Version2.0 2020-03-06T06:43:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cnc5c(c4Cl)c(nn5C)C C39667672 RHF 6-31G(d) (6D,7F) Cc1cccc(c1C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cnc5c(c4Cl)c(nn5C)C C01[X(C27H34Cl1N6O2)] 204 C1 612 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)NCc1cccc(c1C)C O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)NCc1cccc(c1C)C Cn1nc(C)c2c(Cl)c(cnc12)C(=O)N3C[C@@H](C(=O)NCc4cccc(C)c4C)C5(CC[NH2+]CC5)C3 InChIKey=DHMNUEWXRPBXRW-NRFANRHFSA-O InChI=1S/C27H33ClN6O2/c1-16-6-5-7-19(17(16)2)12-31-25(35)21-14-34(15-27(21)8-10-29-11-9-27)26(36)20-13-30-24-22(23(20)28)18(3)32-33(24)4/h5-7,13,21,29H,8-12,14-15H2,1-4H3,(H,31,35)/p+1/t21-/m0/s1 InChI=1/C27H33ClN6O2/c1-16-6-5-7-19(17(16)2)12-31-25(35)21-14-34(15-27(21)8-10-29-11-9-27)26(36)20-13-30-24-22(23(20)28)18(3)32-33(24)4/h5-7,13,21,29H,8-12,14-15H2,1-4H3,(H,31,35)/p+1/t21-/m0/s1/fC27H34ClN6O2/h29,31H/q+1 Cc1cccc(c1C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cnc5c(c4Cl)c(nn5C)C C01[X(C27H34Cl1N6O2)] 204 C01 612 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)NCc1cccc(c1C)C O=C([C@@H]1CN(CC21CC[NH2]CC2)C(=O)c1cnc2c(c1Cl)c(C)nn2C)NCc1cccc(c1C)C Cn1nc(C)c2c(Cl)c(cnc12)C(=O)N3C[C@@H](C(=O)NCc4cccc(C)c4C)C5(CC[NH2]CC5)C3 InChIKey=FJXOTTCDEVKDDH-NRFANRHFSA-N InChI=1S/C27H34ClN6O2/c1-16-6-5-7-19(17(16)2)12-31-25(35)21-14-34(15-27(21)8-10-29-11-9-27)26(36)20-13-30-24-22(23(20)28)18(3)32-33(24)4/h5-7,13,21H,8-12,14-15,29H2,1-4H3,(H,31,35)/t21-/m0/s1 InChI=1/C27H34ClN6O2/c1-16-6-5-7-19(17(16)2)12-31-25(35)21-14-34(15-27(21)8-10-29-11-9-27)26(36)20-13-30-24-22(23(20)28)18(3)32-33(24)4/h5-7,13,21H,8-12,14-15,29H2,1-4H3,(H,31,35)/t21-/m0/s1/f/h31H 4068.4140101690 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9983.0026 40116.3879 44942.1596 0.99995 -0.00896 -0.00432 0.00898 0.99994 0.00579 0.00426 -0.00582 0.99997 1 0.00868 0.00216 0.00193 0.18078 0.04499 0.04016 12.47 25.08 28.60 39.30 44.61 54.00 78.64 84.10 96.87 105.38 117.91 137.19 146.81 172.11 189.71 215.35 228.56 243.40 245.91 268.32 270.95 273.54 285.77 312.15 347.46 352.19 369.34 387.77 393.55 407.71 430.89 440.02 457.19 476.79 485.94 538.87 544.47 549.36 563.65 587.48 598.03 660.56 692.29 709.21 714.46 732.33 757.29 770.13 797.02 809.25 841.74 843.61 874.94 900.44 910.02 920.18 961.72 985.02 1017.84 1040.81 1050.13 1053.95 1094.92 1151.64 1163.82 1208.75 1227.16 1246.04 1250.88 1260.90 1272.35 1282.41 1290.71 1343.20 1356.26 1366.78 1373.09 1395.11 1433.84 1485.21 1514.44 1517.15 1523.34 1549.63 1563.65 1572.97 1579.42 1594.46 1599.46 1602.31 1611.28 1624.30 1630.31 1637.05 1650.44 1674.52 1685.24 1692.25 1698.32 1709.83 1734.05 1744.38 1786.22 1796.06 1799.02 1816.82 1833.05 1858.25 1866.61 1897.74 1900.23 1901.76 1911.45 1942.60 1952.86 1969.21 1970.75 1974.63 1984.12 2024.90 2033.51 2061.88 2083.21 2089.59 2091.93 2107.79 2114.50 2154.70 2169.09 2177.18 2194.67 2209.10 2227.96 2233.62 2242.98 2244.12 2251.13 2258.22 2259.18 2268.88 2276.33 2296.67 2316.48 2319.68 2339.15 2342.12 2346.15 2347.41 2348.55 2360.27 2368.88 2369.70 2371.09 2372.74 2373.33 2379.00 2391.40 2412.99 2420.33 2422.15 2427.08 2453.20 2506.53 2551.21 2572.74 2591.75 2598.35 2626.30 2728.50 2801.03 4591.74 4600.20 4611.76 4622.20 4631.39 4666.43 4669.55 4671.66 4683.91 4688.97 4691.01 4699.64 4710.31 4713.43 4721.67 4737.13 4744.37 4749.75 4752.96 4757.94 4774.71 4775.86 4777.22 4778.95 4796.24 4809.60 4829.50 4831.51 4845.55 4868.52 4875.40 5262.17 5364.16 5583.15 0.636753 0.669222 0.670166 0.568363 -1977.335386 -1977.302917 -1977.301973 -1977.403776 3.414489D-04 MUNgauss RevisionA2.0 retrievium 06-Mar-2020 DUDE Cc1cccc(c1C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cnc5c(c4Cl)c(nn5C)C C39667672 RHF 6-31G(d) (6D,10F) C1 509.243177 |X|Y|Z| 142.555958 40.439239 65.119869 72.138530 29 6 7 23 6 |36.858105| |12.595070|36.858105| |7.604061|13.732480|36.858105| |5.026991|7.892233|13.771309|36.858105| |4.441054|6.859104|7.989940|13.810050|36.858105| |4.996976|7.886607|6.880881|7.908281|13.692027|36.858105| |7.508147|13.584969|7.903480|6.813894|7.886413|13.623021|36.858105| |6.548873|7.586914|5.028460|4.419013|4.985826|7.469127|12.569683|36.858105| |3.742711|4.979474|4.449127|5.050873|7.659110|12.578805|7.462831|6.319461|36.858105| |3.412893|4.280736|3.816494|4.176862|5.661114|7.781086|5.960802|5.674984|13.002300|53.358707| |2.803697|3.319582|3.012810|3.255273|4.141213|5.124442|4.294980|4.409520|7.762396|19.426956|36.858105| |2.547238|2.973111|2.723028|2.948228|3.712125|4.477365|3.777509|3.926934|6.844783|11.601903|15.733302|73.516695| |2.522843|2.881784|2.647991|2.808758|3.374429|3.929447|3.515187|3.647055|4.991003|10.682747|12.470645|14.150265|36.858105| |2.398778|2.764791|2.617019|2.836414|3.399595|3.767833|3.287610|3.253197|4.630661|9.349249|9.073522|11.529404|17.493919|0.500000| |2.719348|3.022537|2.716785|2.777659|3.211903|3.772753|3.619842|3.884715|4.346675|8.786645|7.321147|9.336458|12.396740|0.247657|36.858105| |2.292152|2.473266|2.261586|2.300754|2.587131|2.928555|2.847028|3.059126|3.298555|5.979373|5.108028|7.438442|8.123033|0.190509|13.071598|53.358707| |2.026726|2.201401|2.046073|2.117262|2.399064|2.670656|2.529685|2.678357|3.094098|5.451855|5.007726|7.812110|8.049317|0.199700|7.875313|17.857040|36.858105| |2.145750|2.376656|2.195573|2.301550|2.685302|3.054109|2.815005|2.993073|3.765778|6.830984|7.297195|11.749799|12.307953|0.248182|7.836651|11.061290|12.354032|36.858105| |1.917891|2.135839|2.018694|2.154960|2.516051|2.768295|2.492305|2.571672|3.423802|5.772897|5.917289|11.000235|7.483144|0.201391|5.015108|6.980181|7.404987|12.376306|36.858105| |1.697546|1.854749|1.754392|1.851150|2.116476|2.309244|2.126837|2.221366|2.771140|4.413884|4.181349|8.069785|4.858392|0.128738|3.821272|5.643450|5.844499|7.421253|12.511441|36.858105| |1.723220|1.864870|1.739731|1.813752|2.069936|2.299818|2.152220|2.306577|2.772135|4.319890|4.068470|8.205789|4.416192|0.109573|3.627672|5.242817|4.977755|6.482255|7.732913|12.667607|53.358707| |1.588708|1.704195|1.596494|1.658141|1.871081|2.058475|1.942386|2.078072|2.432860|3.704409|3.352259|6.670591|3.588832|0.091250|3.077100|4.493817|4.135260|4.895647|5.692097|9.157328|25.693685|0.500000| |1.779776|1.940469|1.808699|1.895525|2.184480|2.439753|2.259970|2.419455|3.001683|4.582657|4.363069|9.432984|4.393017|0.108448|3.512378|4.816519|4.340297|5.940617|7.189161|9.210855|25.641182|0.327297|0.500000| |1.851956|1.982298|1.818336|1.866228|2.119445|2.401535|2.300269|2.537286|2.867136|4.578255|4.290111|8.181484|4.852098|0.113109|4.265065|6.383047|5.901051|7.413289|6.483267|7.640998|17.221621|0.254232|0.255637|36.858105| |2.154348|2.341263|2.119354|2.178655|2.520110|2.933490|2.790564|3.114522|3.610941|6.158557|6.234795|11.269836|7.450500|0.152728|6.200487|8.595977|7.524023|12.304261|7.498522|6.469778|10.499859|0.157910|0.199122|12.513028|36.858105| |2.217369|2.334562|2.141560|2.142687|2.342697|2.608179|2.605351|2.795287|2.807824|4.834050|3.842421|5.784826|5.252003|0.134445|7.853367|19.049039|7.559632|5.178920|3.812926|3.310196|4.251806|0.077380|0.079912|3.737525|4.531842|36.858105| |2.427842|2.525398|2.300731|2.264899|2.438583|2.715582|2.777703|2.977528|2.825658|4.805810|3.606904|5.374698|4.607319|0.119556|7.080436|11.636920|5.314401|4.195062|3.221050|2.798589|3.650886|0.067109|0.070220|3.147452|3.804337|15.912936|73.516695| |1.893718|1.971668|1.833781|1.838501|1.987018|2.169975|2.161817|2.302330|2.327125|3.842664|3.077959|4.862556|3.999627|0.106211|5.007614|10.530978|6.419228|4.316896|3.448508|3.194949|4.071926|0.076216|0.074841|3.527535|3.890149|12.655519|14.394688|36.858105| |1.766550|1.839702|1.739995|1.752470|1.872481|2.001553|1.982630|2.063198|2.113209|3.429704|2.690896|4.275235|3.401661|0.095031|4.053317|7.472351|4.935755|3.548462|3.028369|2.817063|3.507883|0.066582|0.065179|2.890782|3.123886|7.667659|11.269031|13.458989|36.858105| |1.580281|1.635233|1.557022|1.568181|1.663609|1.762394|1.746349|1.812244|1.854023|2.941511|2.303841|3.742819|2.815302|0.078945|3.199166|5.565973|3.944569|2.990441|2.664173|2.567128|3.209245|0.062157|0.059510|2.596893|2.699405|5.115628|7.979205|7.888749|14.641577|53.358707| |1.504774|1.547863|1.465594|1.471175|1.563105|1.666306|1.658072|1.741236|1.763974|2.773723|2.193551|3.622707|2.643840|0.072577|2.959584|5.150239|3.764166|2.899992|2.594592|2.585126|3.298039|0.064800|0.060522|2.700449|2.714935|4.560263|7.007857|7.101609|8.589826|19.499744|36.858105| |1.563279|1.604108|1.502224|1.502295|1.606525|1.735550|1.735352|1.853123|1.855534|2.929048|2.346623|3.897987|2.835765|0.075603|3.197795|5.715945|4.192945|3.207212|2.795358|2.828851|3.709736|0.072941|0.067233|3.154942|3.117314|5.002950|7.397038|7.992906|7.029982|10.633957|13.587355|36.858105| |1.755417|1.809939|1.677354|1.675142|1.807369|1.979921|1.983402|2.141868|2.134891|3.446503|2.789690|4.552502|3.482415|0.090485|4.112884|7.988576|5.521409|3.971467|3.252018|3.189039|4.208628|0.080496|0.076088|3.742200|3.861946|7.437194|9.930429|13.843111|7.969813|9.207076|8.022987|13.699737|36.858105| |1.829293|1.874975|1.710074|1.696443|1.842888|2.058153|2.082589|2.317019|2.248492|3.605121|2.959320|4.925522|3.578843|0.088399|4.171623|7.584617|5.275748|4.215899|3.349054|3.357070|4.772154|0.091251|0.085982|4.625202|4.645963|6.029234|8.595788|7.002552|4.742447|5.689886|4.768593|7.011275|10.939863|448.794386| |1.420548|1.448910|1.360253|1.358335|1.446088|1.556047|1.558931|1.666232|1.660051|2.570031|2.052155|3.475241|2.402583|0.064062|2.628583|4.446098|3.342304|2.723207|2.453875|2.561403|3.428409|0.069181|0.062294|2.867821|2.726389|3.672459|5.697556|5.001621|4.662776|7.319940|8.498577|13.230827|7.176508|44.967042|36.858105| |1.326043|1.352335|1.280263|1.281176|1.356004|1.444248|1.442928|1.525027|1.529681|2.349712|1.859202|3.151163|2.157516|0.058533|2.335560|3.859312|2.906325|2.401682|2.215418|2.304240|3.034584|0.061498|0.055690|2.460771|2.357329|3.178945|5.057094|4.217131|4.333220|7.417083|8.620954|8.559538|5.278597|33.028824|14.776620|53.358707| |1.364205|1.397054|1.329082|1.333739|1.409524|1.493152|1.486552|1.556790|1.574821|2.435407|1.917223|3.212067|2.252401|0.062015|2.459201|4.098383|3.054202|2.468533|2.273332|2.313302|2.976641|0.059523|0.054873|2.392042|2.350449|3.460811|5.512550|4.757769|5.445613|10.877385|14.248356|8.657324|5.458389|31.138554|8.880825|19.260850|53.358707| |1.270836|1.300612|1.248016|1.254618|1.316990|1.380673|1.371815|1.421810|1.444739|2.211657|1.723389|2.894463|1.995687|0.055701|2.152614|3.473827|2.585428|2.146711|2.017382|2.043637|2.612338|0.052418|0.048714|2.053574|2.027922|2.885212|4.736091|3.704944|4.406250|8.534141|7.590041|5.260322|3.933189|24.129120|5.429314|10.703184|17.929775|36.858105| |1.381618|1.402314|1.310242|1.304310|1.389598|1.502870|1.512033|1.632258|1.608792|2.462888|1.971631|3.390245|2.258093|0.059362|2.435739|4.002256|3.028112|2.581875|2.340641|2.496029|3.465438|0.071205|0.063015|2.930628|2.696741|3.179594|5.010984|3.968505|3.549699|5.200485|5.125084|7.158449|5.498868|44.204823|12.718557|10.681588|7.254193|3.937948|36.858105| |17.542533|8.803503|5.901932|4.295540|3.962049|4.552964|6.641543|6.593840|3.579892|4.683926|2.853608|4.540572|2.630742|0.068962|2.931484|3.362167|2.141370|2.235145|1.965293|1.738900|2.403015|0.045155|0.050254|1.921939|2.248156|2.424238|4.810042|2.050173|1.903482|2.303270|1.608329|1.674286|1.891914|15.826243|1.513117|1.916410|1.974425|1.346163|1.467598|0.500000| |17.546773|8.808018|5.893975|4.295368|3.967098|4.565110|6.664792|6.637971|3.587980|4.372046|2.695590|4.447934|2.401528|0.062781|2.557932|2.965760|1.946796|2.078171|1.864637|1.666675|2.330563|0.044005|0.049357|1.842199|2.126383|2.097756|4.033390|1.807838|1.676091|2.052331|1.448727|1.515062|1.697307|14.394351|1.386641|1.757540|1.795540|1.226684|1.360298|0.302608|0.500000| |17.597347|8.863987|7.367974|4.801065|3.996474|4.173490|5.555979|4.786047|3.201904|4.005438|2.464833|4.012948|2.252762|0.060355|2.414748|2.823569|1.849425|1.938214|1.753566|1.562848|2.147110|0.040634|0.045119|1.682371|1.931179|2.027720|3.945985|1.755521|1.657925|2.033831|1.420241|1.464495|1.628516|13.485141|1.336498|1.709340|1.762124|1.214386|1.297548|0.302346|0.302364|0.500000| |7.097557|8.940586|17.714339|8.944618|5.673598|4.955856|5.631923|4.105027|3.556096|4.297301|2.585533|4.198697|2.329357|0.064267|2.409237|2.792086|1.861227|1.969389|1.821293|1.601889|2.160966|0.040757|0.045631|1.657437|1.905492|1.972052|3.780577|1.710173|1.636974|2.008564|1.389344|1.417274|1.569564|12.779854|1.289366|1.659847|1.723956|1.195860|1.241946|0.154005|0.153589|0.229346|0.500000| |4.103338|5.626354|8.911614|17.723655|8.923241|5.630211|4.921733|3.537159|4.121610|4.810353|2.870589|4.686788|2.532243|0.072180|2.487048|2.864982|1.959744|2.110819|2.008675|1.739064|2.302491|0.043210|0.048980|1.724015|1.984640|1.974435|3.693730|1.717615|1.656025|2.032214|1.398222|1.417857|1.566941|12.629562|1.286888|1.662236|1.734196|1.206502|1.233433|0.099617|0.099593|0.114338|0.215491|0.500000| |3.550517|4.943865|5.669419|8.948414|17.705302|8.913253|5.623407|4.066029|7.173578|7.424751|4.181124|6.803758|3.395981|0.097658|3.106404|3.451241|2.406372|2.718280|2.619443|2.189460|2.876743|0.053033|0.062227|2.123646|2.505840|2.274220|4.142195|1.948410|1.847537|2.243143|1.546907|1.583698|1.772965|14.420441|1.427649|1.827916|1.902908|1.309981|1.369523|0.090199|0.090338|0.090908|0.124607|0.215423|0.500000| |6.620488|6.741399|4.609325|3.971276|4.293556|5.858970|8.832663|17.548098|5.093613|6.032243|3.673634|6.104298|3.087206|0.077218|3.236367|3.620788|2.375531|2.640735|2.314823|2.044504|2.923979|0.054388|0.062828|2.350395|2.801383|2.462502|4.628738|2.078614|1.871885|2.266315|1.613338|1.719568|1.964693|17.197193|1.565037|1.953953|1.981713|1.334013|1.547334|0.174961|0.217414|0.135073|0.108607|0.090458|0.099394|0.500000| |6.738993|6.798577|4.624839|3.967031|4.272363|5.809586|8.826778|17.546206|5.037044|6.890734|4.079822|6.312451|3.606473|0.089216|4.098984|4.411753|2.748164|2.974139|2.505014|2.174064|3.060236|0.056427|0.064468|2.515199|3.087138|3.039678|5.926415|2.469976|2.202890|2.615457|1.841027|1.961680|2.283238|19.793116|1.752576|2.177695|2.228244|1.490514|1.709862|0.220204|0.179906|0.136596|0.109109|0.090358|0.098787|0.303251|0.500000| |4.782569|5.558687|4.158082|3.929833|4.682497|7.101802|8.762689|17.638761|7.465393|9.443990|5.471835|8.683419|4.274275|0.101936|4.420765|4.628784|3.001765|3.477757|2.936949|2.508847|3.592940|0.065214|0.077694|2.932471|3.710174|3.003907|5.548211|2.454175|2.165004|2.576979|1.828506|1.965286|2.294331|20.264608|1.762350|2.179219|2.216252|1.476418|1.732643|0.135013|0.135133|0.104807|0.095843|0.089598|0.111433|0.302894|0.303233|0.500000| |3.220772|4.191922|4.026738|4.846465|7.447898|8.906253|5.580544|4.703292|17.605716|12.436823|6.876566|11.894936|4.587782|0.124546|3.816224|4.104292|2.929193|3.581034|3.445344|2.786777|3.732135|0.067114|0.083281|2.740066|3.354037|2.571813|4.541024|2.176943|2.002865|2.413804|1.686593|1.761817|2.003584|16.759943|1.584955|2.000590|2.062025|1.398224|1.534678|0.084768|0.086058|0.079101|0.091523|0.115237|0.231800|0.112649|0.109137|0.147027|0.500000| |3.637839|4.587628|3.953439|4.242647|5.775736|8.789104|6.794886|6.761712|17.638626|12.483356|7.056382|12.595992|4.585045|0.113453|4.034296|4.286195|2.983419|3.680344|3.339304|2.775431|3.911103|0.070192|0.087847|2.995731|3.750926|2.685840|4.768474|2.250855|2.022253|2.430989|1.720410|1.829315|2.103530|18.202806|1.650190|2.059166|2.099980|1.410061|1.617983|0.096552|0.101013|0.085706|0.090036|0.098162|0.149433|0.159400|0.142596|0.246749|0.304881|0.500000| |3.631635|4.581425|4.098523|4.430888|5.790435|7.571825|6.166973|5.630240|9.012905|26.059412|9.406076|10.864879|7.466584|0.193486|7.201234|6.356503|4.030637|4.687671|3.885585|3.005881|3.939444|0.069733|0.083233|3.104329|4.107761|3.865899|7.061846|2.993069|2.694696|3.105793|2.120689|2.217640|2.620283|21.509606|1.925744|2.404577|2.516224|1.682163|1.824835|0.103923|0.091993|0.087112|0.094009|0.103565|0.149739|0.119458|0.148870|0.175553|0.191929|0.184656|0.500000| |2.982288|3.262648|2.832085|2.822989|3.247746|3.967864|3.989359|4.586528|4.526789|8.832567|6.920200|9.187868|8.689947|0.174772|17.575367|12.350202|6.073216|6.431347|4.315335|3.469671|4.741894|0.082866|0.095134|4.236737|6.219374|6.713805|11.715942|4.493146|3.597983|3.964384|2.759773|3.040190|3.900054|34.065156|2.545704|3.054679|3.162963|2.031636|2.411170|0.090609|0.078692|0.072198|0.069469|0.069203|0.085053|0.104460|0.138275|0.149228|0.105977|0.121385|0.194577|0.500000| |2.885867|3.238608|2.946079|3.014078|3.442601|3.953769|3.798928|3.895606|4.299730|8.527096|6.163816|7.966000|8.673869|0.224029|17.621562|12.367271|6.014993|5.699429|4.186131|3.263273|4.153663|0.073584|0.082742|3.445901|4.602839|7.253834|13.474324|4.689553|4.053430|4.327556|2.857366|2.985744|3.728229|28.863155|2.459077|3.030530|3.241156|2.118825|2.251854|0.087108|0.073676|0.071591|0.072552|0.074959|0.091729|0.089123|0.116208|0.117488|0.105102|0.106545|0.220439|0.303267|0.500000| |1.870689|2.000414|1.857761|1.905758|2.132112|2.363456|2.272292|2.433580|2.702309|4.561405|4.076693|6.699006|5.711220|0.142780|5.794529|12.349352|17.641020|8.638533|6.246958|5.899372|7.151016|0.125139|0.120972|6.592696|7.111088|6.786047|8.516704|6.864510|5.045188|5.702603|4.230108|5.003182|6.739918|52.979425|3.952173|4.522983|4.646770|2.803363|3.588034|0.054935|0.050335|0.047635|0.047344|0.049231|0.059226|0.061011|0.069576|0.075303|0.071304|0.073802|0.092785|0.138972|0.129467|0.500000| |1.921459|2.097978|1.984668|2.076086|2.341232|2.542742|2.377844|2.451114|2.908516|5.042058|4.489573|7.046682|6.880873|0.203302|6.395414|12.292948|17.509203|8.762954|7.135805|5.591416|5.976478|0.104295|0.107738|4.707816|5.504175|6.493783|8.563344|5.977811|5.164842|5.664849|3.820290|4.008436|4.937002|34.730168|3.207149|3.919200|4.230798|2.681250|2.837913|0.056070|0.050957|0.049178|0.050388|0.053976|0.066081|0.060596|0.069530|0.075004|0.078150|0.076514|0.105072|0.135889|0.153466|0.302588|0.500000| |1.853914|2.070217|1.985959|2.137606|2.478376|2.660625|2.380583|2.402617|3.208454|5.383018|5.169761|9.049123|6.711454|0.212455|4.723490|6.686071|7.010825|8.782199|17.564116|8.988527|7.646071|0.127064|0.145241|4.886787|5.476905|3.767680|5.678466|3.460485|3.153795|3.783063|2.651385|2.776334|3.175984|24.926005|2.420404|3.024003|3.158335|2.082355|2.262693|0.052741|0.049650|0.047467|0.050002|0.055917|0.072445|0.059986|0.065396|0.074678|0.091004|0.084632|0.104103|0.109231|0.115461|0.160218|0.223733|0.500000| |1.982852|2.237523|2.120193|2.291163|2.724735|3.005747|2.643199|2.700684|3.860659|6.355707|6.762592|14.301520|7.073335|0.189821|4.590013|5.886523|5.485792|8.865945|17.603971|8.927067|9.462938|0.145642|0.211063|5.627305|6.637538|3.316577|5.173461|2.959126|2.634454|3.180736|2.273097|2.433178|2.797355|23.473606|2.168631|2.686094|2.746103|1.812462|2.092831|0.055810|0.053759|0.050218|0.052750|0.059182|0.079868|0.067634|0.071511|0.086549|0.111022|0.105200|0.113511|0.113679|0.108950|0.131281|0.146358|0.303649|0.500000| |1.620879|1.753297|1.660070|1.738537|1.961368|2.127909|1.986911|2.079430|2.491478|3.973988|3.634813|6.696125|4.389158|0.117870|3.693311|5.807699|6.260492|6.594863|8.703423|17.615941|12.445066|0.221989|0.181076|7.078908|5.747247|3.494779|5.143360|3.530700|3.112353|3.904844|2.930333|3.228711|3.597179|29.656336|2.917242|3.553101|3.559498|2.281600|2.813461|0.046419|0.044096|0.041629|0.042386|0.045524|0.055988|0.053257|0.057307|0.064464|0.068908|0.068915|0.077074|0.092554|0.088354|0.193328|0.170765|0.212619|0.173040|0.500000| |1.595683|1.746500|1.668983|1.773016|2.021608|2.172581|1.986891|2.048365|2.591584|4.005242|3.683149|7.254063|4.051042|0.111464|3.228592|4.639852|4.493847|5.435429|8.780568|17.626734|12.351524|0.224199|0.221607|5.592442|4.860199|2.819818|4.342002|2.745961|2.493235|3.147155|2.322126|2.493226|2.735523|22.764961|2.299427|2.867475|2.880426|1.902445|2.248695|0.045069|0.043587|0.041046|0.042480|0.046644|0.058698|0.052796|0.055286|0.063669|0.073881|0.072002|0.075651|0.082169|0.079066|0.124609|0.125343|0.211935|0.216982|0.301111|0.500000| |1.749579|1.856371|1.711874|1.749878|1.962652|2.196588|2.121571|2.323830|2.557457|4.086505|3.700252|6.753167|4.377801|0.105610|4.072625|6.587951|6.310625|6.573388|5.743849|7.069482|12.441852|0.222220|0.181063|17.634234|8.697105|3.989011|5.811733|3.977654|3.206306|3.956295|3.094613|3.723712|4.423503|44.660971|3.381325|3.862282|3.710362|2.293818|3.465165|0.050738|0.048123|0.044440|0.043663|0.045161|0.054554|0.059867|0.064961|0.073153|0.067972|0.073044|0.079088|0.110233|0.092798|0.225617|0.139817|0.129461|0.131735|0.216864|0.145095|0.500000| |1.827256|1.935647|1.764668|1.796005|2.026777|2.306582|2.239964|2.509692|2.728355|4.218313|3.812136|7.398734|4.046632|0.095200|3.695194|5.348525|4.536066|5.432257|4.871557|5.595104|12.353851|0.224173|0.221801|17.627104|8.794870|3.282737|5.072800|3.113213|2.579048|3.195737|2.464533|2.887746|3.360108|34.552598|2.696022|3.150869|3.019449|1.915058|2.840028|0.052584|0.051029|0.046064|0.044810|0.046031|0.056030|0.065664|0.068899|0.080614|0.072057|0.080933|0.079163|0.106258|0.084863|0.138667|0.104116|0.107594|0.126454|0.145181|0.126490|0.301448|0.500000| |2.278848|2.503434|2.248759|2.320496|2.727241|3.240269|3.049221|3.442507|4.157308|6.923000|7.268388|14.882132|7.016255|0.144311|5.548890|6.864361|5.530827|8.798071|6.605906|5.600035|9.428371|0.145391|0.209814|8.951907|17.631239|3.809910|5.987356|3.254090|2.702542|3.215995|2.361243|2.660260|3.201991|30.378166|2.371142|2.834956|2.826564|1.821021|2.365716|0.065328|0.063043|0.056295|0.055669|0.058261|0.075281|0.086232|0.091984|0.117826|0.106541|0.124877|0.121311|0.162547|0.119192|0.141768|0.123203|0.136166|0.189146|0.131512|0.125761|0.173324|0.218579|0.500000| |2.256762|2.412096|2.152295|2.173153|2.479735|2.914492|2.862826|3.289000|3.469217|5.919045|5.516775|9.271920|6.660862|0.137324|6.801676|9.766747|7.219686|8.758412|5.485574|4.892633|7.647560|0.127178|0.144953|9.017537|17.590341|5.250190|7.814961|4.356416|3.352175|3.886051|2.889062|3.395402|4.377861|45.632045|2.928152|3.386897|3.363197|2.106438|2.905566|0.066435|0.061885|0.055912|0.053915|0.054707|0.067266|0.081914|0.093172|0.108406|0.087163|0.100233|0.113651|0.208871|0.136726|0.197007|0.142901|0.123283|0.136654|0.130043|0.107612|0.213824|0.212141|0.303316|0.500000| |1.839344|1.927659|1.837348|1.857166|1.977431|2.094493|2.065631|2.116285|2.188670|3.567671|2.749944|4.305433|3.475601|0.099908|4.174060|7.266735|4.650197|3.452573|2.970498|2.688449|3.314019|0.062511|0.062461|2.683808|2.965404|7.255355|11.784031|8.886887|17.713574|12.812217|5.970909|5.033128|5.676531|31.460593|3.695897|4.804342|5.905475|3.807538|2.957883|0.055088|0.048018|0.048107|0.048044|0.048880|0.054238|0.052967|0.062855|0.061187|0.057701|0.057404|0.079256|0.100759|0.122249|0.123596|0.140175|0.087473|0.072682|0.080844|0.066788|0.080589|0.066613|0.072554|0.087352|0.500000| |1.235198|1.255508|1.203933|1.204169|1.257137|1.317332|1.317049|1.367615|1.369557|2.081906|1.609701|2.707161|1.842047|0.051153|1.996819|3.172282|2.323419|1.962005|1.837610|1.857410|2.405194|0.048358|0.045168|1.897001|1.877378|2.643039|4.432504|3.304606|3.823108|6.944131|6.003116|4.581395|3.525047|22.437027|4.917386|9.485540|12.465883|17.616830|3.755989|0.036396|0.033167|0.032877|0.032168|0.032185|0.034615|0.035798|0.039932|0.039261|0.036742|0.037223|0.044011|0.052959|0.054800|0.069493|0.066076|0.052313|0.046303|0.056947|0.048179|0.058373|0.049682|0.047213|0.054479|0.093694|0.500000| |1.303643|1.338623|1.289924|1.299801|1.362334|1.421541|1.408526|1.449456|1.482151|2.276632|1.765405|2.943271|2.055058|0.058001|2.224452|3.580290|2.642986|2.180769|2.049538|2.043901|2.581706|0.051379|0.048352|2.019080|2.024839|2.998293|4.960279|3.823874|4.855147|9.840231|7.267728|4.817579|3.825935|23.120662|4.538042|7.873361|12.608125|17.662684|3.385528|0.038375|0.034781|0.034665|0.034353|0.034793|0.037689|0.037619|0.042248|0.041689|0.039892|0.039917|0.048420|0.057733|0.061607|0.078058|0.077459|0.059436|0.051161|0.063049|0.052918|0.062089|0.051967|0.050614|0.058248|0.120041|0.299583|0.500000| |1.206012|1.237915|1.191385|1.202480|1.264471|1.321979|1.307150|1.351484|1.388873|2.115652|1.656163|2.805323|1.906233|0.053373|2.018638|3.230289|2.458708|2.068640|1.979681|2.034234|2.590318|0.052433|0.048217|2.007668|1.955444|2.610454|4.258322|3.269866|3.765306|6.827190|5.930483|4.544138|3.493519|22.259272|4.905855|9.553150|12.483830|17.620128|3.752002|0.035306|0.032418|0.032037|0.031707|0.032199|0.035086|0.035319|0.039107|0.039068|0.037543|0.037719|0.044419|0.052873|0.054921|0.074317|0.071267|0.056910|0.049448|0.063407|0.053085|0.062360|0.052044|0.048914|0.055781|0.092160|0.299823|0.299354|0.500000| |1.432096|1.442469|1.339339|1.324095|1.406883|1.529668|1.553523|1.692705|1.629486|2.488692|1.977289|3.389227|2.245879|0.058455|2.461866|3.999156|2.931071|2.531045|2.256046|2.369422|3.343060|0.068153|0.061480|2.878820|2.693679|3.215569|5.164845|3.904860|3.412008|4.846325|4.574176|6.338185|5.380756|47.396884|8.889238|8.252111|6.199908|3.485919|17.573939|0.042458|0.039266|0.037293|0.035291|0.034668|0.038285|0.044704|0.049579|0.049805|0.042882|0.045710|0.051305|0.068912|0.063214|0.094915|0.075088|0.060092|0.056564|0.072773|0.059158|0.092819|0.078809|0.066113|0.082335|0.079819|0.094943|0.085291|0.090367|0.500000| |1.282788|1.299308|1.219947|1.214962|1.288793|1.385088|1.392565|1.494761|1.475942|2.236697|1.779352|3.077170|2.011206|0.053340|2.144215|3.445495|2.614929|2.274447|2.104160|2.254025|3.120235|0.064787|0.057241|2.570970|2.361417|2.714410|4.358202|3.304302|3.079064|4.603361|4.418642|5.451420|4.263694|33.694985|9.015683|10.315056|6.762725|3.902820|17.617922|0.037713|0.035132|0.033623|0.032247|0.032047|0.035349|0.039568|0.043341|0.043854|0.039303|0.041232|0.045985|0.058924|0.055640|0.084170|0.069218|0.056871|0.052767|0.070116|0.057342|0.082834|0.069780|0.058457|0.069656|0.072899|0.106053|0.091187|0.106313|0.300623|0.500000| 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