Version2.0 2020-02-01T10:10:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN1C(=C([C@@H](NC1=O)c2ccc(cc2)C(C)C)C(=O)OCC)C[NH+]3CCCN(CC3)C(=O)C(C)C C35664158 RHF 6-31G(d) (6D,7F) CCN1C(=C([C@@H](NC1=O)c2ccc(cc2)C(C)C)C(=O)OCC)C[NH+]3CCCN(CC3)C(=O)C(C)C C01[X(C28H43N4O4)] 231 C1 626 CCOC(=O)C1=C(C[NH+]2CCCN(CC2)C(=O)C(C)C)N(CC)C(=O)N[C@H]1c1ccc(cc1)C(C)C CCOC(=O)C1=C(C[NH+]2CCCN(CC2)C(=O)C(C)C)N(CC)C(=O)N[C@H]1c1ccc(cc1)C(C)C CCOC(=O)C1=C(C[NH+]2CCCN(CC2)C(=O)C(C)C)N(CC)C(=O)N[C@H]1c3ccc(cc3)C(C)C InChIKey=IQJVYACCKWUVNF-VWLOTQADSA-O InChI=1S/C28H42N4O4/c1-7-32-23(18-30-14-9-15-31(17-16-30)26(33)20(5)6)24(27(34)36-8-2)25(29-28(32)35)22-12-10-21(11-13-22)19(3)4/h10-13,19-20,25H,7-9,14-18H2,1-6H3,(H,29,35)/p+1/t25-/m0/s1 InChI=1/C28H42N4O4/c1-7-32-23(18-30-14-9-15-31(17-16-30)26(33)20(5)6)24(27(34)36-8-2)25(29-28(32)35)22-12-10-21(11-13-22)19(3)4/h10-13,19-20,25H,7-9,14-18H2,1-6H3,(H,29,35)/p+1/t25-/m0/s1/fC28H43N4O4/h29-30H/q+1 CCN1C(=C([C@@H](NC1=O)c2ccc(cc2)C(C)C)C(=O)OCC)C[NH+]3CCCN(CC3)C(=O)C(C)C C01[X(C28H43N4O4)] 231 C01 626 CCOC(=O)C1=C(C[NH+]2CCCN(CC2)C(=O)C(C)C)N(CC)C(=O)N[C@H]1c1ccc(cc1)C(C)C CCOC(=O)C1=C(C[NH]2CCCN(CC2)C(=O)C(C)C)N(CC)C(=O)N[C@H]1c1ccc(cc1)C(C)C CCOC(=O)C1=C(C[NH]2CCCN(CC2)C(=O)C(C)C)N(CC)C(=O)N[C@H]1c3ccc(cc3)C(C)C InChIKey=OQDKUEWLBQUFJZ-VWLOTQADSA-N InChI=1S/C28H43N4O4/c1-7-32-23(18-30-14-9-15-31(17-16-30)26(33)20(5)6)24(27(34)36-8-2)25(29-28(32)35)22-12-10-21(11-13-22)19(3)4/h10-13,19-20,25,30H,7-9,14-18H2,1-6H3,(H,29,35)/t25-/m0/s1 InChI=1/C28H43N4O4/c1-7-32-23(18-30-14-9-15-31(17-16-30)26(33)20(5)6)24(27(34)36-8-2)25(29-28(32)35)22-12-10-21(11-13-22)19(3)4/h10-13,19-20,25,30H,7-9,14-18H2,1-6H3,(H,29,35)/t25-/m0/s1/f/h29H 4232.4265364294 -1602.4450403 1-A 20737.1929 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1 1 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 1.00783 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 12859.4155 28313.3165 31187.3833 0.99991 -0.00836 0.01036 0.00819 0.99983 0.01673 -0.01050 -0.01665 0.99981 1 0.00674 0.00306 0.00278 0.14034 0.06374 0.05787 17.73 25.23 29.31 36.88 47.05 55.74 64.61 80.48 82.12 91.07 101.00 109.78 127.55 140.61 148.50 160.68 194.57 202.78 220.22 224.63 236.86 251.90 289.22 317.12 324.96 342.73 360.39 361.85 364.32 370.05 378.71 395.44 403.05 414.42 419.02 447.48 452.15 485.55 499.66 524.66 544.45 569.74 583.84 597.54 617.76 640.95 651.82 655.70 680.33 688.33 703.34 717.32 742.82 752.14 795.37 836.07 868.69 880.71 893.27 905.58 978.04 981.16 998.86 1009.30 1069.36 1107.33 1123.80 1144.94 1182.42 1198.97 1208.33 1237.19 1241.83 1255.28 1271.36 1287.53 1300.89 1324.10 1340.18 1364.21 1374.07 1378.54 1383.82 1386.92 1389.90 1398.74 1432.51 1460.71 1469.53 1476.27 1498.33 1501.70 1517.13 1531.66 1568.49 1570.18 1586.36 1590.05 1603.94 1608.65 1633.18 1665.93 1669.32 1675.47 1707.15 1717.54 1729.60 1739.11 1742.92 1748.51 1761.01 1770.93 1783.75 1803.80 1811.97 1844.67 1852.76 1864.32 1878.17 1887.53 1898.79 1904.41 1922.99 1935.36 1953.90 1966.59 1986.25 2024.57 2039.12 2049.10 2052.53 2066.94 2095.15 2098.23 2104.72 2127.60 2136.01 2137.61 2152.42 2164.77 2180.62 2183.94 2197.21 2206.66 2220.75 2228.96 2237.25 2237.85 2240.01 2243.15 2247.46 2257.28 2265.10 2270.19 2271.20 2280.43 2282.89 2288.71 2298.07 2303.42 2335.90 2343.10 2343.71 2343.72 2347.13 2351.24 2356.29 2357.06 2361.47 2364.35 2368.57 2370.40 2371.14 2377.15 2377.90 2378.80 2380.76 2392.16 2397.68 2400.73 2412.60 2433.70 2548.27 2618.61 2651.39 2785.79 2809.85 2837.81 4598.62 4607.99 4616.08 4621.99 4622.68 4627.15 4632.68 4637.78 4643.34 4651.34 4653.84 4695.04 4696.76 4706.85 4711.16 4711.98 4716.52 4717.34 4717.71 4720.91 4728.20 4739.10 4739.70 4742.23 4742.45 4751.20 4772.54 4774.41 4781.62 4782.27 4796.84 4801.84 4816.75 4827.50 4827.98 4831.21 4834.02 4858.36 4861.36 4871.25 4935.14 5354.95 5540.19 0.747305 0.782679 0.783623 0.676167 -1601.697736 -1601.662361 -1601.661417 -1601.768873 3.604092D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE CCN1C(=C([C@@H](NC1=O)c2ccc(cc2)C(C)C)C(=O)OCC)C[NH+]3CCCN(CC3)C(=O)C(C)C C35664158 RHF 6-31G(d) (6D,10F) C1 499.328431 |X|Y|Z| 114.843056 67.958966 54.127470 75.033708 20 6 7 16 4 |36.858105| |12.483775|36.858105| |7.616329|12.945165|53.358707| |5.450584|7.477307|18.565524|36.858105| |4.158320|5.065550|10.866491|14.220569|36.858105| |3.827263|4.424145|9.104089|7.661480|12.556201|36.858105| |3.188936|3.687332|7.005062|5.886010|9.010381|17.657547|0.500000| |4.374578|5.241717|11.133323|7.034808|7.912755|13.148733|0.259210|53.358707| |6.022550|7.917773|18.521518|7.833437|6.752043|7.636605|0.162402|19.278051|36.858105| |6.035366|7.263404|11.482216|5.412649|4.740682|5.325775|0.124090|11.581368|15.908934|73.516695| |3.550683|3.731790|6.866428|5.502873|7.532758|12.481066|0.249366|10.441671|5.593124|7.819162|36.858105| |2.827154|2.942109|5.069733|4.067516|5.354296|7.543975|0.206494|7.279991|4.083601|6.115989|13.773473|36.858105| |2.564305|2.571457|4.215322|3.301435|4.021801|4.999612|0.133965|5.477159|3.330842|5.216628|7.900770|13.711297|36.858105| |2.729420|2.631202|4.205482|3.215508|3.715521|4.383682|0.110668|5.091981|3.274047|5.219719|6.756713|7.873515|13.746908|36.858105| |3.381234|3.166635|5.105749|3.821227|4.285018|4.988003|0.116713|5.930090|3.940786|6.199668|7.895034|6.914371|8.005916|13.638291|36.858105| |4.061552|3.946394|6.886451|5.174412|6.011404|7.474194|0.155476|8.431129|5.390636|7.888727|13.667712|7.998217|6.920677|7.876552|13.810920|36.858105| |2.341671|2.224490|3.419479|2.586651|2.882978|3.246759|0.084351|3.944944|2.629206|4.324764|4.388185|4.992179|7.530473|12.517888|7.475387|4.987210|36.858105| |2.288078|2.137200|3.215431|2.352315|2.548458|2.890199|0.074958|3.701042|2.517787|4.269057|3.726183|4.012605|5.323966|7.526623|6.059037|4.308808|12.410238|36.858105| |2.279599|2.140010|3.227417|2.475406|2.704837|2.883845|0.074464|3.496944|2.397594|3.940184|3.719500|3.998261|5.301949|7.522633|6.068010|4.307202|12.411261|7.519436|36.858105| |3.263366|3.782139|6.861850|7.648697|12.732953|7.440939|0.196764|6.895397|4.418727|6.148727|5.927522|5.015073|3.895744|3.499840|3.787373|4.782135|2.788165|2.400295|2.679255|36.858105| |3.125553|3.549828|5.990818|6.477249|7.954705|5.196359|0.136141|5.412127|3.711284|5.365495|4.579313|4.021306|3.365917|3.138713|3.395292|4.067420|2.591317|2.233293|2.578258|15.880522|73.516695| |2.764973|3.145914|5.534327|5.363581|8.189074|7.028106|0.226095|6.438091|3.888130|5.583080|5.821952|5.595303|4.190764|3.527851|3.595751|4.364397|2.817213|2.405610|2.645919|14.580805|15.373522|73.516695| |2.330969|2.590209|4.293174|3.958262|5.177655|4.623204|0.144310|4.751239|3.008426|4.514237|4.269518|4.444288|3.663070|3.108650|3.053751|3.461029|2.600101|2.207743|2.498113|8.083461|12.765770|23.541686|36.858105| |2.060664|2.268117|3.702831|3.218708|4.071447|4.059311|0.133708|4.348362|2.708015|4.161880|3.844545|4.309882|3.612695|2.962129|2.801996|3.089788|2.523343|2.159938|2.369259|5.278272|8.209209|14.235215|12.598017|36.858105| |4.892075|6.476117|10.466138|12.567418|7.627406|4.883209|0.117037|6.177382|5.055461|7.187099|3.971387|3.208308|2.736636|2.697475|3.118273|3.873432|2.259698|2.058753|2.230102|6.453443|12.087428|8.099592|3.693627|2.948947|36.858105| |5.184152|5.817940|7.999860|7.443691|5.428076|3.934676|0.094225|5.016897|4.141294|6.238310|3.545791|2.916388|2.598438|2.656021|3.117377|3.714228|2.271062|2.073382|2.307435|4.947978|9.964030|6.569461|3.172650|2.572080|12.591147|53.358707| |6.786879|7.166245|8.642414|6.870504|4.885147|3.774424|0.089297|5.054325|4.384399|6.776025|3.444087|2.806125|2.525419|2.625824|3.139227|3.732339|2.256588|2.096068|2.284435|4.199554|7.953915|5.818842|2.803997|2.340077|9.218345|25.744172|0.500000| |4.442060|4.500965|6.640709|6.208354|5.361107|4.000288|0.095130|4.811745|3.755183|5.652000|3.905149|3.235419|2.945601|3.073575|3.646374|4.243675|2.615867|2.326705|2.730577|5.251331|11.047970|6.950475|3.410984|2.721441|7.498448|17.040606|0.258503|36.858105| |4.232554|3.879985|5.301243|4.373497|3.882185|3.208209|0.077513|4.017744|3.171048|5.007624|3.285362|2.806359|2.673814|2.897397|3.447847|3.747824|2.564641|2.319563|2.767103|3.757691|7.512205|5.406829|2.749674|2.289589|4.909029|10.191905|0.203991|12.486185|36.858105| |3.689351|3.424374|4.440168|3.558025|3.132067|2.629775|0.065265|3.379994|2.690602|4.366956|2.626748|2.303685|2.204110|2.353078|2.707906|2.899517|2.138877|1.971613|2.301922|3.081655|6.202705|4.561563|2.381670|2.014704|4.212746|8.578361|0.175407|7.356823|12.478943|36.858105| |4.224379|3.921459|4.750374|3.660053|3.075614|2.582675|0.064053|3.430444|2.819225|4.645466|2.501698|2.170901|2.048534|2.166242|2.501283|2.734118|1.958806|1.837682|2.057710|2.922179|5.738104|4.332192|2.231025|1.906865|4.475631|9.242332|0.212366|6.120295|7.726076|13.032036|53.358707| |3.911070|3.984379|4.834246|3.820737|3.158735|2.588948|0.065073|3.440318|2.824017|4.619248|2.424667|2.111797|1.959787|2.025438|2.301984|2.559106|1.818944|1.700533|1.883809|3.044810|6.072122|4.485192|2.317882|1.967253|5.095816|10.209253|0.211926|5.665728|5.722624|7.712558|17.982064|36.858105| |3.977579|4.378572|5.703292|4.937765|3.991620|3.073359|0.077021|3.965605|3.208008|5.047149|2.800964|2.412002|2.189771|2.224128|2.524782|2.882444|1.957045|1.799168|2.009466|3.938028|8.213159|5.542763|2.826903|2.323084|7.728453|17.179068|0.258263|7.605686|6.043663|6.573920|10.507320|12.404331|36.858105| |4.357335|3.766240|4.385797|3.196300|2.711056|2.366266|0.058732|3.224025|2.683387|4.558633|2.317707|2.019021|1.926723|2.061333|2.388620|2.571513|1.887526|1.806068|1.978231|2.521260|4.792085|3.828352|1.968755|1.718150|3.654593|6.744453|0.164170|4.577607|5.801107|7.848459|18.703074|7.565329|5.129566|36.858105| |4.114364|3.410362|4.077880|2.951654|2.569309|2.294048|0.056839|3.115720|2.564758|4.385621|2.306429|2.021341|1.960812|2.134575|2.485744|2.613065|1.979257|1.906295|2.100842|2.391682|4.503533|3.674157|1.895505|1.666827|3.223818|5.748257|0.136579|4.252203|5.779414|7.197414|11.641736|5.323338|4.126602|15.916207|73.516695| |4.128152|3.661216|4.096389|2.895174|2.446521|2.166381|0.054372|3.022182|2.545078|4.433021|2.083868|1.826364|1.733741|1.833772|2.099772|2.270399|1.684499|1.631593|1.738692|2.257525|4.225267|3.479744|1.791530|1.584012|3.291033|5.591822|0.134940|3.577027|4.060641|4.964996|10.282064|6.362222|4.389500|12.480490|14.242767|36.858105| |3.115822|2.901727|3.387000|2.453049|2.127632|1.891023|0.048240|2.608680|2.146364|3.731554|1.821929|1.626469|1.552290|1.629239|1.829149|1.953750|1.513779|1.463155|1.570848|2.016811|3.814097|3.150113|1.652302|1.468521|2.811346|4.633399|0.104494|3.038282|3.405983|4.320476|8.086587|5.605912|3.875929|7.615431|10.323617|12.377049|36.858105| |4.092889|3.433821|3.817157|2.609875|2.239326|2.044734|0.051330|2.902823|2.455689|4.397887|1.990425|1.750660|1.677008|1.789727|2.053198|2.192761|1.659083|1.635230|1.704252|2.040407|3.741114|3.195804|1.641507|1.472436|2.815905|4.550864|0.109462|3.025449|3.429025|3.871105|6.865205|4.284546|3.356529|7.605585|12.355366|12.452738|7.531571|36.858105| |17.558851|8.846489|7.563375|4.322240|3.416253|3.157175|0.075493|4.845900|4.653629|8.679617|2.953722|2.435673|2.244244|2.385814|2.878464|3.317986|2.097982|2.070513|2.062283|2.806054|4.868165|4.296648|2.084183|1.858548|4.176178|6.186364|0.164017|3.856845|3.843234|3.570103|5.824536|3.951043|3.774691|4.712261|7.787663|4.797425|3.480950|5.003461|0.500000| |17.511485|8.705643|9.279932|5.587635|4.317562|3.854380|0.088406|5.612080|5.251028|8.716786|3.719463|2.949279|2.707433|2.935553|3.714679|4.424607|2.514265|2.421785|2.496251|3.459385|6.019382|5.113843|2.436734|2.124044|5.173439|8.290246|0.233394|5.514387|5.470224|4.496844|6.851279|4.365559|4.429947|5.109495|8.767137|4.422776|3.290850|4.245503|0.300868|0.500000| |17.621282|8.851053|9.362975|4.857655|3.965554|3.915489|0.090234|6.355890|6.490938|12.661292|3.730109|2.957391|2.699313|2.904634|3.648943|4.372862|2.483343|2.474664|2.373024|3.090520|5.144126|4.779427|2.260441|2.031934|4.105245|5.690606|0.140709|3.828244|3.685800|3.180417|4.743630|3.218774|3.295733|3.625017|6.342913|3.447415|2.701574|3.554075|0.302028|0.301706|0.500000| |8.806350|17.633718|12.373289|7.124956|4.757236|3.919616|0.093554|5.906092|5.803409|9.351726|3.319969|2.689370|2.366973|2.407221|2.839587|3.450357|2.061793|1.963766|2.013986|3.762998|6.535471|5.480236|2.584924|2.235340|7.713318|9.560526|0.247076|4.811277|4.076932|3.746550|6.123653|4.864329|5.426026|4.173584|6.402179|4.124404|3.255119|3.659916|0.213630|0.206213|0.173413|0.500000| |8.901383|17.694578|12.556628|5.789936|4.323943|4.012958|0.096162|6.825391|7.640469|14.763723|3.362495|2.719165|2.383290|2.415339|2.845133|3.471791|2.064580|2.010777|1.966576|3.317582|5.480508|5.095971|2.386017|2.135525|5.071899|6.079646|0.144209|3.599299|3.186719|2.897687|4.498838|3.403302|3.649702|3.253916|5.285993|3.299127|2.678652|3.189586|0.213547|0.172797|0.214901|0.306604|0.500000| |3.837681|4.364565|8.102873|5.143658|5.720480|9.068553|0.219665|25.995170|9.717860|14.156181|6.826601|5.248907|4.038853|3.720365|4.203128|5.609507|2.913574|2.794797|2.523678|4.152613|5.968138|7.274220|3.152619|3.004942|3.669678|4.223766|0.087474|3.018352|2.606965|2.225239|3.067708|2.245982|2.532581|2.150473|3.731180|2.033850|1.769534|1.982671|0.089326|0.099759|0.117549|0.101578|0.121067|0.500000| |2.567339|2.735255|4.687004|3.802429|5.064584|7.009942|0.229655|6.832791|3.779969|5.704300|8.928921|17.709835|8.931179|5.629173|4.973022|5.664823|4.085979|3.395424|3.380529|5.011455|7.030421|11.051288|4.988807|5.222243|3.058042|3.700016|0.071966|2.944224|2.535118|2.128157|2.751125|1.998600|2.294631|1.873787|3.305926|1.713540|1.540593|1.636710|0.062231|0.073345|0.073855|0.070354|0.071293|0.139002|0.500000| |2.241215|2.256745|3.627038|2.838511|3.404682|4.092311|0.115042|4.622409|2.852056|4.549801|5.643280|8.942399|17.711168|8.930790|5.668451|4.976405|6.995750|5.020803|4.989136|3.416619|5.352439|6.732629|3.490295|3.613084|2.419753|3.131298|0.061908|2.581896|2.368284|1.994350|2.524642|1.785074|1.983024|1.748392|3.161533|1.584347|1.433920|1.534291|0.055344|0.065267|0.065165|0.058363|0.058763|0.095952|0.217073|0.500000| |3.462455|3.098766|4.770742|3.481678|3.698295|4.081082|0.096574|5.128729|3.607935|5.863926|5.639989|4.973768|5.669297|8.879426|17.717644|8.986412|6.918270|6.294808|6.307877|3.286781|5.417677|5.452717|2.665816|2.443276|2.937198|4.139994|0.086829|3.571273|3.567562|2.804218|3.510859|2.320867|2.485326|2.509919|4.744848|2.187871|1.894678|2.166999|0.082804|0.107586|0.104666|0.077332|0.077217|0.101198|0.107868|0.124223|0.500000| |5.249853|4.889505|8.562728|5.981033|6.176958|6.907113|0.139958|8.843314|6.431862|9.287926|8.871204|5.662697|4.975146|5.630296|8.984263|17.691624|4.080933|3.729988|3.723559|4.605397|7.153071|7.089520|3.173706|2.794593|4.361445|5.808669|0.123742|4.763240|4.222330|3.213540|4.204874|2.854827|3.193232|2.927148|5.276292|2.569394|2.161668|2.486700|0.113294|0.162688|0.159471|0.114497|0.115162|0.156010|0.124114|0.107894|0.218718|0.500000| |2.108479|2.037668|3.135842|2.391729|2.694396|3.042003|0.081452|3.673031|2.418399|3.982681|3.996082|4.833643|7.462080|9.023939|5.600685|4.205661|17.542378|8.948599|8.951243|2.663827|4.395870|4.915666|2.607956|2.598914|2.105874|2.846984|0.057257|2.382599|2.309977|1.957748|2.449242|1.691099|1.826049|1.726901|3.193971|1.553829|1.409316|1.525351|0.052852|0.062236|0.061683|0.052851|0.052973|0.075935|0.115263|0.230865|0.139956|0.096609|0.500000| |2.498894|2.279782|3.387711|2.440252|2.590627|2.905766|0.073828|3.794049|2.642519|4.520815|3.708255|3.761758|4.677551|6.717972|6.480045|4.537334|8.732349|17.547076|6.791034|2.396398|3.984869|4.180750|2.135819|2.056786|2.134930|2.963828|0.061911|2.444591|2.478354|2.095870|2.665334|1.790727|1.877511|1.944679|3.685675|1.749885|1.555679|1.768849|0.062748|0.073930|0.075910|0.057798|0.059336|0.079071|0.087820|0.117106|0.212811|0.113034|0.173656|0.500000| |2.048227|1.915257|2.841553|2.084971|2.240016|2.491327|0.065449|3.205641|2.203108|3.764191|3.095852|3.340585|4.283427|5.491256|4.581562|3.481886|8.794818|17.555621|6.887438|2.141960|3.588471|3.828188|2.012879|1.982686|1.858231|2.561512|0.052770|2.104015|2.120732|1.832299|2.321470|1.579102|1.657953|1.682735|3.166953|1.525884|1.380577|1.533238|0.052174|0.060099|0.061009|0.049359|0.050303|0.067094|0.081240|0.118107|0.133970|0.086114|0.215723|0.302014|0.500000| |2.256854|2.132496|3.228614|2.336478|2.545147|2.966662|0.077824|3.860569|2.588746|4.427371|3.798551|4.162637|5.431924|6.900138|5.569884|4.230027|8.752959|17.564014|5.470373|2.370963|3.867164|4.278994|2.192396|2.177659|2.022223|2.726449|0.056308|2.206862|2.166042|1.854818|2.384202|1.637633|1.738423|1.722705|3.203476|1.573729|1.411251|1.580544|0.056672|0.065251|0.068437|0.054075|0.056356|0.082911|0.099051|0.144711|0.151048|0.101291|0.213265|0.301572|0.301335|0.500000| |2.487008|2.282930|3.401591|2.584200|2.762268|2.898238|0.073318|3.565883|2.498707|4.120730|3.700156|3.748228|4.660431|6.712382|6.488705|4.533715|8.732558|6.793982|17.543312|2.686931|4.637606|4.595102|2.407765|2.243066|2.336641|3.358005|0.068619|2.953124|3.082079|2.529479|3.055897|2.019401|2.132419|2.175503|4.166660|1.890184|1.693186|1.861044|0.062431|0.076812|0.072002|0.059528|0.057802|0.070858|0.087447|0.116533|0.213428|0.112757|0.173677|0.200490|0.168985|0.139030|0.500000| |2.243026|2.137265|3.249377|2.554252|2.829822|2.954862|0.076886|3.490735|2.377663|3.854706|3.786260|4.135040|5.391301|6.893303|5.581161|4.227181|8.750114|5.469124|17.554667|2.893630|5.010127|5.100426|2.758705|2.589685|2.324673|3.274514|0.065121|2.899117|2.900785|2.399254|2.878306|1.947590|2.102007|2.000575|3.747711|1.748134|1.588019|1.691164|0.056301|0.068566|0.063873|0.056456|0.054255|0.069075|0.098230|0.143022|0.151434|0.101004|0.213266|0.138972|0.140758|0.122398|0.301286|0.500000| |2.042028|1.917263|2.849855|2.170014|2.344977|2.487236|0.065118|3.069157|2.120533|3.531049|3.091997|3.332302|4.271962|5.489599|4.585255|3.480958|8.794422|6.885793|17.556914|2.335110|4.026598|4.128505|2.227824|2.142497|1.982489|2.794873|0.056607|2.391454|2.449877|2.090880|2.557166|1.723956|1.819723|1.820617|3.446271|1.613174|1.470761|1.590166|0.052000|0.061572|0.058991|0.050394|0.049392|0.062013|0.080975|0.117573|0.134122|0.086008|0.215777|0.168847|0.207055|0.140765|0.302150|0.301372|0.500000| |2.303163|2.500003|4.081209|3.741566|4.761990|4.235525|0.124989|4.387009|2.830308|4.279134|4.207515|4.439596|3.834784|3.302780|3.210563|3.539175|2.785307|2.315275|2.738087|7.254297|12.884780|16.504237|17.638120|8.800872|3.552935|4.354851|0.078279|3.607189|2.935459|2.513782|3.129342|2.353884|2.854232|2.019325|3.484953|1.812696|1.674788|1.658199|0.057286|0.067989|0.061974|0.069384|0.063335|0.081168|0.132002|0.101730|0.078074|0.089322|0.077601|0.062062|0.058792|0.062921|0.072946|0.086059|0.067452|0.500000| |2.269405|2.552340|4.151026|3.845434|4.747937|4.037763|0.123319|4.358742|2.847449|4.308624|3.610076|3.617595|3.057068|2.682683|2.684600|3.038019|2.289587|1.980599|2.228923|7.262107|12.971014|16.503997|17.639071|8.808811|3.796681|4.387370|0.078112|3.363676|2.697571|2.391010|3.075078|2.397491|2.963317|1.976095|3.345261|1.809862|1.683351|1.642774|0.056919|0.065620|0.060377|0.072172|0.065511|0.080027|0.109945|0.081041|0.066513|0.079741|0.063438|0.053698|0.050557|0.054562|0.060357|0.067839|0.055807|0.301805|0.500000| |2.044906|2.283812|3.733138|3.199504|3.999959|4.059766|0.139026|4.475389|2.768013|4.271160|3.651980|3.987899|3.291457|2.724196|2.613920|2.921620|2.324623|2.033984|2.161661|4.912916|7.476832|12.859704|8.850923|17.581356|2.912750|3.386884|0.063331|2.557219|2.153583|1.914007|2.505502|1.915549|2.256456|1.667527|2.861144|1.554732|1.441304|1.448925|0.051358|0.057751|0.056111|0.062450|0.060507|0.086588|0.135757|0.090868|0.063683|0.074449|0.066193|0.054078|0.051875|0.057576|0.057292|0.064496|0.054606|0.172866|0.210861|0.500000| |2.065153|2.240687|3.671066|3.129455|3.992397|4.238456|0.140450|4.486109|2.742647|4.229092|4.254868|5.158414|4.319183|3.374586|3.084775|3.348510|2.846113|2.398856|2.615162|4.894184|7.449378|12.787670|8.849158|17.582615|2.792381|3.366865|0.063319|2.656398|2.267094|1.974081|2.532408|1.891408|2.204940|1.691683|2.944521|1.554956|1.434784|1.457900|0.051531|0.059233|0.057257|0.060489|0.058635|0.087648|0.184541|0.123332|0.073472|0.081833|0.082755|0.062567|0.060839|0.067568|0.067676|0.079528|0.065355|0.211480|0.172922|0.300415|0.500000| |1.867024|2.034449|3.243149|2.780737|3.372211|3.311374|0.104978|3.683073|2.354502|3.679135|3.204496|3.571642|3.155334|2.651739|2.493376|2.682622|2.328199|2.001544|2.222263|4.277422|7.115235|10.190982|8.927941|17.570001|2.625786|3.188033|0.059275|2.484357|2.128187|1.900560|2.438526|1.850039|2.163189|1.616203|2.791753|1.492674|1.397346|1.386860|0.047267|0.053567|0.051008|0.056147|0.053377|0.071290|0.115613|0.089481|0.061412|0.068085|0.067164|0.052841|0.051689|0.055754|0.058259|0.067805|0.056555|0.211088|0.212137|0.301040|0.301226|0.500000| |4.884364|7.000678|9.831887|8.921208|5.854525|4.205712|0.103934|5.705115|4.863412|7.229157|3.408219|2.814101|2.425155|2.389852|2.732144|3.325064|2.034507|1.884966|1.999090|4.985603|9.080522|6.836729|3.208143|2.654970|17.664219|12.400695|0.224120|5.547651|4.128388|3.796589|5.830440|5.147256|7.292962|3.598185|5.521879|3.411618|2.920679|2.905205|0.120616|0.134606|0.112110|0.265250|0.158992|0.096227|0.075498|0.060305|0.072287|0.103917|0.052947|0.054358|0.047567|0.051779|0.058085|0.057359|0.049927|0.084576|0.092940|0.074278|0.069652|0.066362|0.500000| |3.849837|4.778591|7.728137|8.910142|7.299128|4.629265|0.116563|5.537862|4.222744|6.108788|3.799114|3.185490|2.712134|2.622530|2.944417|3.577456|2.209076|1.987009|2.190977|7.645096|16.316140|9.215041|4.299141|3.287207|17.792368|12.465838|0.181946|6.880495|4.503585|3.942480|5.446300|4.630712|7.239365|3.239322|5.140958|2.917302|2.584520|2.499094|0.094082|0.113329|0.093454|0.151228|0.111505|0.093344|0.086135|0.067441|0.076215|0.106714|0.057877|0.056549|0.050098|0.054154|0.062980|0.064342|0.054260|0.113864|0.127728|0.089592|0.084236|0.081436|0.302509|0.500000| |3.593567|3.753589|5.629812|5.400984|5.060860|3.756798|0.092591|4.396686|3.311480|5.007948|3.654120|3.147660|2.868745|2.924512|3.328768|3.787427|2.514626|2.207003|2.643089|5.608656|13.360930|7.398778|3.782159|2.925959|6.729241|12.403823|0.182905|17.689218|8.724416|6.408775|7.054661|5.161319|7.287264|3.897574|6.442667|3.148040|2.794627|2.664263|0.088892|0.117227|0.088337|0.112242|0.086739|0.077432|0.081204|0.070978|0.089055|0.111993|0.064676|0.063401|0.055904|0.058180|0.077869|0.079565|0.064723|0.113676|0.105621|0.075324|0.078033|0.074909|0.140841|0.200864|0.500000| |4.712889|4.770120|7.669272|7.438408|6.771312|4.961117|0.112849|5.722658|4.368816|6.354503|4.982271|3.925401|3.504203|3.674316|4.526954|5.564763|3.004479|2.632718|3.084241|6.213929|11.995797|7.993822|3.737006|2.970653|7.297409|12.327427|0.215250|17.693217|8.872518|5.454107|6.503212|4.426560|5.609091|3.922581|6.714267|3.180547|2.690452|2.807466|0.108592|0.162854|0.116739|0.132747|0.105177|0.097817|0.096429|0.082989|0.119912|0.176156|0.075076|0.076910|0.065004|0.069384|0.092745|0.090857|0.073426|0.109787|0.098761|0.077124|0.081913|0.073880|0.146797|0.181842|0.304350|0.500000| |3.549432|3.278119|4.616229|3.827710|3.609636|3.066877|0.075029|3.759898|2.876910|4.557548|3.258638|2.859734|2.792716|3.063948|3.584246|3.731337|2.754411|2.445237|3.071985|3.630586|7.288235|5.353931|2.784061|2.324208|4.112374|7.548903|0.146414|9.068450|17.548566|8.855786|7.636086|4.462482|4.746730|4.581659|8.542502|3.382176|2.954558|2.958928|0.089836|0.122605|0.089527|0.093535|0.076863|0.068666|0.071380|0.069032|0.103645|0.112011|0.068747|0.072217|0.062402|0.062506|0.095768|0.091129|0.075227|0.084631|0.074985|0.059884|0.064434|0.060452|0.096609|0.109680|0.219902|0.212907|0.500000| |5.021279|4.237823|5.620420|4.351261|3.798715|3.255936|0.077473|4.196625|3.390137|5.432044|3.382810|2.841590|2.726409|3.024074|3.722064|4.033712|2.674309|2.465294|2.863563|3.489111|6.627721|5.106244|2.554945|2.170894|4.574792|8.910839|0.204135|8.833841|17.572690|8.957631|9.720672|5.098420|5.080310|6.257342|11.951164|4.320106|3.451409|3.805982|0.125268|0.194663|0.121270|0.119365|0.095656|0.076019|0.070359|0.066463|0.110556|0.131738|0.065906|0.074607|0.062198|0.063841|0.090464|0.081331|0.070215|0.074844|0.068861|0.057167|0.060389|0.055768|0.109754|0.111890|0.172965|0.220430|0.304243|0.500000| |3.172343|3.073529|4.074242|3.352883|3.015335|2.508997|0.063274|3.182078|2.489850|4.023140|2.485333|2.215259|2.114523|2.221725|2.499910|2.671404|2.027348|1.853395|2.184150|3.084174|6.403021|4.584011|2.445647|2.052822|4.078504|7.933114|0.149112|6.715704|8.763942|17.555094|12.445165|7.516735|6.885344|5.864844|9.382184|4.231585|3.966679|3.317533|0.085184|0.103304|0.077040|0.094280|0.073450|0.058296|0.057553|0.053667|0.070761|0.080350|0.052164|0.054063|0.048099|0.048560|0.065630|0.064040|0.055409|0.072112|0.069188|0.053977|0.055312|0.054261|0.102271|0.111375|0.187739|0.137377|0.208506|0.173848|0.500000| |3.338474|3.013645|3.890346|3.035736|2.732161|2.369541|0.059192|3.069369|2.429979|4.010190|2.411171|2.145072|2.089967|2.259150|2.582782|2.689728|2.095953|1.949892|2.287784|2.684587|5.295906|4.076532|2.149748|1.850089|3.434531|6.410385|0.135059|5.459269|8.921785|17.694285|12.504272|5.780007|4.828026|7.643708|14.816122|4.810439|4.312441|3.922541|0.091408|0.111677|0.081970|0.089413|0.072335|0.056944|0.054936|0.052862|0.075669|0.082087|0.053179|0.057887|0.050758|0.050618|0.070481|0.065772|0.058312|0.063253|0.059553|0.048789|0.050737|0.048786|0.087620|0.089896|0.136327|0.123896|0.218247|0.215983|0.303468|0.500000| |3.199420|3.267272|4.068422|3.234110|2.776892|2.309606|0.059010|3.047720|2.452958|4.040659|2.178094|1.933612|1.808204|1.859986|2.078500|2.275044|1.690108|1.579048|1.760272|2.757112|5.552758|4.142869|2.190735|1.870279|4.192831|7.584900|0.149549|4.662193|4.783851|6.668131|12.295888|17.529485|8.983352|6.113565|8.190450|5.455046|5.581143|3.799459|0.090214|0.097357|0.075565|0.107489|0.079984|0.055884|0.051243|0.046214|0.058141|0.069140|0.043968|0.045924|0.041034|0.042211|0.052095|0.050767|0.045106|0.062033|0.063535|0.050523|0.049726|0.049399|0.117861|0.111987|0.126457|0.103647|0.110761|0.116655|0.206626|0.149120|0.500000| |4.143231|4.289767|4.929133|3.727459|3.028328|2.520869|0.063494|3.439319|2.881269|4.797980|2.328444|2.022634|1.869228|1.926162|2.189832|2.447574|1.729833|1.635314|1.770924|2.844582|5.506696|4.242676|2.175105|1.871383|4.865618|8.741832|0.197259|4.673645|4.619839|5.641105|12.508412|17.682500|8.894189|7.189468|8.853020|7.438185|6.284538|4.796709|0.121064|0.122685|0.093233|0.151242|0.103649|0.062598|0.053383|0.047352|0.061325|0.076349|0.044737|0.047914|0.042179|0.044057|0.052609|0.050419|0.045171|0.060535|0.062472|0.051170|0.050036|0.048774|0.147178|0.119154|0.117015|0.108210|0.102974|0.122447|0.147581|0.128695|0.303989|0.500000| |3.735487|4.358183|5.659629|4.866117|3.915256|3.018590|0.076925|3.950450|3.200293|5.055325|2.672409|2.315375|2.080305|2.082026|2.335956|2.682893|1.831148|1.691997|1.856409|3.859562|7.885455|5.510658|2.811880|2.326524|7.882069|12.272699|0.202136|5.679832|4.548598|4.811642|7.727474|8.868095|17.642484|4.256769|6.180684|3.963456|3.592012|3.102863|0.099451|0.109757|0.086764|0.154903|0.104066|0.070130|0.062105|0.052660|0.063269|0.081835|0.047844|0.048775|0.043374|0.045818|0.054184|0.053793|0.046920|0.077067|0.083422|0.063717|0.060679|0.060171|0.242189|0.213043|0.156572|0.129100|0.104867|0.112065|0.140064|0.106045|0.206581|0.227348|0.500000| |3.368292|3.633388|4.962658|4.415473|3.824127|2.953113|0.075071|3.701774|2.896426|4.543745|2.740639|2.406471|2.200647|2.224639|2.486486|2.794526|1.969148|1.788885|2.044617|4.029832|8.905392|5.696694|2.994964|2.423585|6.438564|12.414071|0.185571|7.658887|6.051067|6.617498|8.837864|8.721743|17.675284|4.429123|6.663944|3.727928|3.445752|2.937872|0.088259|0.104692|0.080268|0.118167|0.086029|0.066179|0.063878|0.055726|0.067672|0.083878|0.051318|0.051483|0.045980|0.047775|0.059929|0.060187|0.051489|0.085567|0.088179|0.064540|0.063453|0.063302|0.158855|0.191627|0.244600|0.153059|0.140262|0.132571|0.221649|0.135430|0.224068|0.175083|0.304148|0.500000| |4.587749|4.248658|4.569601|3.191082|2.631322|2.304648|0.057774|3.250439|2.782357|4.845646|2.170295|1.886515|1.767685|1.850975|2.121897|2.336410|1.681694|1.625223|1.716051|2.397832|4.466199|3.671231|1.873294|1.651524|3.702379|6.180368|0.152446|3.694481|3.940272|4.597205|9.586356|6.986358|4.885925|8.849839|10.697525|17.547932|8.867738|8.942860|0.151048|0.131247|0.103070|0.139461|0.106447|0.060308|0.049393|0.044775|0.060670|0.073851|0.043210|0.048221|0.042025|0.043845|0.051472|0.048008|0.044055|0.052142|0.052830|0.045315|0.044826|0.043035|0.110614|0.089375|0.090053|0.091532|0.090218|0.115080|0.111764|0.117095|0.157603|0.268526|0.127075|0.110013|0.500000| |2.834180|2.597659|3.094016|2.249868|1.984371|1.781468|0.045538|2.443043|1.988761|3.461206|1.740625|1.565944|1.509631|1.594388|1.782911|1.877711|1.496482|1.449945|1.566178|1.895031|3.584310|2.981835|1.574698|1.405563|2.532505|4.160919|0.092672|2.847645|3.287322|4.200222|7.228094|4.680541|3.404364|6.950599|10.709653|8.785943|17.569715|6.839659|0.086813|0.084145|0.069657|0.079031|0.066708|0.046310|0.041108|0.038855|0.051684|0.057334|0.038677|0.042895|0.038196|0.038667|0.047049|0.043917|0.040941|0.044626|0.044370|0.038161|0.038298|0.037291|0.071722|0.065369|0.073245|0.070515|0.081088|0.092864|0.107020|0.123498|0.132292|0.135113|0.086552|0.086931|0.173517|0.500000| |2.904808|2.741452|3.182062|2.276977|1.982314|1.779664|0.045680|2.479567|2.042877|3.593764|1.704706|1.528034|1.456380|1.521185|1.698108|1.814477|1.416171|1.376980|1.458865|1.873004|3.508548|2.953159|1.550358|1.389416|2.578960|4.090434|0.091751|2.661618|2.896061|3.495796|6.211384|4.561231|3.377222|5.528650|8.051991|8.808851|17.580812|6.936586|0.091291|0.082773|0.070788|0.085031|0.071967|0.047011|0.040406|0.037507|0.048695|0.055552|0.036766|0.040583|0.036162|0.037090|0.043455|0.040838|0.038082|0.043376|0.043944|0.038094|0.037691|0.036765|0.075643|0.066035|0.068549|0.066695|0.070822|0.081949|0.090810|0.096316|0.126732|0.147328|0.090196|0.083617|0.213164|0.301701|0.500000| |2.956826|2.845780|3.382733|2.507173|2.178526|1.909981|0.048948|2.605428|2.125255|3.648213|1.828978|1.637444|1.556317|1.621543|1.810026|1.940963|1.502181|1.439128|1.561366|2.096386|4.021200|3.260723|1.721759|1.520092|2.952615|4.903976|0.107216|3.180610|3.502568|4.597402|8.644155|6.687051|4.372943|6.844966|9.111189|8.658397|17.559532|5.457431|0.089255|0.087179|0.071059|0.090178|0.072549|0.048856|0.043283|0.040011|0.051634|0.059243|0.039007|0.042240|0.037717|0.038554|0.046501|0.044191|0.040555|0.048511|0.049131|0.041394|0.040993|0.040288|0.085329|0.076543|0.082880|0.076731|0.084348|0.094936|0.123009|0.123362|0.205085|0.203019|0.112799|0.108853|0.210408|0.301582|0.302148|0.500000| |5.014959|3.919464|4.249220|2.825260|2.404056|2.215084|0.055037|3.186370|2.740785|4.964622|2.162370|1.880891|1.798952|1.933034|2.248844|2.415092|1.780605|1.765760|1.816539|2.147612|3.888215|3.356105|1.704331|1.530165|2.967845|4.758370|0.117551|3.172199|3.573081|3.811547|6.566275|4.054737|3.335695|6.924374|12.009828|8.755710|5.470369|17.577448|0.180547|0.143035|0.120444|0.112467|0.100594|0.060442|0.048505|0.045405|0.066382|0.077340|0.045169|0.053485|0.045698|0.047481|0.055407|0.049724|0.046841|0.047739|0.047038|0.041855|0.042295|0.039800|0.084545|0.071965|0.076113|0.083535|0.085171|0.114478|0.089309|0.105941|0.097180|0.124570|0.085474|0.080632|0.212476|0.140038|0.141072|0.121889|0.500000| |3.672169|3.199269|3.550367|2.412302|2.080015|1.913150|0.048449|2.739592|2.315641|4.198959|1.846119|1.634017|1.561372|1.652646|1.877091|2.007053|1.535299|1.519604|1.565585|1.898290|3.462413|3.000008|1.545569|1.396270|2.595287|4.051973|0.095585|2.661417|2.916087|3.248224|5.617130|3.774611|3.029358|5.529501|8.895510|8.856377|6.892108|17.567365|0.125331|0.101501|0.090119|0.094903|0.085184|0.052317|0.042746|0.039888|0.054608|0.062682|0.039455|0.045428|0.039695|0.041063|0.047100|0.043129|0.040760|0.043105|0.043122|0.038381|0.038327|0.036601|0.075725|0.064446|0.066198|0.069202|0.070992|0.088040|0.079977|0.090373|0.095386|0.120558|0.080158|0.073943|0.216775|0.168760|0.208568|0.140894|0.301176|0.500000| |3.522208|2.962760|3.412000|2.365548|2.070783|1.906933|0.048072|2.680443|2.229444|3.981573|1.884592|1.674542|1.622443|1.743020|1.988060|2.086324|1.635766|1.617504|1.696785|1.909880|3.511970|3.014146|1.561467|1.406126|2.528667|4.083750|0.095772|2.824284|3.289887|3.752527|6.260152|3.796983|3.018461|6.881463|12.953502|8.792223|6.861855|17.616978|0.114334|0.103636|0.087715|0.086225|0.076547|0.051198|0.043419|0.041398|0.058803|0.065043|0.041753|0.048707|0.042395|0.043185|0.051677|0.046674|0.044246|0.044097|0.043284|0.038275|0.038797|0.036952|0.071254|0.063348|0.069833|0.072991|0.080781|0.101336|0.089523|0.110735|0.096615|0.112320|0.076848|0.075482|0.174125|0.204011|0.171705|0.139593|0.302711|0.300706|0.500000| 1600.603579 -12178.737873 4963.695590 -220.433252 -5834.871955 4232.426841 -1602.445114 2.001151 406200000000000E 44F2C1E327A3B484 4471B819A6DCC4F9 41E649DC7A000001 B7A16C2614EA0803 432A4C9A02D40F78