125|0.141466|8.842009|17.544139|8.876292|0.214149|5.485784|0.140737|4.086136|6.177383|5.107611|2.976858|2.843825|2.327211|2.091275|2.143593|2.526449|12.689947|4.093100|4.376475|0.087645|2.664016|2.273627|0.040376|0.040826|0.048040|0.046609|0.093935|0.088339|0.215446|0.212231|0.500000| |1.722707|1.735432|1.925905|2.180384|2.159999|1.892950|2.493839|2.794611|3.434682|0.070983|3.441900|0.089956|4.178669|5.655582|0.132189|6.816514|0.204665|8.823578|17.516060|8.863526|0.217697|6.771425|0.202598|4.514820|6.540806|5.632037|3.153289|2.928335|2.370710|2.188727|2.279329|2.761205|10.130263|4.540861|4.994799|0.105019|2.914005|2.522397|0.044008|0.044487|0.052712|0.051156|0.118250|0.101098|0.173665|0.214441|0.303617|0.500000| |1.750600|1.852311|2.117796|2.303334|2.120564|1.848364|2.306487|2.705250|3.691665|0.082305|3.119649|0.082887|4.133235|4.736624|0.119008|3.808197|0.105986|3.670334|4.597959|6.597812|0.227371|7.509561|0.218745|9.422761|10.879182|26.062714|9.016771|7.339088|4.678399|4.154206|4.403780|6.400280|9.319408|2.974450|3.833287|0.079090|2.309510|2.140574|0.044394|0.048298|0.060886|0.048260|0.115070|0.120580|0.094681|0.087010|0.111807|0.128378|0.500000| |1.754921|1.901869|2.202708|2.333978|2.081516|1.817334|2.204414|2.610359|3.740755|0.087133|2.908963|0.081712|3.590324|3.798088|0.108062|2.961971|0.078015|2.815763|3.127785|4.165335|0.120949|4.695693|0.117063|7.419045|13.645095|12.669957|17.611638|8.891649|6.821403|5.686109|6.827596|8.895733|7.662888|2.542052|3.385893|0.067237|2.125801|1.994865|0.044428|0.050149|0.065286|0.046849|0.092686|0.115815|0.078305|0.067648|0.079936|0.081897|0.182066|0.500000| |1.472791|1.564091|1.759576|1.860503|1.715257|1.529133|1.825152|2.086856|2.891910|0.064523|2.332814|0.064910|2.803431|3.132210|0.087153|2.653154|0.071184|2.698979|3.204816|4.188369|0.137694|4.025507|0.105207|5.090682|7.893333|9.694445|8.849894|17.540480|8.798161|5.480578|4.836872|5.499139|7.469414|2.242419|2.886225|0.058099|1.832560|1.708334|0.037820|0.041485|0.051152|0.040109|0.074992|0.083452|0.074386|0.066098|0.086088|0.085067|0.190180|0.215763|0.500000| |1.508423|1.608339|1.807590|1.896595|1.741308|1.557718|1.834810|2.088282|2.924807|0.065140|2.290363|0.062092|2.787232|2.997617|0.079917|2.571523|0.071378|2.547227|3.024932|3.796073|0.125473|3.881398|0.109548|4.752545|7.142557|9.702421|8.853622|17.467779|8.851554|6.776756|5.662584|6.797421|6.218200|2.166331|2.844121|0.058441|1.800452|1.706493|0.038757|0.042789|0.052737|0.040755|0.077464|0.082742|0.068090|0.063284|0.079586|0.084250|0.218120|0.174191|0.302361|0.500000| |1.445828|1.559872|1.753081|1.804384|1.636680|1.473504|1.697370|1.927509|2.756603|0.062282|2.074678|0.058204|2.406092|2.519858|0.071227|2.141791|0.057533|2.111264|2.349786|2.879720|0.086770|2.962417|0.078194|3.763138|6.627035|6.268991|6.787022|8.859399|17.508623|8.849507|6.783251|5.659875|5.279991|1.896814|2.522840|0.050598|1.643130|1.564987|0.037250|0.041944|0.051970|0.038372|0.064241|0.073734|0.058863|0.052681|0.062859|0.062822|0.115204|0.200824|0.214949|0.173831|0.500000| |1.343216|1.437789|1.597705|1.643474|1.508495|1.369464|1.564565|1.754041|2.482976|0.055231|1.883281|0.052127|2.183106|2.301049|0.063654|2.011956|0.054974|2.009382|2.281577|2.733038|0.085046|2.742397|0.074752|3.294489|5.506979|5.646250|5.498779|8.843441|17.552295|8.807553|5.491091|4.841447|4.830542|1.769408|2.340551|0.047511|1.526406|1.457940|0.034805|0.038744|0.046974|0.035887|0.059586|0.065280|0.055237|0.050768|0.061726|0.062244|0.112915|0.140016|0.211954|0.215418|0.303717|0.500000| |1.435935|1.565335|1.745797|1.753125|1.578810|1.439719|1.601172|1.793773|2.616828|0.058921|1.867549|0.051393|2.141032|2.146325|0.059118|1.861670|0.051201|1.797718|1.970128|2.315037|0.069009|2.460036|0.067836|2.987981|5.251439|4.858040|4.833437|5.486602|8.826561|17.549996|8.818191|5.488833|4.069268|1.673446|2.280569|0.046453|1.501770|1.464496|0.037190|0.042668|0.052390|0.037351|0.058875|0.065476|0.049270|0.045664|0.052284|0.054167|0.093552|0.127325|0.123127|0.139276|0.215114|0.211515|0.500000| |1.483583|1.609129|1.798248|1.823991|1.649099|1.497381|1.684021|1.891469|2.739269|0.061397|1.982979|0.053703|2.325185|2.340748|0.062980|2.033554|0.056781|1.958937|2.190392|2.585807|0.078858|2.768897|0.078591|3.338748|5.580861|5.747678|5.645141|6.762511|8.848693|17.499513|8.849422|6.776108|4.379928|1.793366|2.437626|0.050239|1.584042|1.543348|0.038334|0.043578|0.053563|0.038897|0.065214|0.070439|0.052802|0.049707|0.057669|0.061285|0.115740|0.131461|0.138954|0.199183|0.173726|0.214709|0.303516|0.500000| |1.718632|1.905791|2.189456|2.207024|1.932952|1.726386|1.960496|2.259161|3.382723|0.078948|2.351897|0.065134|2.742805|2.676489|0.074551|2.217325|0.060120|2.079090|2.234488|2.702196|0.077919|3.033996|0.081494|3.982288|7.514503|6.240671|6.787782|5.659957|6.785477|8.849093|17.503792|8.852319|4.821050|1.995068|2.760814|0.055646|1.796456|1.750625|0.043849|0.051490|0.066974|0.044159|0.073769|0.088017|0.057315|0.051867|0.057943|0.060514|0.109574|0.201202|0.126810|0.131153|0.199530|0.139287|0.214877|0.173715|0.500000| |1.746301|1.945882|2.221216|2.206521|1.930014|1.738595|1.931918|2.200084|3.321037|0.076636|2.243591|0.060639|2.621405|2.499349|0.067540|2.114582|0.058721|1.963878|2.115652|2.495353|0.072515|2.833591|0.079510|3.534850|6.348027|5.607149|5.493244|4.834775|5.491173|8.809540|17.547924|8.834191|4.283168|1.902010|2.666032|0.054738|1.737035|1.720365|0.044688|0.052960|0.068255|0.044400|0.073118|0.082761|0.053172|0.049576|0.054608|0.058686|0.104559|0.140102|0.106574|0.126783|0.139286|0.123134|0.211397|0.214689|0.303671|0.500000| |1.823793|1.992552|2.293616|2.377869|2.108903|1.863645|2.178528|2.527205|3.701366|0.084823|2.678118|0.070652|3.349176|3.270794|0.084671|2.705075|0.076495|2.492219|2.792485|3.418323|0.102553|4.047556|0.119245|5.217871|8.283610|9.612251|8.868296|6.808197|5.674189|6.782869|8.832701|17.487791|5.508353|2.315462|3.196631|0.066589|2.006623|1.953938|0.046299|0.052977|0.068474|0.047846|0.096041|0.104507|0.065748|0.061909|0.070321|0.078984|0.186335|0.174463|0.139832|0.200950|0.131268|0.127088|0.139258|0.199526|0.173567|0.214427|0.500000| |2.060589|2.294237|2.725112|2.832470|2.429192|2.103616|2.499956|2.994393|4.551091|0.109627|3.152256|0.084062|3.983848|3.700003|0.098069|2.905483|0.080018|2.594921|2.792957|3.463920|0.098026|4.340341|0.120150|6.157467|11.252114|9.541720|8.862676|5.504983|4.841441|5.484552|8.795692|17.550821|5.825426|2.533623|3.575349|0.073119|2.235184|2.180201|0.051602|0.060559|0.083152|0.053204|0.109585|0.134697|0.069636|0.063605|0.069500|0.076749|0.157476|0.216334|0.123701|0.139771|0.126797|0.106689|0.123090|0.139133|0.214618|0.211598|0.302416|0.500000| |1.574213|1.616685|1.810661|2.012685|1.936928|1.698563|2.188107|2.508128|3.200764|0.068725|3.083816|0.089412|3.611965|4.969757|0.151763|4.487355|0.107616|5.566014|7.021587|9.771282|0.236406|5.961124|0.131650|5.337721|8.299829|6.511393|3.842014|3.629007|2.904327|2.486914|2.553705|3.004308|35.731151|3.565428|4.038192|0.077845|2.489349|2.149078|0.040239|0.041872|0.050638|0.045382|0.090455|0.097447|0.173094|0.123477|0.205386|0.145084|0.130380|0.109421|0.116983|0.094648|0.081173|0.075524|0.061828|0.066194|0.070888|0.062981|0.079431|0.081845|0.500000| |2.247507|2.154841|2.366031|2.857583|3.093666|2.642036|4.028831|4.230423|4.481212|0.085361|5.600318|0.146055|4.915674|5.491165|0.140865|8.785632|0.215351|6.910187|4.560290|3.828354|0.088818|4.057076|0.108198|3.183568|5.493607|3.646434|2.257080|2.008964|1.752298|1.682268|1.820828|2.113831|6.368112|17.614268|12.409699|0.223939|7.184306|4.790408|0.056742|0.053455|0.061542|0.073756|0.129279|0.108116|0.172200|0.207874|0.109092|0.120486|0.073863|0.062480|0.056802|0.055266|0.048181|0.045530|0.042941|0.046072|0.050131|0.048250|0.058253|0.062394|0.088882|0.500000| |2.284995|2.234976|2.507138|3.050189|3.192045|2.660706|4.165101|4.716821|4.981438|0.097066|7.004220|0.218004|5.755493|6.806103|0.204454|8.767612|0.173770|6.841120|4.546667|4.195234|0.094182|4.523179|0.111072|3.658597|6.621306|4.008750|2.487787|2.172593|1.893932|1.801687|1.970407|2.289632|7.587127|17.602781|12.418378|0.181880|7.010203|4.570609|0.057132|0.055383|0.065928|0.072574|0.133093|0.128858|0.206404|0.169433|0.109021|0.111313|0.078503|0.070724|0.061861|0.058456|0.052847|0.048726|0.045977|0.048589|0.055126|0.051670|0.061567|0.068266|0.102660|0.301247|0.500000| |2.758896|2.528807|2.714774|3.371142|3.994665|3.428364|5.583505|4.997828|5.011879|0.090076|5.586607|0.145567|4.164079|3.920841|0.104855|4.742362|0.126214|3.844975|2.999958|2.753218|0.066794|3.025600|0.081838|2.598937|4.686020|3.032283|1.955444|1.735766|1.554988|1.522157|1.664447|1.891829|4.730553|7.366748|12.360269|0.217240|17.629769|8.761191|0.069338|0.061483|0.068066|0.099622|0.111039|0.096899|0.103300|0.109649|0.074621|0.081065|0.060483|0.054650|0.048377|0.047526|0.043026|0.040366|0.039319|0.041577|0.046202|0.044815|0.051886|0.056650|0.067082|0.231878|0.184699|0.500000| |3.005385|2.808549|3.098535|3.960973|4.597719|3.739096|6.713513|6.378373|6.108688|0.108881|7.204075|0.216491|4.667267|4.215372|0.119937|4.542260|0.113249|3.642189|2.892810|2.800106|0.067442|3.146476|0.082146|2.808570|5.286521|3.205170|2.090047|1.825401|1.643941|1.608849|1.781922|2.019634|4.995654|6.801873|12.428118|0.182577|17.622487|8.778288|0.073964|0.067553|0.077588|0.104250|0.115150|0.112228|0.102860|0.097471|0.071925|0.075989|0.062399|0.059558|0.050831|0.049210|0.046004|0.042309|0.041632|0.043422|0.050161|0.047818|0.054363|0.061312|0.070002|0.170046|0.204885|0.300901|0.500000| |4.087461|3.456780|3.569417|4.574629|6.468661|5.743660|8.881088|5.809619|6.021944|0.101279|4.875366|0.126767|3.578758|3.067315|0.083082|3.239789|0.088504|2.678442|2.273602|2.207942|0.055157|2.489359|0.068035|2.285666|4.246701|2.713979|1.810294|1.597459|1.462852|1.461780|1.620004|1.808587|3.833689|4.130099|7.626734|0.147056|8.967305|17.562333|0.100426|0.080832|0.084373|0.180269|0.097142|0.089836|0.072881|0.073624|0.057230|0.062115|0.053453|0.050885|0.043839|0.043566|0.040639|0.037837|0.038121|0.039821|0.045269|0.044347|0.049377|0.054980|0.054716|0.112936|0.110581|0.205688|0.220153|0.500000| 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