Version2.0 2020-02-03T18:28:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1[C@H]2C[NH+](C[C@@H]2CN(C(C)C)C(=O)c3ccc(cc3)F)Cc4ccc(cc4)N(C)C C34698739 RHF 6-31G(d) (6D,7F) Cc1ccccc1[C@H]2C[NH+](C[C@@H]2CN(C(C)C)C(=O)c3ccc(cc3)F)Cc4ccc(cc4)N(C)C C01[X(C31H39F1N3O1)] 219 C1 618 Fc1ccc(cc1)C(=O)N(C(C)C)C[C@H]1C[NH+](C[C@@H]1c1ccccc1C)Cc1ccc(cc1)N(C)C Fc1ccc(cc1)C(=O)N(C(C)C)C[C@H]1C[NH+](C[C@@H]1c1ccccc1C)Cc1ccc(cc1)N(C)C CC(C)N(C[C@H]1C[NH+](C[C@@H]1c2ccccc2C)Cc3ccc(cc3)N(C)C)C(=O)c4ccc(F)cc4 InChIKey=YOGWZPPUZHXQRT-VIZCGCQYSA-O InChI=1S/C31H38FN3O/c1-22(2)35(31(36)25-12-14-27(32)15-13-25)20-26-19-34(18-24-10-16-28(17-11-24)33(4)5)21-30(26)29-9-7-6-8-23(29)3/h6-17,22,26,30H,18-21H2,1-5H3/p+1/t26-,30+/m1/s1 InChI=1/C31H38FN3O/c1-22(2)35(31(36)25-12-14-27(32)15-13-25)20-26-19-34(18-24-10-16-28(17-11-24)33(4)5)21-30(26)29-9-7-6-8-23(29)3/h6-17,22,26,30H,18-21H2,1-5H3/p+1/t26-,30+/m1/s1/fC31H39FN3O/h34H/q+1 Cc1ccccc1[C@H]2C[NH+](C[C@@H]2CN(C(C)C)C(=O)c3ccc(cc3)F)Cc4ccc(cc4)N(C)C C01[X(C31H39F1N3O1)] 219 C01 618 Fc1ccc(cc1)C(=O)N(C(C)C)C[C@H]1C[NH+](C[C@@H]1c1ccccc1C)Cc1ccc(cc1)N(C)C Fc1ccc(cc1)C(=O)N(C(C)C)C[C@H]1C[NH](C[C@@H]1c1ccccc1C)Cc1ccc(cc1)N(C)C CC(C)N(C[C@H]1C[NH](C[C@@H]1c2ccccc2C)Cc3ccc(cc3)N(C)C)C(=O)c4ccc(F)cc4 InChIKey=ILUAUKGXAQUTSU-VIZCGCQYSA-N InChI=1S/C31H39FN3O/c1-22(2)35(31(36)25-12-14-27(32)15-13-25)20-26-19-34(18-24-10-16-28(17-11-24)33(4)5)21-30(26)29-9-7-6-8-23(29)3/h6-17,22,26,30,34H,18-21H2,1-5H3/t26-,30+/m1/s1 InChI=1/C31H39FN3O/c1-22(2)35(31(36)25-12-14-27(32)15-13-25)20-26-19-34(18-24-10-16-28(17-11-24)33(4)5)21-30(26)29-9-7-6-8-23(29)3/h6-17,22,26,30,34H,18-21H2,1-5H3/t26-,30+/m1/s1 3752.7958572146 -1534.0865181 1-A 27355.1294 131 487 618 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17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 6 6 6 6 6 6 6 6 1 6 7 1 6 6 1 6 7 6 6 6 6 8 6 6 6 6 6 6 9 6 6 6 6 6 6 6 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 12836.2526 38916.1686 47758.3069 0.99981 -0.01938 -0.00030 0.01937 0.99976 -0.01020 0.00049 0.01019 0.99995 1 0.00675 0.00223 0.00181 0.14060 0.04638 0.03779 15.13 20.22 25.11 33.26 40.46 49.44 65.54 67.48 74.63 88.50 101.78 109.77 116.50 133.29 157.43 181.82 207.78 222.41 235.76 260.55 271.14 277.22 298.64 315.35 350.15 358.47 371.08 389.69 407.04 415.98 440.00 465.15 477.63 502.60 523.04 554.64 579.87 614.90 629.22 638.78 650.75 669.08 676.34 680.04 691.95 698.38 726.06 743.77 750.35 815.45 826.66 833.26 840.37 867.44 892.87 915.18 955.42 981.47 994.63 999.82 1008.54 1019.18 1105.64 1138.45 1162.48 1165.90 1192.81 1235.32 1247.58 1261.97 1278.74 1292.20 1301.99 1322.94 1328.03 1349.38 1350.61 1386.25 1397.61 1421.34 1434.33 1449.62 1462.53 1480.42 1493.23 1495.21 1514.57 1549.81 1553.28 1560.73 1568.86 1569.50 1576.29 1579.84 1593.22 1593.94 1603.65 1613.26 1627.86 1667.48 1682.12 1692.23 1697.70 1711.87 1712.69 1742.87 1752.91 1763.36 1779.39 1790.57 1796.62 1796.79 1803.00 1807.38 1837.54 1844.16 1862.71 1864.92 1867.23 1872.01 1893.96 1895.66 1917.83 1921.17 1930.77 1940.56 1947.60 2010.21 2015.67 2047.27 2063.75 2066.31 2074.55 2086.26 2094.27 2142.22 2144.84 2148.21 2159.38 2171.85 2176.89 2185.29 2216.33 2227.58 2238.50 2247.84 2249.95 2262.45 2262.93 2273.62 2277.03 2291.92 2318.74 2319.73 2329.86 2340.82 2344.80 2358.15 2358.72 2359.85 2361.71 2365.71 2366.35 2368.69 2370.36 2377.96 2390.09 2393.66 2394.73 2405.59 2419.07 2449.16 2455.30 2516.99 2557.59 2567.73 2598.64 2603.64 2615.05 2705.87 4597.84 4608.17 4611.99 4625.35 4629.55 4635.23 4648.96 4683.82 4684.86 4687.75 4688.53 4698.55 4709.39 4711.11 4718.07 4747.89 4752.73 4756.49 4760.24 4766.44 4782.92 4783.68 4788.53 4795.74 4803.90 4810.47 4821.30 4842.29 4848.11 4865.26 4866.14 4879.61 4887.12 4889.06 4906.47 4910.85 4929.34 4930.14 5349.42 0.698187 0.731216 0.732160 0.627710 -1533.388331 -1533.355302 -1533.354358 -1533.458808 3.503270D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE Cc1ccccc1[C@H]2C[NH+](C[C@@H]2CN(C(C)C)C(=O)c3ccc(cc3)F)Cc4ccc(cc4)N(C)C C34698739 RHF 6-31G(d) (6D,10F) C1 488.307716 |X|Y|Z| 77.766130 141.270511 36.744676 73.905849 27 6 7 25 2 |36.858105| |12.565630|36.858105| |7.611252|13.679447|36.858105| |5.021855|7.855885|13.781831|36.858105| |4.413775|6.800780|7.966351|13.763510|36.858105| |4.983316|7.911039|6.947658|7.985354|13.788673|36.858105| |7.439011|13.613228|7.940490|6.829768|7.861157|13.673521|36.858105| |6.309258|7.468615|4.996774|4.419709|5.009942|7.573665|12.519878|36.858105| |7.667249|7.296409|4.766300|3.975469|4.182681|5.611590|8.930918|17.612973|0.500000| |4.657416|5.239789|3.981634|3.720603|4.294885|6.056685|7.417966|12.328338|0.248694|36.858105| |3.587259|3.885849|3.137035|3.018529|3.496681|4.658053|5.135458|7.812987|0.177814|12.608930|53.358707| |3.225289|3.619379|3.027704|3.018938|3.611368|4.794156|4.829051|6.483399|0.142883|9.322456|25.762429|0.500000| |3.689448|3.891034|3.107028|2.942119|3.345721|4.405307|5.032444|7.967423|0.193765|7.872449|17.235298|0.259068|36.858105| |4.558266|5.148972|3.932953|3.693253|4.282492|6.055540|7.329825|12.310270|0.249237|7.780690|10.926466|0.196860|12.496334|36.858105| |3.969801|4.763382|3.870282|3.856254|4.750628|6.871536|6.940962|8.789710|0.175521|6.680585|9.615315|0.203883|8.917693|17.535082|0.500000| |4.590452|4.824070|3.785715|3.455827|3.764290|4.794428|5.821285|7.459067|0.201655|5.000525|6.843758|0.126745|7.359013|12.406287|0.246359|36.858105| |3.454934|3.651942|3.102309|2.958475|3.240677|3.893253|4.243293|4.919503|0.130286|3.827007|5.588378|0.109514|5.787927|7.505431|0.196491|13.084527|53.358707| |3.173507|3.518204|3.151731|3.132395|3.478110|4.005744|4.045903|4.210508|0.107499|3.354600|4.739901|0.097222|4.399945|5.762727|0.176452|7.692410|17.467091|36.858105| |3.074858|3.323230|3.091518|3.036283|3.197416|3.464939|3.546621|3.502577|0.093354|2.810091|3.828309|0.077482|3.392014|4.266170|0.123242|5.723794|10.283888|12.453101|36.858105| |2.570451|2.844261|2.620968|2.683922|3.026357|3.397211|3.272292|3.414435|0.086484|2.936987|4.311316|0.091601|3.852250|4.516746|0.144615|5.106331|10.206711|12.453385|7.509724|36.858105| |2.946433|3.007347|2.585261|2.467051|2.677764|3.159890|3.424907|4.085774|0.111694|3.446165|5.322190|0.103456|5.610319|5.863996|0.150014|7.974845|18.992074|7.417073|5.416396|6.224198|36.858105| |2.963852|2.958974|2.501577|2.361940|2.559093|3.058077|3.386427|4.270000|0.119623|3.743404|6.058888|0.113419|6.810035|6.038584|0.144319|7.229882|11.612696|5.282258|4.119910|4.646343|15.748953|73.516695| |2.440786|2.483347|2.211612|2.139573|2.296444|2.607774|2.744531|3.105930|0.085163|2.723080|4.143344|0.082534|3.964795|4.057420|0.109716|5.049992|10.409121|6.094132|5.085895|6.094857|12.728644|14.505432|36.858105| |2.128933|2.175536|1.958141|1.917277|2.071633|2.336488|2.414224|2.730540|0.074161|2.502790|3.904262|0.079080|3.608119|3.479636|0.096108|3.934591|7.185281|4.587267|3.859963|5.143529|7.671207|11.636808|13.694850|36.858105| |1.868482|1.901546|1.741455|1.712942|1.832164|2.022821|2.072227|2.286700|0.062450|2.118925|3.237956|0.065917|2.861063|2.789788|0.077610|3.114940|5.387606|3.695669|3.344728|4.206233|5.062909|8.010551|7.908664|13.796418|36.858105| |1.831139|1.850976|1.710850|1.676790|1.769710|1.927244|1.981189|2.145883|0.059158|1.959925|2.917401|0.059041|2.550924|2.565146|0.071025|2.943049|5.055318|3.577437|3.472344|3.936973|4.488516|6.914896|6.925884|8.025177|13.794460|36.858105| |2.011018|2.020631|1.864025|1.810918|1.893948|2.060029|2.141037|2.303041|0.064037|2.051785|3.000263|0.060156|2.654851|2.755268|0.075502|3.308816|5.813855|4.119495|4.234922|4.261353|5.027200|7.354312|7.908189|6.864168|7.886631|13.825277|36.858105| |2.346727|2.360217|2.138589|2.059691|2.165209|2.397856|2.527320|2.760670|0.076870|2.396396|3.511181|0.069775|3.222592|3.418174|0.092398|4.351752|8.321539|5.507536|5.475693|5.277473|7.559042|9.857920|13.725781|7.942834|6.861718|8.021936|13.757427|36.858105| |1.631270|1.646156|1.538770|1.513980|1.588601|1.708363|1.745587|1.868103|0.051563|1.726535|2.548452|0.051754|2.172786|2.178872|0.060557|2.447498|4.032591|2.917632|2.899533|3.206656|3.422311|5.471937|4.677168|5.325257|8.184659|14.404974|8.188866|5.321588|97.533100| |3.015579|3.112844|2.599460|2.493551|2.793291|3.468003|3.774748|5.102881|0.132318|7.444336|17.143548|0.260426|7.524288|5.065771|0.126969|3.790799|4.454405|2.803106|2.347948|2.625658|3.295852|6.850831|2.687692|2.614325|2.212261|1.985265|2.010215|2.299544|3.952657|36.858105| |2.698650|2.833418|2.444840|2.392813|2.688237|3.238626|3.372362|4.148298|0.106189|6.084742|10.372322|0.204576|4.951969|3.914671|0.104190|3.038872|3.655976|2.407280|2.058022|2.297788|2.663611|5.306145|2.255484|2.218323|1.925325|1.743226|1.755655|1.971180|3.524162|12.704842|36.858105| |2.341684|2.503458|2.222130|2.230502|2.537441|2.988921|2.969394|3.476856|0.087550|4.677928|7.940949|0.181470|4.194636|3.439851|0.096145|2.725827|3.403230|2.298632|1.960699|2.260995|2.491295|4.866789|2.158560|2.164385|1.896038|1.705647|1.697372|1.884218|3.469410|7.576012|13.684108|36.858105| |2.111987|2.260645|2.055457|2.085372|2.351730|2.679199|2.616422|2.920496|0.074345|3.769026|5.764025|0.129335|3.255293|2.829597|0.079897|2.316397|2.918174|2.013261|1.750828|1.992126|2.121991|4.069072|1.876708|1.884685|1.680867|1.527486|1.518732|1.666092|3.141746|5.025568|7.870933|13.842135|36.858105| |2.116608|2.242271|2.051146|2.065254|2.287022|2.565192|2.537708|2.781648|0.072078|3.583960|5.085189|0.108620|2.908191|2.593759|0.072090|2.155817|2.681496|1.852160|1.637680|1.806851|1.935550|3.700023|1.715254|1.704798|1.530946|1.407615|1.409661|1.543375|2.907880|4.392767|6.714099|7.860118|13.522606|36.858105| |2.372764|2.472516|2.223025|2.191618|2.394928|2.718914|2.779015|3.099322|0.081693|4.130571|5.611223|0.113504|3.139370|2.785998|0.075409|2.304779|2.803530|1.908858|1.693915|1.826316|2.016251|3.890875|1.764878|1.732981|1.547879|1.429802|1.443781|1.591694|2.942208|5.014025|7.876438|6.914340|7.937395|13.536710|36.858105| |2.710594|2.799414|2.437534|2.362109|2.593280|3.046306|3.213642|3.790448|0.100224|5.427012|7.564733|0.144418|3.959164|3.365267|0.088728|2.708450|3.228042|2.149043|1.883212|2.029503|2.326986|4.573941|1.995000|1.945112|1.712799|1.574137|1.595839|1.779925|3.208843|7.538069|13.704076|8.019108|6.908428|7.855991|13.828580|36.858105| |1.889994|1.999983|1.867342|1.895283|2.076956|2.267156|2.219028|2.363695|0.061711|2.912205|4.040004|0.086283|2.416984|2.212342|0.061926|1.882723|2.367774|1.657162|1.484156|1.626553|1.707063|3.226272|1.534865|1.529340|1.389610|1.285797|1.285803|1.395430|2.677211|3.341236|4.533387|5.184145|7.871361|13.957042|7.872911|5.181927|53.358707| |1.699845|1.807395|1.705171|1.749427|1.924393|2.077843|2.004234|2.117294|0.055076|2.535495|3.590563|0.078069|2.207518|2.030946|0.057605|1.747369|2.236101|1.581076|1.417233|1.575611|1.619588|3.038633|1.474326|1.483321|1.357614|1.253656|1.245057|1.341326|2.623263|2.909518|3.744977|4.528794|6.729538|7.810281|5.090330|3.917890|17.881769|36.858105| |1.832994|1.914822|1.801244|1.813286|1.948710|2.096857|2.077507|2.185278|0.057994|2.641690|3.551146|0.073993|2.168817|2.013953|0.055784|1.742144|2.181156|1.526941|1.385306|1.486417|1.569197|2.959258|1.416070|1.402989|1.281876|1.195830|1.201119|1.300036|2.499207|2.907203|3.745575|3.919425|5.089546|7.811848|6.730118|4.527493|17.880311|7.626603|36.858105| |17.544705|8.777792|5.889693|4.284441|3.937108|4.536749|6.580670|6.343687|0.227437|5.123567|5.199467|0.093191|3.783516|4.394627|0.104698|4.192854|4.335810|2.868916|2.722070|2.383507|2.807224|5.166133|2.325335|2.059510|1.807540|1.756241|1.906309|2.208642|3.530795|3.292882|2.953525|2.500611|2.251138|2.286192|2.622531|3.037529|2.757177|1.796811|1.977573|0.500000| |17.546757|8.768340|5.905962|4.286436|3.928721|4.515984|6.539075|6.285857|0.227813|4.431605|4.907251|0.089142|3.936921|4.938755|0.115251|5.466514|5.405063|3.523930|3.450004|2.772715|3.353570|5.973529|2.735101|2.336185|2.034739|2.003900|2.230632|2.645655|3.981267|3.023840|2.630663|2.288206|2.041507|2.019832|2.247406|2.587975|2.448726|1.630383|1.734078|0.301832|0.500000| |17.607753|8.873875|7.416051|4.822033|3.992297|4.182882|5.540184|4.665178|0.148650|3.724516|4.065187|0.076042|3.052971|3.650564|0.091399|3.759442|4.074345|2.821298|2.824175|2.324087|2.591582|4.593025|2.208312|1.938589|1.726765|1.709228|1.879332|2.161480|3.458844|2.589081|2.367780|2.086205|1.912623|1.932229|2.151953|2.406042|2.382991|1.582386|1.715932|0.303315|0.303265|0.500000| |7.135103|8.934499|17.720649|8.965109|5.667366|4.990923|5.649284|4.071618|0.113157|3.361320|3.707178|0.072651|2.717059|3.319855|0.089640|3.305154|3.771327|2.804442|2.834724|2.356315|2.353467|4.056445|2.047600|1.817245|1.633400|1.618680|1.768138|2.009013|3.298748|2.325862|2.198401|2.002396|1.869233|1.881079|2.041259|2.217159|2.354397|1.582708|1.687545|0.154106|0.154982|0.232331|0.500000| |4.109305|5.614921|8.931216|17.726946|8.905696|5.662061|4.930335|3.537688|0.090510|3.092495|3.526359|0.072426|2.529061|3.073137|0.089316|2.935364|3.533760|2.782251|2.761781|2.439997|2.201915|3.737976|1.950026|1.761349|1.593117|1.569228|1.690675|1.897697|3.215945|2.196294|2.133565|2.014328|1.910311|1.901175|1.999487|2.119852|2.409280|1.647140|1.705600|0.099580|0.099701|0.115126|0.216586|0.500000| |3.533905|4.915181|5.652491|8.896449|17.726867|8.924689|5.614310|4.096995|0.096290|3.719267|4.327254|0.093652|3.022368|3.719843|0.117701|3.287887|4.025702|3.248494|2.987210|2.949054|2.485961|4.205785|2.174843|1.989960|1.775378|1.712329|1.816431|2.051565|3.480441|2.592006|2.542067|2.464001|2.318041|2.240321|2.296973|2.440678|2.802855|1.934864|1.921945|0.089784|0.089595|0.090853|0.124384|0.213808|0.500000| |4.053252|5.625196|4.988144|5.679562|8.994160|17.684349|8.885411|7.051089|0.141420|6.357816|7.184551|0.162293|4.835257|6.428182|0.228285|4.721078|5.432260|4.122016|3.399824|3.649688|3.287415|5.677991|2.707960|2.464902|2.118452|1.988999|2.098373|2.437943|3.956630|3.797001|3.565187|3.373009|2.981158|2.776316|2.881688|3.234989|3.304295|2.242779|2.197666|0.106568|0.105998|0.095840|0.108125|0.124647|0.217349|0.500000| |4.689454|4.839551|3.716153|3.374446|3.697661|4.810073|5.991131|8.678140|0.230873|17.664129|12.273294|0.186779|6.279204|5.825768|0.137440|4.276354|4.537408|2.909374|2.515657|2.562731|3.088753|6.059824|2.489536|2.302099|1.973214|1.835885|1.920013|2.220015|3.666247|7.437814|6.289491|4.516881|3.719891|3.701661|4.537382|6.262324|4.074835|2.546194|2.777844|0.154591|0.122054|0.105220|0.090001|0.079409|0.089624|0.133418|0.500000| |4.209308|5.039304|4.060462|3.986215|4.808719|6.807329|7.168281|8.617702|0.177425|17.680324|12.269204|0.243596|5.895870|6.133362|0.167109|4.203469|4.615103|3.124828|2.642722|2.803388|3.037290|5.703376|2.473652|2.301311|1.975423|1.832450|1.907772|2.198811|3.663632|6.188131|5.986094|4.902068|4.094262|3.919465|4.428572|5.509532|4.336085|2.758395|2.858061|0.125796|0.107583|0.096747|0.094006|0.091969|0.117393|0.208895|0.302957|0.500000| |3.746727|3.707828|2.945056|2.717454|2.980146|3.782646|4.490543|6.937407|0.199528|6.741754|12.335028|0.182552|17.643560|8.762998|0.173718|6.828878|7.224991|3.927295|3.180275|3.403564|5.470502|12.893739|3.901043|3.528272|2.820591|2.535680|2.653377|3.217397|4.868071|7.217290|4.648372|3.812865|3.013659|2.758596|3.042653|3.872848|3.138357|2.092239|2.102274|0.109230|0.113814|0.086239|0.073051|0.065483|0.074483|0.109943|0.171357|0.138813|0.500000| |3.087636|3.268085|2.720797|2.636195|3.008433|3.814677|4.090875|5.646541|0.140069|5.712291|12.241168|0.231938|17.698412|8.596570|0.214733|6.241284|7.907900|4.468242|3.361643|4.175967|6.167482|13.658712|4.409103|4.185761|3.224966|2.783043|2.830874|3.421934|5.284567|6.640300|4.602755|4.176382|3.227000|2.804042|2.931921|3.595036|3.196016|2.187710|2.084833|0.086813|0.091408|0.073104|0.066867|0.064083|0.077605|0.119136|0.132617|0.132501|0.302413|0.500000| |5.372729|5.835764|4.536417|4.036195|4.274917|5.329706|6.672482|7.182383|0.195537|4.616994|5.832630|0.110404|5.494604|8.944394|0.208143|17.602149|12.622314|7.547179|6.396303|4.793152|5.885074|9.258136|4.272904|3.378788|2.787072|2.707999|3.086496|3.959844|5.156417|3.301886|2.759577|2.491193|2.162988|2.041699|2.184436|2.525089|2.454249|1.673217|1.683464|0.127072|0.182399|0.121639|0.108716|0.093754|0.100856|0.136241|0.111157|0.112022|0.143198|0.131337|0.500000| |4.670638|4.464890|3.484385|3.094470|3.258633|4.021805|5.022091|6.651732|0.209712|4.727746|6.487428|0.115246|6.954356|8.857616|0.174551|17.622995|12.493520|5.695873|4.769731|4.159353|7.567324|13.957080|4.900288|3.834655|3.061625|2.910683|3.284960|4.299782|5.462506|3.806283|2.999034|2.639189|2.243505|2.109220|2.284511|2.707061|2.505925|1.699235|1.717566|0.121951|0.162359|0.106362|0.087009|0.074038|0.079401|0.108515|0.119188|0.107613|0.211534|0.161046|0.303485|0.500000| |3.510817|4.116842|3.681325|3.740471|4.315328|5.102729|4.949328|4.899389|0.119034|3.782564|5.171433|0.107640|4.641457|6.652516|0.224445|7.910606|12.783263|17.577175|9.026245|9.074506|5.809797|8.228638|4.657088|3.776004|3.113173|2.987046|3.337888|4.212491|5.651934|2.956534|2.564081|2.444228|2.142292|1.973749|2.036338|2.292791|2.397190|1.673134|1.619127|0.087101|0.105872|0.085569|0.088255|0.090203|0.110617|0.146356|0.088770|0.099490|0.111108|0.126165|0.236270|0.153644|0.500000| |2.700814|2.836391|2.650693|2.594082|2.706904|2.910639|2.991637|3.022818|0.081987|2.502345|3.468847|0.070058|3.069797|3.648226|0.103537|4.782170|8.834974|8.745085|17.615157|6.870018|5.348184|7.158444|5.662196|4.208886|3.755517|4.088956|5.304576|6.896305|7.571530|2.181482|1.915073|1.833197|1.642222|1.535426|1.583379|1.753747|1.901428|1.340028|1.306189|0.067573|0.084164|0.069754|0.068733|0.066539|0.071108|0.080131|0.063167|0.065259|0.081520|0.086200|0.139272|0.118048|0.174806|0.500000| |2.892831|3.207315|3.104389|3.148008|3.315416|3.452734|3.392657|3.212388|0.084356|2.626914|3.534289|0.072617|3.016862|3.760495|0.112234|4.620339|7.564218|8.855913|17.557911|6.795365|4.248082|6.056012|4.082185|3.314661|2.963719|3.077020|3.623690|4.340754|5.966645|2.178355|1.947266|1.874029|1.692385|1.586925|1.630980|1.793148|1.971797|1.389658|1.353674|0.070951|0.087617|0.074990|0.079213|0.080926|0.087804|0.093861|0.065321|0.070166|0.077820|0.083069|0.145714|0.108057|0.222999|0.302681|0.500000| |3.529326|3.729178|3.431731|3.249370|3.309319|3.581673|3.828813|3.730017|0.102297|2.904073|3.849163|0.076398|3.401805|4.362772|0.120180|6.178861|9.624370|8.765746|17.561984|5.469208|5.058749|7.158655|4.522109|3.449535|3.000503|3.124015|3.819242|4.907822|5.950415|2.361490|2.063332|1.937339|1.731660|1.636380|1.711183|1.909834|2.016864|1.404095|1.392651|0.084691|0.113328|0.090238|0.088240|0.081446|0.083659|0.094260|0.072993|0.075054|0.090579|0.090658|0.212080|0.147524|0.210952|0.301043|0.301790|0.500000| |2.517678|2.795369|2.545886|2.617500|3.011675|3.463735|3.303306|3.557146|0.088463|3.158898|4.828293|0.105112|4.335142|4.855494|0.161320|5.027144|9.494967|8.763183|5.467538|17.549428|6.299959|8.836655|5.852560|5.387665|4.243889|3.738693|3.840987|4.653292|6.892643|2.917913|2.537675|2.528072|2.198703|1.961660|1.967323|2.196273|2.385095|1.702558|1.583894|0.065955|0.074652|0.062688|0.063144|0.065735|0.082010|0.107267|0.075622|0.083903|0.102949|0.137303|0.124677|0.114209|0.212825|0.140298|0.139312|0.122493|0.500000| |2.453798|2.763979|2.621166|2.754709|3.126466|3.390905|3.149334|3.147367|0.079153|2.736930|3.922344|0.084406|3.343331|3.943038|0.128619|4.277021|7.554245|8.917792|6.841860|17.562498|4.625981|6.579086|4.573223|4.057732|3.536281|3.397109|3.640900|4.239493|6.497399|2.404742|2.155710|2.142444|1.916744|1.746056|1.753484|1.923919|2.158516|1.544263|1.451634|0.062875|0.072296|0.062364|0.065489|0.070469|0.086677|0.101135|0.066497|0.074268|0.082200|0.098538|0.117645|0.098143|0.225560|0.169604|0.202499|0.139936|0.301730|0.500000| |2.332349|2.514104|2.329792|2.359272|2.598049|2.867977|2.816408|2.961775|0.077055|2.590707|3.820728|0.080156|3.401474|3.798986|0.115387|4.388256|8.748484|8.696633|6.827155|17.639124|6.113740|8.023414|7.171593|6.111868|5.156931|4.923769|5.340113|6.473653|8.731192|2.402013|2.106955|2.076302|1.840379|1.674867|1.691694|1.871794|2.063557|1.474308|1.391486|0.060452|0.070291|0.059252|0.059187|0.060338|0.070415|0.084289|0.064105|0.068364|0.086308|0.103309|0.113927|0.105174|0.174824|0.204327|0.168094|0.139804|0.301173|0.302845|0.500000| |2.124642|2.183536|1.953647|1.920197|2.097592|2.392641|2.461097|2.834863|0.076182|2.664638|4.298809|0.087789|3.986735|3.651316|0.101353|3.904042|6.803205|4.270294|3.465700|4.821410|7.145473|12.290861|8.916600|17.739817|8.951505|5.686914|4.949670|5.652189|9.631891|2.907271|2.443170|2.403103|2.066420|1.844678|1.865377|2.104623|2.236410|1.596417|1.494469|0.057723|0.064152|0.053392|0.050068|0.048821|0.056103|0.071187|0.067790|0.067961|0.106892|0.135196|0.091428|0.105275|0.101873|0.100599|0.084252|0.087128|0.151906|0.107202|0.147586|0.500000| |1.716736|1.750066|1.611303|1.593140|1.706957|1.875825|1.907427|2.099423|0.057154|1.983578|3.047318|0.062488|2.630679|2.521026|0.070556|2.726514|4.536424|3.152486|2.854627|3.619820|4.112952|6.837631|5.617058|8.861559|17.748372|8.954557|5.640180|4.948947|16.745020|2.118114|1.865019|1.857486|1.655775|1.502947|1.508508|1.658160|1.864094|1.346999|1.261013|0.046452|0.051417|0.044220|0.042050|0.041337|0.046249|0.054845|0.051548|0.051747|0.071910|0.082786|0.068205|0.074508|0.076086|0.087111|0.071954|0.071808|0.104186|0.087307|0.118901|0.213475|0.500000| |1.923404|1.921501|1.791852|1.738056|1.796797|1.928432|2.004202|2.122134|0.059352|1.889462|2.719050|0.054452|2.363188|2.476898|0.067814|2.963640|4.997752|3.636991|3.961985|3.677651|4.081025|6.147677|5.618531|4.950543|5.638529|8.962286|17.748501|8.851372|16.739198|1.830116|1.614904|1.559967|1.407691|1.316221|1.349760|1.483204|1.643353|1.169305|1.134147|0.050456|0.059170|0.050496|0.047655|0.045416|0.047919|0.054046|0.049446|0.049057|0.065882|0.068832|0.078865|0.082189|0.083828|0.139559|0.096448|0.101465|0.091186|0.090838|0.123869|0.107527|0.124590|0.500000| |2.559448|2.549132|2.307476|2.195413|2.276004|2.508582|2.682104|2.889979|0.081521|2.446419|3.494348|0.068813|3.196881|3.519612|0.093786|4.715203|8.773711|5.839941|6.509932|5.000773|6.960418|9.197952|8.906898|5.646995|4.949623|5.693735|8.963917|17.754405|9.639768|2.266193|1.945502|1.841658|1.633781|1.526618|1.585751|1.774762|1.880424|1.320875|1.294083|0.065947|0.081486|0.065703|0.060513|0.056090|0.059298|0.069569|0.063125|0.062165|0.089329|0.091174|0.123783|0.130741|0.123861|0.238582|0.136039|0.170879|0.118854|0.114847|0.159027|0.124210|0.107518|0.214077|0.500000| |2.687791|2.764102|2.347299|2.270138|2.538628|3.096041|3.304625|4.336019|0.113513|5.552283|12.458513|0.221890|7.291132|4.704100|0.120370|3.672595|4.516839|2.819284|2.341580|2.704165|3.480374|7.413186|2.866180|2.859654|2.401338|2.116065|2.112007|2.406311|4.199517|17.608525|8.859814|7.033015|4.695743|3.935703|4.218350|5.683005|4.193695|2.778338|2.664723|0.079837|0.076213|0.064934|0.058794|0.056107|0.066299|0.094858|0.148362|0.133471|0.195691|0.208123|0.087271|0.102645|0.080864|0.061182|0.060042|0.064591|0.084788|0.068037|0.069477|0.090608|0.064357|0.052933|0.064782|0.500000| |3.195255|3.162822|2.607051|2.440729|2.663487|3.267202|3.706745|5.071015|0.142097|6.988899|12.412333|0.182920|6.815165|4.791117|0.114623|3.768822|4.332886|2.683929|2.294197|2.465818|3.224434|6.804494|2.627347|2.523938|2.147381|1.947696|1.988454|2.277077|3.883730|17.626900|8.825386|5.606241|4.177744|3.918420|4.703605|7.098088|4.178334|2.648699|2.774062|0.099510|0.089597|0.075960|0.065554|0.059771|0.067811|0.095593|0.224700|0.153053|0.212646|0.158912|0.091662|0.109841|0.077856|0.059469|0.058751|0.065078|0.074562|0.062604|0.063323|0.076801|0.056846|0.050553|0.062922|0.301954|0.500000| |2.250949|2.417540|2.152017|2.174319|2.492564|2.940360|2.886852|3.391061|0.084734|4.346608|7.870573|0.190897|4.402651|3.541718|0.101027|2.812880|3.597739|2.433004|2.046022|2.441879|2.667613|5.211749|2.320951|2.362836|2.057868|1.827103|1.801389|1.998501|3.703607|6.997867|8.879297|17.664409|9.027094|5.625615|4.970006|5.666859|5.725978|3.965604|3.279977|0.065738|0.061896|0.055720|0.053796|0.054630|0.067756|0.093726|0.112098|0.123957|0.108423|0.129024|0.070509|0.074902|0.071362|0.053330|0.054213|0.055501|0.077276|0.063923|0.062287|0.074065|0.056287|0.045658|0.053685|0.208406|0.141801|0.500000| |1.925900|2.069725|1.907573|1.956146|2.209389|2.477567|2.380810|2.610818|0.066426|3.233711|4.948649|0.112901|2.926662|2.584084|0.074116|2.150517|2.760268|1.929163|1.681655|1.940139|2.014182|3.823130|1.807209|1.833092|1.648220|1.495238|1.476723|1.607445|3.091169|4.120685|5.645657|9.034415|17.791684|8.821380|5.630890|4.977045|9.685768|7.635015|4.627668|0.056335|0.051934|0.048818|0.048355|0.050224|0.061372|0.076932|0.087160|0.097407|0.074944|0.082412|0.055958|0.057527|0.056802|0.044004|0.045404|0.045864|0.059655|0.052196|0.049977|0.055899|0.045416|0.038044|0.043573|0.112040|0.096673|0.221010|0.500000| |2.317118|2.383977|2.165235|2.120900|2.275161|2.535163|2.611149|2.849561|0.076476|3.663309|4.778717|0.095214|2.779818|2.525815|0.067995|2.134263|2.592911|1.772794|1.594417|1.687639|1.859552|3.568554|1.638429|1.602187|1.441135|1.341673|1.359459|1.493065|2.772968|4.109485|5.649508|4.980147|5.630692|8.827692|17.792205|9.033550|9.687605|4.628195|7.635824|0.071674|0.060473|0.059088|0.055863|0.054163|0.060492|0.073096|0.114198|0.108311|0.075990|0.071749|0.056835|0.059159|0.052433|0.041474|0.042757|0.044998|0.049982|0.045182|0.043610|0.047496|0.038987|0.035502|0.041522|0.097683|0.112527|0.107928|0.123308|0.500000| 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