Version2.1 2020-12-28T02:27:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 19-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)C(c2ccccc2)NC(=O)[C@@H]3CCC[NH+]3CC(=O)Nc4cccc(c4)C#N C39266353 RHF 6-31G(d) (6D,7F) c1ccc(cc1)C(c2ccccc2)NC(=O)[C@@H]3CCC[NH+]3CC(=O)Nc4cccc(c4)C#N C01[X(C27H27N4O2)] 174 C1 549 N#Cc1cccc(c1)NC(=O)C[NH+]1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 N#Cc1cccc(c1)NC(=O)C[NH+]1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 O=C(C[NH+]1CCC[C@H]1C(=O)NC(c2ccccc2)c3ccccc3)Nc4cccc(c4)C#N InChIKey=RGZMJPUWHGTFCA-DEOSSOPVSA-O InChI=1S/C27H26N4O2/c28-18-20-9-7-14-23(17-20)29-25(32)19-31-16-8-15-24(31)27(33)30-26(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,9-14,17,24,26H,8,15-16,19H2,(H,29,32)(H,30,33)/p+1/t24-/m0/s1 InChI=1/C27H26N4O2/c28-18-20-9-7-14-23(17-20)29-25(32)19-31-16-8-15-24(31)27(33)30-26(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,9-14,17,24,26H,8,15-16,19H2,(H,29,32)(H,30,33)/p+1/t24-/m0/s1/fC27H27N4O2/h29-31H/q+1 c1ccc(cc1)C(c2ccccc2)NC(=O)[C@@H]3CCC[NH+]3CC(=O)Nc4cccc(c4)C#N C01[X(C27H27N4O2)] 174 C01 549 N#Cc1cccc(c1)NC(=O)C[NH+]1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 N#C[C]1[CH][CH][CH][C]([CH]1)NC(=O)C[NH]1CCC[C@H]1[C]([NH]C([C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1)=O O=C(C[NH]1CCC[C@H]1C(=O)NC([C]2[CH][CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH][CH]3)N[C]4[CH][CH][CH][C]([CH]4)C#N InChIKey=SVMLZINSQITPED-DEOSSOPVSA-N InChI=1S/C27H27N4O2/c28-18-20-9-7-14-23(17-20)29-25(32)19-31-16-8-15-24(31)27(33)30-26(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,9-14,17,24,26,31H,8,15-16,19H2,(H,29,32)(H,30,33)/t24-/m0/s1 InChI=1/C27H27N4O2/c28-18-20-9-7-14-23(17-20)29-25(32)19-31-16-8-15-24(31)27(33)30-26(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,9-14,17,24,26,31H,8,15-16,19H2,(H,29,32)(H,30,33)/t24-/m0/s1/f/h29-30H 3066.7104624366 -1405.5355139 1-A 22795.5480 116 433 549 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0.8198 0.8337 0.3104 0.6726 0.2103 0.1966 0.2997 0.4327 0.2159 0.2461 0.2604 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 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 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 8 6 1 6 6 6 7 1 6 6 8 7 6 6 6 6 6 6 6 7 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 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 8976.4820 36773.0078 38375.7000 0.99998 -0.00321 0.00544 0.00304 0.99951 0.03125 -0.00554 -0.03123 0.99950 1 0.00965 0.00236 0.00226 0.20105 0.04908 0.04703 7.16 9.81 12.48 18.12 40.79 56.89 69.93 74.54 80.76 91.09 104.23 108.00 136.99 187.83 224.05 241.21 265.58 288.31 303.70 349.31 367.46 377.27 404.89 429.49 443.91 449.77 511.08 555.30 576.46 621.41 651.41 656.26 706.59 713.75 731.88 740.85 767.32 785.47 786.77 837.41 897.19 904.99 921.25 933.69 949.61 973.34 977.32 992.44 1018.45 1029.08 1059.61 1091.69 1121.64 1124.09 1140.95 1168.67 1191.43 1211.49 1235.90 1278.39 1299.78 1317.77 1342.48 1375.88 1383.53 1384.12 1407.89 1452.26 1465.17 1481.47 1495.62 1500.82 1503.91 1509.39 1533.91 1552.65 1568.13 1569.33 1569.51 1574.48 1588.01 1595.68 1617.07 1617.15 1627.86 1634.42 1636.67 1639.16 1646.37 1701.52 1709.69 1710.74 1726.38 1738.72 1746.45 1758.00 1761.04 1767.67 1822.74 1850.48 1859.37 1878.25 1881.24 1894.84 1904.74 1913.33 1932.62 1933.79 1946.05 1969.77 1990.26 2009.16 2039.14 2064.60 2082.99 2091.11 2106.48 2116.46 2119.55 2147.70 2164.77 2191.14 2202.72 2231.62 2253.74 2303.36 2327.95 2337.53 2338.26 2354.84 2371.76 2377.90 2392.79 2403.76 2407.10 2412.11 2465.80 2502.47 2568.30 2570.86 2582.14 2601.87 2606.36 2612.43 2776.92 2822.65 3762.53 4678.80 4687.24 4694.00 4706.80 4738.14 4739.99 4764.88 4779.29 4780.10 4817.19 4819.39 4836.49 4837.09 4848.50 4852.48 4860.28 4863.53 4868.13 4882.59 4884.79 4887.56 4897.70 4908.55 4966.04 5075.22 5546.56 5554.57 0.534861 0.562269 0.563213 0.467372 -1405.000653 -1404.973245 -1404.972301 -1405.068142 3.214523D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE c1ccc(cc1)C(c2ccccc2)NC(=O)[C@@H]3CCC[NH+]3CC(=O)Nc4cccc(c4)C#N C39266353 RHF 6-31G(d) (6D,10F) C1 439.213401 |X|Y|Z| 55.201958 46.538365 132.598181 69.839489 29 6 7 26 3 |36.858105| |13.726190|36.858105| |7.945152|13.784905|36.858105| |6.830261|7.891487|13.671842|36.858105| |7.923475|6.874357|7.958973|13.732257|36.858105| |13.779213|7.953811|6.899268|7.909157|13.718475|36.858105| |4.415647|5.022944|7.598902|12.481046|7.440215|4.974361|36.858105| |3.668342|3.837204|4.995559|7.386137|6.354428|4.357337|12.516338|36.858105| |3.270918|3.416382|4.259411|5.590699|5.013547|3.767743|7.602399|13.720984|36.858105| |2.768140|2.800793|3.296491|4.110566|4.008123|3.197177|5.024479|7.902989|13.754028|36.858105| |2.591767|2.564365|2.957306|3.700724|3.781384|3.046101|4.418494|6.827887|7.934578|13.753861|36.858105| |2.775346|2.727101|3.171715|4.103769|4.267859|3.332835|4.982303|7.898899|6.890956|7.957821|13.753450|36.858105| |3.283368|3.285844|4.001030|5.575284|5.553158|3.996002|7.461274|13.708463|7.969262|6.891737|7.933987|13.748274|36.858105| |3.849684|4.371589|6.101542|7.842855|5.637388|4.190295|12.914641|7.666691|5.173530|3.944750|3.751178|4.440391|6.478673|53.358707| |3.092508|3.521077|4.620033|5.235418|4.065987|3.255466|7.738156|5.885783|4.507396|3.596759|3.424446|3.924584|5.208795|19.527311|36.858105| 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|2.013841|2.188700|2.527783|2.660484|2.360989|2.077271|3.155916|2.939852|2.578897|2.343161|2.360467|2.627812|2.973580|5.456952|5.280330|8.966176|7.867063|0.175930|7.954944|12.540414|36.858105| |2.309806|2.579148|3.071888|3.193869|2.718374|2.358501|3.896817|3.420201|2.949366|2.579464|2.528099|2.805703|3.301764|7.106253|7.828241|13.146215|12.663469|0.250562|7.847424|8.093445|12.673854|53.358707| |2.285980|2.562371|3.091689|3.240490|2.727125|2.342294|4.098305|3.655927|3.217043|2.797260|2.697444|2.940554|3.440314|7.140366|8.259176|17.192944|9.407698|0.186208|6.588096|7.176723|9.263405|25.425881|0.500000| |2.272134|2.585364|3.024874|2.982680|2.526721|2.252871|3.447863|2.939798|2.599501|2.269699|2.190329|2.381652|2.771534|5.961381|5.832264|10.153077|7.577463|0.207706|5.125010|5.105034|7.531284|17.524685|0.263787|36.858105| |1.989736|2.249521|2.589667|2.542249|2.183036|1.966952|2.922381|2.581940|2.374707|2.110060|2.020164|2.142448|2.421108|4.698296|4.409336|8.503746|5.006167|0.130974|3.919746|4.265503|6.113886|10.595598|0.214328|12.438852|36.858105| |1.894038|2.119768|2.450186|2.455715|2.121425|1.895402|2.884380|2.627355|2.454157|2.204474|2.109487|2.215956|2.469982|4.542596|4.314066|8.823222|4.697213|0.115819|3.887035|4.495861|6.252773|9.909508|0.234926|8.084951|15.907737|73.516695| |1.879182|2.127484|2.392754|2.295504|1.991570|1.830263|2.547763|2.249429|2.094456|1.873499|1.789886|1.882971|2.107719|3.979359|3.515543|6.617324|3.881984|0.107424|3.156260|3.339065|4.451211|7.081801|0.140064|7.877284|14.205176|14.928831|53.358707| |1.679394|1.884393|2.088548|2.004743|1.762655|1.634312|2.203365|1.986902|1.888915|1.713577|1.633945|1.695489|1.864811|3.329984|2.861166|5.465890|3.052685|0.083585|2.605421|2.794945|3.537032|5.274639|0.108478|5.014177|7.699023|11.616135|18.200821|36.858105| |1.560877|1.738260|1.890734|1.804890|1.608399|1.511100|1.943240|1.760554|1.675379|1.531717|1.469069|1.524892|1.666484|2.915776|2.436807|4.539866|2.617056|0.073225|2.286721|2.425190|2.992501|4.320566|0.086666|3.990925|5.231701|8.041729|10.782451|13.723273|36.858105| |1.420631|1.570306|1.693182|1.620365|1.457255|1.376435|1.734895|1.592545|1.533916|1.415962|1.357481|1.397106|1.510066|2.556995|2.106360|3.944151|2.222140|0.061724|1.984447|2.109664|2.521208|3.576566|0.072875|3.130513|3.936037|6.501363|7.040724|7.928334|13.778510|36.858105| |1.378997|1.521651|1.647530|1.585900|1.426171|1.341854|1.710739|1.586069|1.545487|1.433597|1.368311|1.395777|1.498463|2.490406|2.055237|3.916936|2.127933|0.058143|1.913189|2.051157|2.414677|3.422764|0.071466|2.903320|3.697912|6.473344|6.170808|6.855804|7.943753|13.770134|36.858105| |1.459566|1.617878|1.774826|1.717638|1.531415|1.426761|1.881794|1.746776|1.709266|1.580131|1.499299|1.523951|1.638873|2.736658|2.293969|4.471773|2.346414|0.063028|2.091016|2.263702|2.679501|3.849396|0.082446|3.241132|4.339126|7.977860|6.984047|7.978712|6.917790|7.975317|13.727400|36.858105| |1.614667|1.805612|2.009256|1.944919|1.711765|1.580090|2.159945|1.978866|1.914940|1.748581|1.655918|1.696175|1.846799|3.195062|2.745099|5.413276|2.828891|0.075467|2.455228|2.668262|3.267002|4.831123|0.104389|4.228346|6.307146|11.533968|10.546118|13.766213|7.923997|6.845128|7.866539|13.704934|36.858105| |1.391471|1.533843|1.681978|1.639807|1.469019|1.366806|1.802474|1.698756|1.687822|1.575156|1.488831|1.495936|1.591524|2.576643|2.143471|4.227799|2.148512|0.057062|1.943941|2.109957|2.424291|3.457946|0.075449|2.787978|3.573106|6.890570|5.292578|5.141993|4.536597|5.129594|7.768536|13.179390|7.805460|36.858105| |1.334847|1.463890|1.602128|1.570252|1.413912|1.315748|1.726279|1.646039|1.653650|1.556447|1.468349|1.462698|1.542604|2.437666|2.011211|3.980795|1.991979|0.052642|1.823575|1.977685|2.223152|3.152993|0.069277|2.477718|3.069800|5.998874|4.386844|3.976681|3.571028|3.964824|5.461628|7.381191|5.490852|16.777468|53.358707| |17.724923|8.902506|5.649026|4.930378|5.638338|8.919545|3.535059|3.052831|2.789406|2.430195|2.297453|2.437012|2.800116|4.332254|2.650833|4.313843|2.380200|0.070062|2.174064|1.869496|1.829520|2.816971|0.056707|2.055735|1.820018|3.076848|2.366565|1.567618|1.471250|1.346783|1.305311|1.371971|1.505722|1.308856|1.711151|0.500000| |8.901718|17.721044|8.932114|5.626989|4.953087|5.651543|4.106009|3.228802|2.953514|2.470108|2.263914|2.379496|2.802707|5.078978|3.164454|5.215462|2.769249|0.082497|2.383551|2.057629|2.077783|3.324795|0.067255|2.513092|2.212666|3.675135|2.900378|1.898874|1.765637|1.598185|1.543169|1.630811|1.812060|1.540768|1.996908|0.214488|0.500000| |5.651325|8.945661|17.689816|8.896774|5.652183|4.963549|7.108223|4.630412|4.064341|3.144245|2.790925|2.953603|3.676705|8.327365|5.002708|8.260063|3.894827|0.112846|3.120106|2.644636|2.681780|4.563394|0.094692|3.393702|2.908629|4.843671|3.662744|2.328953|2.086100|1.854567|1.804249|1.956129|2.237379|1.843745|2.377305|0.124266|0.216092|0.500000| |5.653196|4.955571|5.648366|8.900204|17.748947|8.943684|6.846350|7.141992|5.471163|4.549844|4.493341|5.296684|6.942776|7.249573|3.931254|6.161431|3.267543|0.089822|3.152835|2.586006|2.352784|3.612800|0.074270|2.412409|2.098277|3.670285|2.586895|1.689884|1.541242|1.401392|1.376585|1.480334|1.649964|1.427230|1.877005|0.124341|0.107576|0.124035|0.500000| |8.924226|5.650833|4.966184|5.639584|8.925388|17.723820|4.059788|3.813358|3.380190|2.999700|2.932681|3.202391|3.678803|4.812319|2.837819|4.548938|2.519544|0.072262|2.402669|2.032770|1.915905|2.902646|0.058715|2.030197|1.789017|3.079816|2.274263|1.503584|1.398872|1.281424|1.250422|1.324262|1.456522|1.272761|1.672848|0.214925|0.124157|0.107713|0.216593|0.500000| |4.014717|4.793891|7.281025|8.970416|5.687508|4.239936|17.643018|9.013853|7.382385|4.825389|4.023538|4.235550|5.669221|12.677461|7.445449|13.489379|4.693584|0.120223|3.828877|3.242489|3.123849|5.368718|0.119425|3.586140|3.118045|5.505130|3.699434|2.358937|2.056508|1.836457|1.823765|2.026466|2.338813|1.948320|2.541028|0.091287|0.113738|0.219891|0.143166|0.097492|0.500000| |3.314512|3.571737|4.493885|5.511379|4.688082|3.664178|7.092681|8.911628|17.706019|8.937517|5.649763|4.960472|5.655566|6.509490|4.278080|8.228933|3.198574|0.081380|2.930149|2.640452|2.468974|3.899969|0.087530|2.594434|2.403508|4.405041|2.911811|1.940640|1.717087|1.575978|1.594427|1.769483|1.980101|1.753783|2.343163|0.078641|0.086871|0.122871|0.132278|0.089979|0.224612|0.500000| |2.528128|2.562843|2.952365|3.514665|3.426528|2.853039|4.107015|5.635937|8.931527|17.725745|8.913683|5.652870|4.962411|4.506507|3.097567|5.834611|2.542859|0.064546|2.507561|2.345539|2.131395|3.171443|0.070382|2.084974|1.974090|3.682399|2.409527|1.639453|1.469985|1.369794|1.395692|1.538840|1.687642|1.548456|2.098473|0.062607|0.063845|0.079243|0.104694|0.075048|0.114590|0.216207|0.500000| |2.299864|2.259088|2.544901|3.078232|3.181495|2.668159|3.536945|4.929265|5.643436|8.909269|17.726779|8.910466|5.643247|4.234359|2.905790|5.204926|2.516834|0.063733|2.653988|2.477015|2.154398|3.080575|0.066790|1.978067|1.847283|3.441246|2.244791|1.520282|1.374961|1.279110|1.293041|1.412298|1.546372|1.410257|1.902815|0.057599|0.056145|0.067112|0.103152|0.072687|0.091450|0.124242|0.214633|0.500000| |2.539109|2.464892|2.796912|3.507895|3.726760|3.031461|4.065262|5.631855|4.961347|5.652732|8.914319|17.717483|8.923733|5.251463|3.485262|5.809468|3.110386|0.078555|3.498130|3.081091|2.548514|3.599087|0.075777|2.244124|2.020625|3.709967|2.427669|1.610706|1.458630|1.339226|1.334596|1.448974|1.605289|1.420534|1.890374|0.062907|0.060350|0.072479|0.127105|0.082796|0.097248|0.107651|0.124174|0.214732|0.500000| |3.339797|3.318866|3.993107|5.481854|5.564939|4.069818|6.870562|8.883221|5.649778|4.960592|5.654465|8.955973|17.700458|9.678366|5.512662|8.140582|4.630958|0.116852|5.046119|3.858309|3.192158|4.785716|0.098459|2.918411|2.485895|4.446835|2.940830|1.891616|1.697610|1.528710|1.503897|1.635090|1.848779|1.572702|2.061675|0.079253|0.078599|0.101250|0.189956|0.104448|0.142014|0.124018|0.107664|0.124364|0.216697|0.500000| |4.067330|4.477815|5.900338|7.461411|5.911962|4.483735|8.957306|6.246831|4.363309|3.502033|3.451954|4.187529|5.972238|26.029411|9.445496|10.832425|7.478457|0.214282|6.089328|4.202285|3.860160|6.543740|0.126670|4.124155|3.201937|5.409243|3.762349|2.314124|2.059541|1.806024|1.742936|1.891153|2.190716|1.771027|2.276553|0.093459|0.105293|0.154893|0.154619|0.105516|0.183142|0.111220|0.082417|0.080926|0.104982|0.202278|0.500000| |2.555431|2.680097|3.181473|3.732006|3.410560|2.812298|4.702612|4.712091|3.667276|3.300678|3.536626|4.449065|5.492860|8.852310|7.284247|10.029153|8.695069|0.184260|17.623770|8.709502|5.722467|7.987325|0.152808|4.160660|3.352489|6.029727|3.757574|2.335855|2.061716|1.816052|1.768438|1.934544|2.241588|1.825248|2.355517|0.062740|0.067101|0.087920|0.099746|0.072076|0.114204|0.090053|0.078292|0.085794|0.121172|0.187759|0.183662|0.500000| |2.399112|2.523697|2.897122|3.201683|2.954339|2.561203|3.694660|3.459198|2.824214|2.559120|2.688340|3.218928|3.799561|6.872540|5.633804|7.896600|8.789832|0.228468|17.595062|8.792056|6.666668|8.437074|0.140990|4.612948|3.534045|6.055806|4.022239|2.452703|2.199930|1.911409|1.822996|1.961613|2.277781|1.813463|2.311734|0.059948|0.064567|0.080846|0.083540|0.066054|0.092639|0.072155|0.062682|0.067193|0.089404|0.126208|0.154870|0.302545|0.500000| |2.029644|2.163579|2.526487|2.795188|2.520279|2.158992|3.475730|3.520336|3.081905|2.873531|2.983556|3.378263|3.730539|5.802263|5.484653|9.680583|6.542993|0.136086|8.767838|17.573763|8.868300|9.506953|0.202974|4.572502|4.076921|8.083717|4.331824|2.726740|2.341691|2.063187|2.041399|2.284473|2.682711|2.168073|2.794545|0.050840|0.055910|0.072713|0.072179|0.055741|0.093687|0.079014|0.071369|0.075338|0.091520|0.109455|0.110339|0.219505|0.174229|0.500000| |1.906892|2.004952|2.278654|2.485457|2.303162|2.021200|2.919027|2.904260|2.531905|2.388709|2.523007|2.892349|3.156605|4.892293|4.267869|7.006404|5.641851|0.131672|8.699108|17.619005|8.790844|7.818805|0.143372|4.157709|3.615689|6.725680|4.024797|2.538199|2.252692|1.983013|1.924478|2.096125|2.422451|1.961541|2.513813|0.048339|0.052153|0.064719|0.065872|0.052830|0.077083|0.065170|0.059821|0.064871|0.081318|0.096482|0.099608|0.193926|0.220068|0.302118|0.500000| |1.848607|2.009115|2.303246|2.402787|2.139774|1.897345|2.834621|2.680890|2.420277|2.225332|2.226168|2.423943|2.681920|4.679043|4.429539|8.081837|5.717166|0.133368|5.656881|8.628326|17.692691|12.274530|0.230503|6.654217|6.610141|13.503279|6.441478|3.880102|3.218302|2.722465|2.641238|2.977735|3.663456|2.694733|3.348306|0.046936|0.053403|0.068265|0.059256|0.048808|0.079565|0.065040|0.056998|0.057021|0.065231|0.078089|0.090529|0.126076|0.135740|0.215640|0.196125|0.500000| |1.966588|2.128021|2.415504|2.508241|2.253019|2.014117|2.875814|2.652222|2.325492|2.120912|2.145556|2.393846|2.699941|4.949457|4.511646|7.389826|6.776266|0.174559|6.918654|8.781091|17.598756|12.340732|0.181220|7.133434|5.596567|9.328776|5.979148|3.472130|3.036874|2.537043|2.376493|2.573027|3.096768|2.295294|2.849240|0.050003|0.056508|0.070775|0.062034|0.051832|0.078310|0.062028|0.053804|0.054734|0.065161|0.081564|0.100937|0.139082|0.188646|0.173419|0.214990|0.298918|0.500000| |2.194627|2.468146|2.815368|2.762635|2.392821|2.168318|3.084925|2.656730|2.342724|2.071110|2.024254|2.215784|2.558315|5.308153|4.829602|7.976365|6.607916|0.204035|4.888827|4.803438|7.044735|12.350148|0.182503|17.611517|8.702025|10.793735|9.649176|4.675614|3.981677|3.098510|2.792567|3.009416|3.795118|2.567227|3.105126|0.055692|0.067052|0.086039|0.063507|0.054700|0.086923|0.064496|0.052930|0.051152|0.058789|0.075985|0.106965|0.108606|0.131426|0.114364|0.114098|0.167881|0.221182|0.500000| |2.535574|2.964543|3.534522|3.380416|2.780626|2.475878|3.876521|3.153543|2.775411|2.370896|2.251687|2.438808|2.886088|6.709777|6.439757|11.095683|7.277865|0.213233|4.674706|4.324634|5.559966|12.416434|0.220339|17.600767|8.888159|11.367838|9.375618|4.623161|3.745853|2.983588|2.780293|3.093961|3.974882|2.688722|3.273664|0.063174|0.080463|0.114052|0.072284|0.061067|0.114418|0.078092|0.060408|0.056017|0.063022|0.083885|0.126817|0.110455|0.117386|0.111015|0.099195|0.137788|0.146505|0.300209|0.500000| |1.938486|2.203200|2.453011|2.320380|2.016546|1.870470|2.524033|2.200095|2.031675|1.811459|1.734826|1.835353|2.065550|3.966334|3.422767|6.217054|3.829694|0.110843|3.089123|3.160480|4.134859|6.613493|0.125135|7.635686|9.481619|10.850432|26.026363|9.258435|7.463161|4.865020|4.066140|4.310074|5.805270|3.347247|3.848398|0.049993|0.061807|0.076668|0.053065|0.047368|0.074106|0.057588|0.047426|0.044362|0.048404|0.059304|0.077849|0.074886|0.082138|0.082106|0.078486|0.116422|0.118236|0.215629|0.197928|0.500000| |1.582648|1.760102|1.900971|1.807225|1.616445|1.526941|1.925975|1.734866|1.636521|1.494167|1.440105|1.505145|1.650975|2.915373|2.414924|4.403079|2.639489|0.075405|2.306386|2.414498|2.985380|4.291918|0.083778|4.030967|4.911681|7.261688|9.948397|8.900461|17.702645|8.937650|5.652177|4.974091|5.639165|3.611198|4.044688|0.041557|0.049809|0.058024|0.042920|0.039295|0.056081|0.046387|0.039672|0.037410|0.040132|0.047089|0.057897|0.057400|0.062553|0.063713|0.062679|0.087190|0.086519|0.117406|0.105156|0.224185|0.500000| 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