Version2.0 2020-02-02T10:31:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](CCCC(C)(C)O)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(nc3)N4CCOCC4 C39631940 RHF 6-31G(d) (6D,7F) C[C@@H](CCCC(C)(C)O)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(nc3)N4CCOCC4 C01[X(C27H44N5O4)] 234 C1 628 C[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(nc1)N1CCOCC1)CCCC(O)(C)C C[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(nc1)N1CCOCC1)CCCC(O)(C)C C[C@@H](CCCC(C)(C)O)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(nc3)N4CCOCC4 InChIKey=ZMTQHNKLCHFNNH-RBBKRZOGSA-O InChI=1S/C27H43N5O4/c1-20(5-4-8-26(2,3)35)30-24(33)22-18-32(19-27(22)9-11-28-12-10-27)25(34)21-6-7-23(29-17-21)31-13-15-36-16-14-31/h6-7,17,20,22,28,35H,4-5,8-16,18-19H2,1-3H3,(H,30,33)/p+1/t20-,22+/m0/s1 InChI=1/C27H43N5O4/c1-20(5-4-8-26(2,3)35)30-24(33)22-18-32(19-27(22)9-11-28-12-10-27)25(34)21-6-7-23(29-17-21)31-13-15-36-16-14-31/h6-7,17,20,22,28,35H,4-5,8-16,18-19H2,1-3H3,(H,30,33)/p+1/t20-,22+/m0/s1/fC27H44N5O4/h28,30H/q+1 C[C@@H](CCCC(C)(C)O)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(nc3)N4CCOCC4 C01[X(C27H44N5O4)] 234 C01 628 C[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(nc1)N1CCOCC1)CCCC(O)(C)C C[C@H](NC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccc(nc1)N1CCOCC1)CCCC(O)(C)C C[C@@H](CCCC(C)(C)O)NC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)c3ccc(nc3)N4CCOCC4 InChIKey=LDRISLICDNPSAO-RBBKRZOGSA-N InChI=1S/C27H44N5O4/c1-20(5-4-8-26(2,3)35)30-24(33)22-18-32(19-27(22)9-11-28-12-10-27)25(34)21-6-7-23(29-17-21)31-13-15-36-16-14-31/h6-7,17,20,22,35H,4-5,8-16,18-19,28H2,1-3H3,(H,30,33)/t20-,22+/m0/s1 InChI=1/C27H44N5O4/c1-20(5-4-8-26(2,3)35)30-24(33)22-18-32(19-27(22)9-11-28-12-10-27)25(34)21-6-7-23(29-17-21)31-13-15-36-16-14-31/h6-7,17,20,22,35H,4-5,8-16,18-19,28H2,1-3H3,(H,30,33)/t20-,22+/m0/s1/f/h30H 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2.9797 2.2382 3.1158 2.3836 2.2869 3.5166 3.1625 3.4067 2.9440 2.7995 2.8668 2.8259 1.5916 4.0747 2.0046 2.9481 2.3170 3.1308 3.2595 2.4021 3.5160 6.6858 2.9028 3.8172 3.8620 1.9024 1.8423 3.6217 3.8868 5.3704 3.9949 2.0542 2.5647 6.1814 1.6620 1.9306 2.2680 1.5861 2.0652 3.4851 1.6231 2.0116 2.6787 1.7181 2.3306 1.8821 2.5522 2.0711 2.0716 2.7121 2.7526 1.6576 1.7965 2.1974 2.7150 1.4828 1.3252 2.4089 2.3941 1.6324 1.9032 1.9019 2.3220 2.6480 2.4294 2.3486 1.8205 2.8669 1.7025 2.1246 1.8771 1.9715 2.1665 1.8138 1.9507 1.6172 1.3767 4.5461 3.3832 1.9646 2.1177 1.9638 2.0104 1.4610 1.8409 2.7287 2.1206 1.1504 1.9152 1.3953 1.3641 1.4499 1.3242 1.4019 1.2916 1.2402 1.1351 1.2608 1.3150 1.2174 1.3832 1.3589 1.3372 1.2948 1.2765 1.3860 1.4593 1.4217 1.4894 1.8536 1.5705 1.3726 1.7164 1.5894 1.5606 1.6038 1.4175 1.3333 1.5035 1.6511 2.1210 1.3067 1.6345 1.1004 1.0614 1.0768 1.0758 1.0681 1.0808 1.0924 1.0483 1.1159 1.0931 1.1141 1.1576 1.0962 1.1065 1.1023 1.1055 1.0892 1.0796 1.1338 1.1125 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0.01024 0.00189 0.00176 0.21328 0.03935 0.03667 18.72 20.96 38.53 49.70 63.31 70.59 79.82 88.95 99.72 112.24 141.31 154.07 165.32 169.86 179.74 213.87 220.84 227.92 250.24 267.08 291.25 305.20 333.63 337.64 353.27 366.93 373.46 382.18 392.51 400.06 428.38 449.53 454.52 473.28 494.63 506.71 557.02 558.56 566.63 593.39 616.57 623.33 643.03 653.05 669.39 677.84 683.91 703.58 712.05 727.06 728.36 749.65 771.93 787.61 805.93 834.06 838.44 859.95 866.55 952.94 973.08 1012.12 1017.92 1078.37 1123.81 1135.06 1189.49 1193.05 1205.42 1230.11 1237.97 1254.42 1268.05 1273.49 1324.56 1325.67 1350.98 1354.03 1372.42 1377.13 1379.81 1430.84 1447.70 1468.47 1471.48 1475.21 1479.11 1482.59 1501.68 1509.70 1513.80 1540.58 1571.76 1581.98 1591.49 1598.01 1603.90 1612.06 1613.46 1625.56 1627.02 1637.30 1654.15 1668.26 1683.47 1689.24 1702.40 1718.32 1732.01 1744.43 1787.00 1795.07 1806.20 1815.58 1835.07 1838.08 1851.99 1861.75 1872.48 1874.93 1887.97 1902.37 1909.31 1924.70 1931.39 1937.38 1960.47 1964.85 1985.79 2013.31 2015.33 2033.05 2048.77 2053.38 2085.79 2089.54 2098.21 2101.36 2105.06 2107.67 2109.59 2135.50 2137.99 2169.31 2169.70 2173.05 2178.39 2200.07 2203.41 2208.20 2223.66 2226.07 2230.14 2248.18 2253.86 2256.14 2258.22 2260.00 2261.79 2269.34 2270.91 2273.36 2288.22 2329.32 2340.46 2344.47 2348.08 2350.29 2355.61 2357.02 2360.13 2361.22 2363.36 2368.51 2369.30 2370.29 2372.23 2373.26 2382.23 2389.54 2392.58 2396.16 2398.03 2421.60 2466.12 2499.98 2596.89 2663.80 2740.82 2780.32 4578.40 4583.30 4588.90 4591.65 4604.44 4604.63 4612.96 4615.82 4624.06 4628.90 4632.05 4636.24 4642.21 4652.65 4660.29 4700.37 4704.19 4706.90 4707.95 4709.79 4710.75 4716.68 4724.68 4736.21 4736.69 4739.35 4745.71 4746.73 4748.23 4760.01 4763.03 4778.10 4791.16 4797.06 4818.69 4821.78 4841.14 4872.45 4883.05 4954.92 5040.92 5346.71 5565.00 5868.54 0.764933 0.798335 0.799279 0.697831 -1618.835812 -1618.802411 -1618.801466 -1618.902915 3.402616D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE C[C@@H](CCCC(C)(C)O)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(nc3)N4CCOCC4 C39631940 RHF 6-31G(d) (6D,10F) C1 502.339330 |X|Y|Z| 59.148753 40.610365 154.749888 71.901443 23 6 7 8 18 4 1 |36.858105| |12.478917|36.858105| |8.912701|17.640963|0.500000| |7.494205|12.383763|0.246594|36.858105| |4.871664|7.443921|0.186853|12.451310|36.858105| |3.721607|4.836129|0.126100|7.391637|12.434483|36.858105| |2.962965|3.710655|0.098778|4.847764|7.378108|12.345349|36.858105| |2.492378|2.969882|0.080651|3.733512|4.902494|7.541756|12.478256|36.858105| |2.815916|3.423367|0.087955|4.301352|5.867476|7.493920|12.490857|7.615403|36.858105| |2.851085|3.643587|0.100866|4.372885|6.728655|7.778299|13.208363|7.902558|8.080857|73.516695| |7.732966|13.032661|0.260216|7.732592|6.592207|4.345912|3.639145|2.851895|3.542548|6.614126|53.358707| |5.455502|7.674319|0.211291|5.369473|5.308214|3.736187|3.329671|2.655728|3.215537|6.438415|19.238615|36.858105| |4.985291|6.696110|0.222481|4.764124|4.738691|3.463669|3.090215|2.534111|2.880052|6.095868|11.521441|15.823480|73.516695| |4.005154|4.984012|0.132386|4.084610|4.291599|3.270073|3.114223|2.501622|3.167243|6.116452|10.667329|12.515220|14.268393|36.858105| |4.028537|4.821427|0.120393|4.086154|4.191787|3.251958|3.100357|2.484102|3.282121|5.873228|10.405810|8.880557|10.480864|17.548951|0.500000| |3.372517|3.844253|0.105974|3.164582|3.226241|2.601591|2.504506|2.096544|2.536537|4.893413|7.121745|7.442446|11.488956|12.388116|0.248421|36.858105| |2.740247|3.104384|0.085300|2.718504|2.866565|2.402119|2.398966|2.029390|2.477405|4.744542|5.451595|5.126817|8.196367|8.100493|0.194031|13.056005|53.358707| |2.668084|3.142895|0.087599|2.841661|3.150130|2.647910|2.718441|2.274084|2.787435|5.598152|5.441093|5.148025|8.403295|7.804890|0.175874|8.260341|17.909172|36.858105| |3.217763|4.037559|0.110811|3.660613|4.233431|3.366800|3.422360|2.725733|3.494819|7.172772|7.459427|7.322565|10.759290|12.096148|0.244612|7.749333|10.723981|12.214398|36.858105| |3.168919|4.120729|0.120291|3.839504|4.730544|3.750546|3.844704|3.049652|3.639519|8.745449|6.916710|6.656978|11.545847|7.276404|0.155185|5.449937|7.112247|7.468313|12.354051|36.858105| |2.583266|3.217728|0.092880|3.183523|3.989117|3.489893|3.878708|3.180817|3.686667|9.400865|5.055244|4.366914|7.663963|4.802633|0.114745|4.016588|5.755372|6.088945|7.487073|12.507827|36.858105| |2.507140|3.101660|0.086095|3.226792|4.174109|3.837281|4.634588|3.687415|4.708456|11.523728|4.855294|3.898853|6.453466|4.345765|0.112408|3.525194|5.109459|5.070523|6.441842|7.731845|12.704746|53.358707| |2.226168|2.688600|0.074925|2.820325|3.564293|3.443765|4.266088|3.608990|4.339239|10.360396|4.093000|3.238337|5.470668|3.554935|0.093307|3.023242|4.437609|4.259922|4.905289|5.697163|9.199714|25.710807|0.500000| |2.691290|3.401422|0.093829|3.691599|5.098416|4.783656|6.155009|4.550479|6.016397|17.454666|5.202442|4.010172|6.589791|4.216959|0.110619|3.321291|4.602819|4.313022|5.746832|7.104938|9.212703|25.395706|0.327774|0.500000| |2.508248|3.037193|0.081681|3.100428|3.811520|3.439007|3.986463|3.186627|4.471529|8.618500|4.967757|3.959019|6.224073|4.846739|0.133039|3.899874|5.956902|5.915135|7.396044|6.504863|7.655251|17.272658|0.256046|0.251944|36.858105| |3.010068|3.719230|0.097533|3.642071|4.354904|3.621682|3.875404|3.010780|4.301922|7.947423|6.630211|5.405490|7.809640|7.511337|0.215172|5.248249|7.698956|7.397594|12.337305|7.598463|6.521466|10.422149|0.157567|0.191498|12.501404|36.858105| |2.502136|2.754777|0.073928|2.472282|2.579711|2.215225|2.231295|1.906076|2.367399|4.311208|4.742245|4.087023|6.404046|5.969373|0.171215|7.678057|18.636021|7.859349|5.771909|4.032122|3.506880|4.549057|0.082606|0.084231|4.089337|5.133005|36.858105| |2.322272|2.573059|0.068565|2.385862|2.538170|2.223619|2.291117|1.960022|2.485808|4.426110|4.357264|3.615700|5.649188|5.083259|0.151508|5.536545|11.463949|7.088864|5.482287|3.880821|3.567705|4.861258|0.089243|0.088590|4.644422|5.576091|15.807830|73.516695| |2.403858|2.543192|0.068036|2.258208|2.282840|1.977017|1.959599|1.699112|2.068387|3.707931|4.266150|3.557063|5.680703|4.704211|0.138061|6.246614|10.598821|5.057769|4.170363|3.187217|2.791390|3.634932|0.067257|0.069085|3.132652|3.792663|12.906083|14.428137|36.858105| |2.348235|2.440869|0.066421|2.132420|2.125583|1.840912|1.804260|1.580055|1.868059|3.414833|3.997698|3.372224|5.614816|4.174076|0.115870|5.897909|8.784239|4.359274|3.626582|2.933820|2.557075|3.246201|0.060502|0.062195|2.681891|3.170006|7.480775|9.417140|13.619120|36.858105| |2.166588|2.192800|0.059492|1.929304|1.896363|1.663711|1.623061|1.437782|1.680409|3.031983|3.489254|2.839726|4.775876|3.320091|0.093869|4.289893|6.018149|3.322304|2.904715|2.439402|2.163256|2.782927|0.052476|0.053941|2.271448|2.626325|5.034784|7.178726|7.933335|13.929454|36.858105| |2.056492|2.062472|0.055182|1.845102|1.808690|1.604271|1.570193|1.395900|1.646341|2.899202|3.258813|2.568622|4.247095|2.986315|0.087527|3.599400|5.102147|2.941066|2.645011|2.219837|1.997028|2.630799|0.049879|0.051256|2.172714|2.494755|4.504437|6.889023|6.908243|7.954477|13.460062|36.858105| |2.086509|2.115649|0.055953|1.917202|1.895136|1.685393|1.662751|1.470719|1.769898|3.061320|3.384707|2.638911|4.268058|3.149639|0.095332|3.666865|5.383276|3.122258|2.824106|2.317733|2.097738|2.815229|0.053291|0.054704|2.380814|2.750001|5.139492|8.208472|7.971290|6.924565|7.982943|14.298919|53.358707| |2.238757|2.324663|0.061339|2.105425|2.111884|1.860515|1.848825|1.616015|1.980868|3.437080|3.819482|3.031230|4.813102|3.816968|0.117404|4.497488|7.034180|3.901571|3.442951|2.711090|2.435569|3.274823|0.061366|0.062947|2.842505|3.360469|7.714087|11.988043|13.726247|8.060110|7.050479|8.332871|19.760036|36.858105| |1.884573|1.860597|0.049834|1.677290|1.631743|1.462849|1.427767|1.281866|1.493062|2.615137|2.872243|2.223518|3.717071|2.498835|0.072959|2.908746|4.033652|2.431887|2.234698|1.924863|1.749686|2.315929|0.044259|0.045461|1.887625|2.131273|3.409162|5.432883|4.625645|5.205564|7.813412|13.977749|11.297968|5.434164|53.358707| |1.721631|1.700419|0.045327|1.559460|1.522820|1.382185|1.357457|1.226314|1.430860|2.470240|2.600945|1.982670|3.301421|2.218229|0.065418|2.492223|3.505571|2.180327|2.024786|1.755190|1.619524|2.174835|0.041867|0.042771|1.779450|1.980026|2.990880|4.987083|3.831393|3.950949|5.087253|7.805527|9.559018|4.743234|17.706010|36.858105| |1.634152|1.591017|0.042411|1.463779|1.416364|1.293256|1.262862|1.148452|1.325737|2.281147|2.392600|1.800423|3.017642|1.965485|0.057761|2.169193|2.981946|1.892223|1.790137|1.578276|1.458609|1.961457|0.037871|0.038884|1.585495|1.754051|2.463311|4.130761|3.016135|3.141646|3.903336|5.166798|6.359757|3.537696|10.599346|12.553201|36.858105| |1.557918|1.513638|0.040703|1.387452|1.341518|1.225559|1.194488|1.090709|1.242966|2.164934|2.257140|1.709954|2.904524|1.846459|0.053437|2.056138|2.809838|1.790382|1.685904|1.504443|1.391713|1.854713|0.035890|0.036759|1.482583|1.631161|2.270459|3.771990|2.750878|2.974993|3.743262|4.566823|5.286260|3.072717|9.229086|7.915327|13.622236|73.516695| |1.675972|1.621814|0.043795|1.467845|1.412481|1.279653|1.240033|1.128015|1.282018|2.255688|2.423828|1.851150|3.162430|1.990548|0.057145|2.256739|3.036708|1.909080|1.792810|1.599749|1.464865|1.932738|0.037224|0.038307|1.537885|1.706795|2.419407|3.929447|2.976402|3.365434|4.423436|5.142522|5.493533|3.216640|10.607472|6.761014|8.254980|24.309417|36.858105| |1.776553|1.743093|0.047205|1.566739|1.519576|1.366138|1.328929|1.201182|1.374644|2.438567|2.647933|2.058736|3.511872|2.260477|0.064586|2.641450|3.606884|2.210700|2.031684|1.788899|1.630308|2.135741|0.040983|0.042007|1.710935|1.911384|2.913441|4.631571|3.753860|4.471862|6.582415|7.744566|7.110754|4.017262|17.799113|7.785195|6.745418|14.028554|12.511089|36.858105| |17.560953|8.811770|0.211462|6.882619|4.504819|3.639382|2.855832|2.463948|2.660861|4.819823|7.618642|4.334837|7.441669|3.317165|0.091740|2.866278|3.257450|2.358324|2.794077|2.826611|2.368219|3.134316|0.057543|0.068989|2.267781|2.639475|2.197190|3.660278|2.117407|2.082391|1.941810|1.849562|2.543259|1.986159|2.333617|1.577562|1.510051|2.573862|1.552183|1.631134|0.500000| |17.581512|8.818905|0.215699|5.470850|4.044120|3.159561|2.618588|2.231642|2.504742|4.594009|9.536925|5.571653|9.420824|4.087523|0.112040|3.611736|3.889260|2.713948|3.187973|3.101897|2.508945|3.249507|0.059042|0.069880|2.401901|2.890681|2.588049|4.187745|2.530755|2.525296|2.339299|2.192194|2.980588|2.332813|2.733502|1.810337|1.719784|2.932414|1.794834|1.907358|0.301154|0.500000| |17.532759|8.778605|0.173631|6.742831|4.527900|3.586558|2.898258|2.440079|2.849590|4.858055|9.456969|4.845232|7.496929|3.843508|0.112942|3.236922|3.644631|2.579542|3.091740|2.947664|2.444511|3.304944|0.060099|0.072266|2.484485|2.996018|2.510245|4.178736|2.434158|2.346059|2.182940|2.108719|2.943760|2.311726|2.639323|1.785279|1.699655|2.854368|1.716951|1.809401|0.301563|0.300866|0.500000| |6.834587|8.907594|0.218205|17.531531|8.808465|6.886970|4.454532|3.664584|3.804626|7.055341|7.672677|4.344412|7.331808|3.386588|0.092868|2.753009|3.256054|2.494887|3.097938|3.320821|2.841761|3.880505|0.070762|0.089987|2.693893|3.051864|2.183539|3.747354|2.019199|1.932042|1.767708|1.690908|2.371733|1.890953|2.113431|1.447736|1.369660|2.321734|1.381084|1.463895|0.205500|0.141068|0.164926|0.500000| |7.008629|8.801452|0.173949|17.490389|8.848927|6.636576|4.597948|3.593453|4.410348|7.040875|9.200506|4.672833|7.138422|3.815162|0.111411|2.990035|3.547397|2.683007|3.399593|3.400744|2.890408|4.105970|0.073940|0.095028|2.999446|3.531655|2.433330|4.215958|2.244153|2.098023|1.914332|1.857460|2.650727|2.130638|2.307533|1.588539|1.495703|2.503110|1.481354|1.572442|0.176875|0.141545|0.206435|0.304145|0.500000| |4.553354|6.734567|0.162124|8.927900|17.601538|8.864244|7.136604|4.580504|6.664305|12.266875|9.981826|5.929452|8.697663|5.105192|0.142565|3.624693|4.425331|3.619164|5.141963|5.434844|4.477924|6.670419|0.111852|0.168070|4.669519|5.642673|2.936503|5.191578|2.543565|2.319117|2.044372|1.955746|2.824436|2.348737|2.376881|1.630059|1.502755|2.513438|1.485634|1.609030|0.111879|0.108101|0.122483|0.174239|0.217444|0.500000| |4.567622|7.044202|0.207380|8.884288|17.540941|8.868886|6.432157|4.581929|4.906220|12.395507|8.558484|5.662307|9.703009|4.411282|0.113071|3.355809|4.033032|3.321556|4.472193|5.493788|4.510612|6.014915|0.104136|0.148912|3.822522|4.290333|2.596129|4.492877|2.282765|2.151261|1.906956|1.795219|2.536483|2.078449|2.199444|1.498439|1.390882|2.357261|1.402522|1.515750|0.118604|0.110044|0.112654|0.206647|0.174145|0.305201|0.500000| |3.530057|4.454967|0.122402|6.441386|8.866894|17.518604|8.808754|7.332570|5.519275|11.766076|5.220790|3.387893|5.818667|2.924472|0.079369|2.394773|3.003625|2.422411|2.997762|3.418052|3.218053|4.636419|0.086786|0.114778|2.996931|3.108515|2.024704|3.587049|1.824309|1.721239|1.564646|1.502743|2.129710|1.713169|1.875885|1.300943|1.223081|2.072827|1.219432|1.297663|0.099452|0.084071|0.092257|0.191941|0.153750|0.175207|0.222856|0.500000| |3.709999|4.540563|0.113609|7.077474|8.797612|17.532888|8.902526|6.628329|7.192232|10.117003|5.506438|3.382834|5.497349|3.005538|0.085299|2.425013|3.052802|2.421192|3.015880|3.209920|2.990145|4.505555|0.083718|0.110581|3.104988|3.298545|2.106951|3.772117|1.905575|1.771147|1.615881|1.573564|2.257446|1.818249|1.964593|1.371875|1.290198|2.166498|1.267749|1.344880|0.101938|0.086231|0.102997|0.187853|0.204722|0.200028|0.174484|0.305132|0.500000| |2.455043|2.852216|0.076309|3.633139|4.473600|6.904433|8.808968|17.572143|6.813171|10.082823|3.675147|2.468977|4.165386|2.320395|0.064855|1.960071|2.571916|2.079935|2.467046|2.685215|2.741213|4.266197|0.084944|0.103972|2.825687|2.727379|1.793669|3.275440|1.617796|1.506576|1.381698|1.349867|1.936631|1.552872|1.696617|1.197415|1.127133|1.900690|1.103010|1.168003|0.068123|0.060647|0.067629|0.100886|0.100405|0.115397|0.112100|0.188043|0.196465|0.500000| |2.228185|2.621035|0.071385|3.164060|4.044546|5.481360|8.802380|17.571895|7.036302|12.676348|3.514321|2.453224|4.164907|2.371289|0.065492|2.011651|2.697821|2.237834|2.635629|2.928916|3.172610|5.148794|0.106914|0.127552|3.252730|2.952227|1.874860|3.464722|1.664676|1.542228|1.403084|1.365412|1.964202|1.587854|1.706652|1.204295|1.125380|1.899122|1.101008|1.173861|0.060767|0.056225|0.060908|0.085243|0.085438|0.110109|0.107337|0.145354|0.138355|0.300861|0.500000| |2.457294|2.924467|0.081452|3.624741|4.671125|6.845353|8.790138|17.533398|5.516369|12.660443|3.744523|2.592570|4.501609|2.401511|0.065214|2.035510|2.664806|2.192478|2.603474|2.985423|3.110402|4.690579|0.094029|0.115935|2.918019|2.776975|1.820912|3.296751|1.630538|1.531917|1.396061|1.347512|1.917553|1.541698|1.687946|1.182305|1.109775|1.883163|1.098813|1.169352|0.068363|0.061429|0.065735|0.102120|0.093990|0.116146|0.128402|0.217972|0.159966|0.302294|0.300762|0.500000| |3.099965|3.839591|0.096239|4.733774|6.470297|6.863900|8.757017|5.505283|17.564129|12.762185|5.682852|3.736396|5.734106|3.756351|0.110796|2.903289|3.843624|3.177507|4.138114|4.121812|4.006883|7.040553|0.125423|0.181328|5.271265|5.408382|2.702894|5.060775|2.331723|2.077518|1.852004|1.814792|2.676078|2.226823|2.220330|1.557239|1.433705|2.377995|1.382451|1.490156|0.079278|0.076499|0.088022|0.110342|0.137013|0.236013|0.145536|0.138613|0.182396|0.139875|0.142100|0.122856|0.500000| |2.456443|2.929784|0.076726|3.497623|4.565667|5.471354|8.838630|6.951972|17.557988|13.176210|4.189767|2.895601|4.672966|2.937961|0.084044|2.407350|3.281300|2.747541|3.347323|3.484994|3.730954|6.816637|0.135156|0.173886|4.729191|4.183739|2.322593|4.405628|2.016871|1.815112|1.632192|1.602048|2.351226|1.936684|1.977888|1.399089|1.292687|2.155161|1.245528|1.337780|0.064620|0.061890|0.068847|0.087656|0.098398|0.142691|0.113609|0.123576|0.143860|0.167373|0.211886|0.142395|0.300419|0.500000| |2.742383|3.221173|0.081687|4.103083|5.115472|6.747544|8.829733|6.958410|17.587185|10.215681|4.428039|2.893190|4.618623|2.827677|0.082564|2.309019|3.053963|2.462049|3.007446|3.065765|3.056212|5.075649|0.097291|0.124629|3.662506|3.618496|2.174163|4.047027|1.935566|1.755029|1.596915|1.577743|2.309036|1.878545|1.963315|1.390792|1.297405|2.158878|1.248062|1.328453|0.072850|0.067280|0.078470|0.103183|0.122506|0.153225|0.116876|0.143399|0.211819|0.204060|0.175404|0.140804|0.302259|0.301782|0.500000| |2.787013|3.544068|0.101421|4.195096|6.202792|7.153711|9.683419|7.533261|5.960435|35.663414|4.770091|3.459979|6.043438|3.203921|0.083901|2.621452|3.431470|2.957864|3.694820|4.678518|5.034191|7.547781|0.143133|0.208703|4.126729|3.860455|2.269069|4.092045|1.970518|1.839682|1.639590|1.559142|2.220675|1.818796|1.921935|1.330404|1.232951|2.091580|1.228983|1.326435|0.074753|0.070561|0.072979|0.109975|0.102726|0.161656|0.196046|0.194210|0.144223|0.149807|0.184321|0.222008|0.148987|0.154736|0.130378|0.500000| |6.765479|9.007666|0.180807|6.935512|6.024607|4.214899|3.611629|2.821617|3.705781|6.384411|26.051385|9.429422|10.870047|7.517868|0.245447|5.025898|5.443713|3.918500|5.311829|4.577215|3.499214|4.780379|0.082559|0.104178|3.763499|5.170269|3.641746|6.045256|3.286161|2.993840|2.624231|2.501300|3.605641|3.009712|2.992324|2.006462|1.840461|3.051541|1.830696|1.996337|0.139120|0.167511|0.196242|0.140674|0.194652|0.200873|0.148139|0.100573|0.113224|0.075095|0.071481|0.074087|0.125171|0.089010|0.095815|0.091715|0.500000| |3.435464|3.710990|0.100114|3.021358|2.967575|2.420325|2.302619|1.947917|2.350841|4.385624|6.744440|6.342782|9.734434|8.708767|0.222605|17.672807|12.256094|5.833319|5.611814|4.234353|3.295073|4.084432|0.072863|0.079859|3.334896|4.372601|7.196488|9.108552|7.116166|7.089868|5.138660|4.229477|5.751339|5.101012|4.558417|2.794063|2.420507|4.060126|2.541492|3.004481|0.080479|0.104695|0.093334|0.073507|0.080893|0.091494|0.083964|0.062060|0.063802|0.051214|0.051809|0.052457|0.074451|0.061728|0.060485|0.065324|0.136779|0.500000| |3.300580|3.760577|0.108540|3.058801|3.113639|2.519104|2.410577|2.041143|2.380944|4.759269|6.580577|7.097644|13.046116|8.789554|0.175283|17.605793|12.406080|7.171319|6.590228|5.458982|4.001484|4.563420|0.080768|0.088001|3.515515|4.431941|5.736183|7.865787|4.988214|5.190083|3.941611|3.239652|4.340474|3.735093|3.657729|2.297906|2.027737|3.475770|2.162130|2.517582|0.079161|0.099851|0.085507|0.075374|0.078576|0.094178|0.092634|0.065588|0.064626|0.052821|0.054295|0.055794|0.074258|0.062872|0.060201|0.072225|0.122168|0.301394|0.500000| |2.375594|2.757294|0.076101|2.572027|2.874326|2.495746|2.628916|2.226133|2.752934|5.401142|4.635003|4.102055|6.701987|5.749411|0.144876|5.873575|12.477453|17.689663|8.548646|5.999981|5.778567|7.099734|0.126157|0.118584|6.582643|7.181415|7.607851|14.714903|4.827131|4.018945|3.134542|2.849387|4.204580|3.889418|3.222237|2.160708|1.865046|3.121936|1.849419|2.137493|0.059027|0.066456|0.064631|0.063243|0.068465|0.091786|0.082907|0.063314|0.063881|0.056584|0.061794|0.059166|0.086605|0.077112|0.067588|0.078573|0.094997|0.129378|0.143567|0.500000| |2.546772|2.991369|0.085870|2.692714|2.981871|2.526346|2.584549|2.196743|2.576732|5.393113|4.985365|4.774513|8.481860|6.296963|0.138513|7.080533|12.608112|17.548681|8.747891|7.505525|6.313811|6.450320|0.113759|0.112407|4.950778|5.577806|5.897535|9.359588|4.306026|4.009741|3.119550|2.712909|3.807598|3.365979|3.102099|2.035808|1.783427|3.039870|1.832864|2.117589|0.063338|0.072546|0.067291|0.066828|0.069555|0.092219|0.089697|0.065421|0.063647|0.055574|0.060061|0.059728|0.079679|0.070725|0.063367|0.081124|0.096567|0.142676|0.204099|0.301646|0.500000| |3.111291|3.955709|0.120688|3.539726|4.128734|3.313281|3.300016|2.719277|3.069752|7.264938|6.417445|6.492247|13.090254|6.584389|0.136406|5.614137|7.041012|6.957247|8.751011|17.625572|8.936918|7.635230|0.127005|0.145161|4.857562|5.505161|3.850340|6.349014|3.130807|2.989368|2.483522|2.217204|3.089521|2.622367|2.622726|1.739953|1.568347|2.682229|1.617046|1.813710|0.077675|0.086757|0.078894|0.087368|0.086256|0.124115|0.136111|0.086723|0.079641|0.067246|0.072369|0.075519|0.094086|0.081726|0.073776|0.112986|0.114408|0.119921|0.173193|0.149961|0.226990|0.500000| |3.605253|4.995305|0.147188|4.785485|6.376868|4.688455|4.639094|3.512925|4.181861|10.765615|8.170725|7.349686|12.525932|6.714767|0.150707|4.756848|5.862557|5.456121|8.759588|17.601559|8.982777|9.639355|0.147023|0.213478|5.765800|6.809198|3.498224|6.012325|2.875944|2.664229|2.263885|2.084843|2.960816|2.507177|2.489310|1.676032|1.522565|2.578004|1.540019|1.702955|0.089311|0.095269|0.091795|0.112367|0.113005|0.203357|0.221783|0.116981|0.107099|0.085024|0.091026|0.095812|0.132019|0.106979|0.096386|0.159948|0.144501|0.108151|0.131580|0.128182|0.148107|0.305877|0.500000| |2.326579|2.807439|0.080730|2.734514|3.277546|2.920806|3.218315|2.737057|3.145695|7.348282|4.414894|3.836561|6.784447|4.405330|0.106212|3.972031|6.070667|6.725933|6.740586|8.712705|17.613433|12.412613|0.223530|0.180584|7.029585|5.803549|3.699552|6.762376|2.902951|2.659085|2.232846|2.050064|2.928632|2.509858|2.434190|1.654615|1.480313|2.516104|1.488204|1.667936|0.059372|0.063658|0.061594|0.068557|0.070128|0.101191|0.100405|0.075596|0.071394|0.066726|0.076888|0.074390|0.094408|0.089892|0.074324|0.110267|0.086052|0.090390|0.110446|0.190314|0.205693|0.209273|0.173626|0.500000| |2.483435|3.083014|0.090964|3.100332|3.912372|3.531660|3.945516|3.335112|3.551967|9.911482|4.618639|3.891803|7.125146|3.990003|0.096480|3.426126|4.759818|4.647735|5.458095|8.790650|17.624243|12.389017|0.223958|0.224706|5.603397|4.879639|2.951026|5.284139|2.436012|2.277983|1.960903|1.812685|2.566567|2.150734|2.187899|1.491844|1.355709|2.312578|1.369162|1.512404|0.064359|0.066768|0.064626|0.078771|0.077153|0.115874|0.127074|0.093322|0.082754|0.078588|0.092451|0.093280|0.102901|0.099942|0.082245|0.158602|0.087515|0.080134|0.097465|0.122587|0.138934|0.213636|0.216601|0.301461|0.500000| |2.262301|2.673491|0.072733|2.673438|3.169379|2.889754|3.283999|2.747310|3.600480|6.967843|4.330008|3.523469|5.684766|4.389892|0.118985|3.817724|6.225558|6.375447|6.563038|5.676465|6.980737|12.438950|0.226256|0.179569|17.626901|8.764548|4.352762|9.140249|3.264648|2.779052|2.337695|2.228943|3.329831|2.942007|2.623182|1.818741|1.607537|2.676845|1.558741|1.746690|0.057107|0.061097|0.062181|0.065661|0.071928|0.103673|0.089487|0.071753|0.073372|0.068430|0.078632|0.071034|0.113242|0.106710|0.085020|0.096701|0.090478|0.090623|0.096250|0.225966|0.148697|0.126383|0.132630|0.211438|0.143925|0.500000| |2.387473|2.846145|0.075406|2.995679|3.671919|3.469624|4.172115|3.361842|5.065766|8.572381|4.540595|3.449333|5.413699|4.056869|0.116466|3.317042|4.961009|4.521469|5.428101|4.907194|5.602916|12.372359|0.222830|0.221675|17.627046|8.786895|3.568381|7.310642|2.842117|2.432938|2.102771|2.047956|3.078941|2.667012|2.448260|1.718056|1.539556|2.547488|1.474665|1.625923|0.060445|0.062839|0.066641|0.072696|0.082421|0.124608|0.098797|0.082970|0.088898|0.083469|0.097238|0.083207|0.166085|0.157145|0.114782|0.111179|0.097685|0.081669|0.083156|0.138926|0.107836|0.107590|0.130151|0.143853|0.126719|0.301784|0.500000| |3.395345|4.330729|0.109553|4.418699|5.479368|4.398330|4.630800|3.411676|5.304773|9.125423|7.812465|5.777233|8.019877|7.060995|0.215701|4.677441|6.263786|5.450241|8.814616|6.753600|5.628714|9.283930|0.143162|0.199090|8.924805|17.538310|4.244773|7.931479|3.365374|2.876078|2.441972|2.343930|3.499485|3.064849|2.764897|1.896031|1.701241|2.809531|1.652293|1.827521|0.082044|0.087957|0.094818|0.099191|0.120553|0.218472|0.141556|0.100563|0.111233|0.086113|0.090848|0.085860|0.202734|0.135233|0.121527|0.119002|0.176158|0.112942|0.111783|0.142457|0.123850|0.138842|0.197431|0.132187|0.125963|0.173726|0.218495|0.500000| |2.834864|3.352944|0.086751|3.244307|3.673133|3.134808|3.310038|2.659062|3.766986|6.469520|5.948508|4.731623|6.841910|6.824549|0.221737|5.249920|8.196947|6.987473|8.787263|5.521698|4.922918|7.626338|0.127467|0.141237|9.017236|17.597719|6.158343|12.967468|4.390918|3.476247|2.861801|2.767151|4.277203|3.968470|3.174795|2.178119|1.904789|3.112881|1.822249|2.053099|0.068922|0.076453|0.080043|0.076367|0.089938|0.127811|0.098584|0.075518|0.081890|0.068347|0.072899|0.068032|0.129627|0.102785|0.091659|0.088788|0.134268|0.126814|0.117965|0.202613|0.141239|0.123174|0.138810|0.131186|0.108007|0.216973|0.211549|0.302550|0.500000| |2.386094|2.506630|0.069463|2.167971|2.171494|1.869655|1.828916|1.601929|1.867424|3.500328|4.090110|3.566251|6.131997|4.360850|0.114400|6.623475|9.621219|4.726819|3.813462|3.146984|2.712466|3.347959|0.062263|0.063891|2.707460|3.181067|6.812495|8.604963|8.852875|17.725599|9.022241|5.650905|6.778533|5.684785|5.709479|3.292250|2.730088|4.713613|3.016042|3.883953|0.058927|0.071808|0.065048|0.054760|0.058402|0.065346|0.061967|0.048859|0.049515|0.042204|0.043369|0.043430|0.057428|0.050380|0.048435|0.052780|0.082933|0.208924|0.175464|0.116690|0.126585|0.091651|0.078335|0.078867|0.067327|0.078091|0.067237|0.079736|0.093908|0.500000| |2.077215|2.084412|0.057151|1.828886|1.789208|1.575083|1.530522|1.365056|1.569275|2.859533|3.255087|2.649701|4.561926|2.995089|0.082959|3.833882|5.221821|2.990451|2.636933|2.278378|2.027566|2.584998|0.048983|0.050290|2.071194|2.363093|4.096383|5.994856|5.658690|9.031411|17.819384|8.748772|7.721755|5.052948|9.509051|4.602787|3.753273|6.786635|4.756632|7.317291|0.052168|0.062806|0.057642|0.046984|0.050133|0.052976|0.050288|0.041471|0.042451|0.036466|0.036961|0.037028|0.047663|0.042320|0.041500|0.043265|0.067046|0.124896|0.102627|0.077939|0.080248|0.065352|0.059007|0.058106|0.051648|0.059096|0.053298|0.061502|0.070125|0.218985|0.500000| |2.196247|2.299397|0.060149|2.123053|2.150698|1.911333|1.919241|1.674426|2.091510|3.550883|3.777157|2.941563|4.613176|3.719124|0.117670|4.093245|6.491308|3.835056|3.465592|2.709964|2.472993|3.411868|0.064095|0.065521|3.037333|3.568232|7.165934|13.265390|8.932902|5.690555|5.045041|5.885223|12.781420|17.725149|5.997066|4.182640|3.230393|4.933975|2.825940|3.369904|0.054242|0.062551|0.063542|0.052753|0.060237|0.067105|0.058218|0.048527|0.052117|0.044755|0.045907|0.044027|0.065668|0.057115|0.055182|0.051740|0.084034|0.123354|0.094218|0.109818|0.090212|0.071331|0.069928|0.070601|0.060349|0.087397|0.080510|0.090266|0.121394|0.124282|0.109250|0.500000| |1.598320|1.592167|0.042682|1.469289|1.447182|1.320713|1.306024|1.184944|1.375626|2.386738|2.427585|1.862119|3.121887|2.088826|0.061020|2.348642|3.370000|2.119065|1.943123|1.694261|1.580382|2.120827|0.041069|0.041506|1.732845|1.902083|2.876682|4.863026|3.612635|3.720727|4.666886|6.569290|8.259974|4.381799|12.367543|17.499016|8.895003|12.481116|5.806613|6.831677|0.040873|0.046500|0.045771|0.037986|0.041418|0.042995|0.039705|0.034601|0.036313|0.032079|0.032459|0.031765|0.041418|0.037585|0.037068|0.035754|0.051746|0.071778|0.060622|0.058976|0.055295|0.046721|0.044707|0.045180|0.040491|0.049642|0.046480|0.050237|0.058011|0.087540|0.119516|0.109164|0.500000| 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