Version2.0 2020-01-08T10:12:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-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]1C[C@@H](C[NH+](C1)CCCN2C(=O)c3cc4c(n3C[C@@]2(C)C(=O)NC5CCCCCCC5)ccs4)C C21161384 RHF 6-31G(d) (6D,7F) C[C@H]1C[C@@H](C[NH+](C1)CCCN2C(=O)c3cc4c(n3C[C@@]2(C)C(=O)NC5CCCCCCC5)ccs4)C C01[X(C29H45N4O2S1)] 237 C1 634 C[C@@H]1C[NH+](CCCN2C(=O)c3cc4c(n3C[C@@]2(C)C(=O)NC2CCCCCCC2)ccs4)C[C@H](C1)C C[C@@H]1C[NH+](CCCN2C(=O)c3cc4c(n3C[C@@]2(C)C(=O)NC2CCCCCCC2)ccs4)C[C@H](C1)C C[C@H]1C[C@H](C)C[NH+](CCCN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC5CCCCCCC5)C1 InChIKey=SCWTYNCFUUQFSR-SYZUXVNWSA-O InChI=1S/C29H44N4O2S/c1-21-16-22(2)19-31(18-21)13-9-14-33-27(34)25-17-26-24(12-15-36-26)32(25)20-29(33,3)28(35)30-23-10-7-5-4-6-8-11-23/h12,15,17,21-23H,4-11,13-14,16,18-20H2,1-3H3,(H,30,35)/p+1/t21-,22-,29-/m0/s1 InChI=1/C29H44N4O2S/c1-21-16-22(2)19-31(18-21)13-9-14-33-27(34)25-17-26-24(12-15-36-26)32(25)20-29(33,3)28(35)30-23-10-7-5-4-6-8-11-23/h12,15,17,21-23H,4-11,13-14,16,18-20H2,1-3H3,(H,30,35)/p+1/t21-,22-,29-/m0/s1/fC29H45N4O2S/h30-31H/q+1 C[C@H]1C[C@@H](C[NH+](C1)CCCN2C(=O)c3cc4c(n3C[C@@]2(C)C(=O)NC5CCCCCCC5)ccs4)C C01[X(C29H45N4O2S1)] 237 C01 634 C[C@@H]1C[NH+](CCCN2C(=O)c3cc4c(n3C[C@@]2(C)C(=O)NC2CCCCCCC2)ccs4)C[C@H](C1)C C[C@@H]1C[NH](CCCN2C(=O)[C@H]3C[C@H]4[C@H](N3C[C@@]2(C)C(=O)NC2CCCCCCC2)C=CS4)C[C@H](C1)C C[C@H]1C[C@H](C)C[NH](CCCN2C(=O)[C@H]3C[C@@H]4SC=C[C@H]4N3C[C@@]2(C)C(=O)NC5CCCCCCC5)C1 InChIKey=BXSGOCBJPRCETI-BYTRQVAISA-N InChI=1S/C29H49N4O2S/c1-21-16-22(2)19-31(18-21)13-9-14-33-27(34)25-17-26-24(12-15-36-26)32(25)20-29(33,3)28(35)30-23-10-7-5-4-6-8-11-23/h12,15,21-26,31H,4-11,13-14,16-20H2,1-3H3,(H,30,35)/t21-,22-,24+,25+,26-,29-/m0/s1 InChI=1/C29H49N4O2S/c1-21-16-22(2)19-31(18-21)13-9-14-33-27(34)25-17-26-24(12-15-36-26)32(25)20-29(33,3)28(35)30-23-10-7-5-4-6-8-11-23/h12,15,21-26,31H,4-11,13-14,16-20H2,1-3H3,(H,30,35)/t21-,22-,24+,25+,26-,29-/m0/s1/f/h30H 4287.9036714451 -1889.2434803 1-A 25761.7650 139 495 634 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.03698 -20.62809 -20.60012 -15.83133 -15.70272 -15.69916 -15.66296 -11.45536 -11.42728 -11.42423 -11.41800 -11.41575 -11.39320 -11.38587 -11.37107 -11.36891 -11.36864 -11.36687 -11.34964 -11.34945 -11.34401 -11.34149 -11.33934 -11.33347 -11.32947 -11.32294 -11.32136 -11.32091 -11.31445 -11.28832 -11.28096 -11.27695 -11.27310 -11.26997 -11.26730 -11.26642 -9.04621 -6.72879 -6.72794 -6.72599 -1.49857 -1.47377 -1.47228 -1.41543 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17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 6 6 1 6 6 1 6 7 1 6 6 6 6 7 6 8 6 6 6 6 7 6 6 6 6 8 7 6 6 6 6 6 6 6 6 6 6 16 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 1.00783 14579.8630 33761.9414 41946.8599 0.99993 0.01213 0.00144 -0.01216 0.99978 0.01722 -0.00123 -0.01724 0.99985 1 0.00594 0.00257 0.00206 0.12378 0.05345 0.04302 17.13 21.23 22.56 24.55 27.80 63.07 69.64 82.08 96.94 110.55 122.31 165.78 172.94 201.02 207.72 217.13 234.56 255.69 267.82 290.80 313.31 326.20 330.38 356.59 366.01 373.83 388.77 404.96 414.15 426.60 438.53 446.46 449.76 480.98 492.50 503.18 520.25 563.92 570.15 572.79 586.12 596.94 620.94 650.45 657.06 684.89 687.62 701.03 723.01 746.65 754.98 758.84 760.28 792.11 804.94 841.82 852.35 920.58 949.95 980.16 998.69 1077.63 1088.80 1098.50 1120.12 1139.09 1187.63 1201.39 1204.24 1213.67 1222.78 1228.76 1233.01 1261.37 1284.24 1298.35 1298.95 1328.56 1335.49 1359.69 1382.28 1392.55 1402.82 1405.66 1420.99 1460.21 1471.05 1475.16 1485.18 1501.27 1506.24 1517.92 1526.19 1558.24 1561.69 1571.57 1577.33 1582.26 1589.94 1609.87 1621.24 1639.77 1648.62 1665.70 1696.25 1702.64 1712.24 1721.29 1737.34 1751.19 1755.83 1763.83 1766.49 1781.89 1797.05 1820.49 1830.30 1849.51 1859.61 1869.11 1875.66 1889.70 1923.77 1929.44 1958.15 1969.24 1977.90 1986.77 2009.46 2028.19 2033.46 2047.67 2049.95 2066.57 2081.04 2085.42 2096.79 2103.70 2116.19 2130.99 2139.26 2148.37 2153.06 2163.48 2170.76 2172.21 2175.67 2183.18 2186.46 2203.06 2207.81 2212.83 2217.18 2224.64 2230.70 2237.15 2243.47 2253.07 2255.66 2261.95 2264.83 2272.76 2280.66 2285.58 2286.68 2297.45 2343.06 2346.21 2349.19 2352.24 2354.83 2360.53 2362.53 2364.03 2364.44 2367.86 2368.93 2371.60 2372.85 2376.30 2381.77 2382.62 2384.21 2399.03 2404.48 2406.29 2407.40 2422.74 2459.55 2509.76 2689.81 2764.80 4556.92 4577.19 4580.13 4592.55 4599.63 4605.10 4612.51 4616.08 4622.57 4623.79 4625.64 4629.11 4631.28 4632.44 4644.84 4647.30 4649.11 4653.75 4657.74 4661.48 4665.23 4676.67 4688.47 4696.03 4701.36 4708.52 4714.13 4716.73 4736.01 4737.66 4739.21 4748.39 4749.99 4776.33 4787.01 4793.67 4819.84 4838.59 4851.09 4856.00 4912.70 4954.81 4975.05 5329.93 5639.67 0.775296 0.808564 0.809509 0.706511 -1888.468184 -1888.434916 -1888.433972 -1888.536969 3.454536D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2020 DUDE C[C@H]1C[C@@H](C[NH+](C1)CCCN2C(=O)c3cc4c(n3C[C@@]2(C)C(=O)NC5CCCCCCC5)ccs4)C C21161384 RHF 6-31G(d) (6D,10F) C1 513.326324 |X|Y|Z| 79.565493 131.958548 44.920587 77.839954 31 6 7 16 26 4 1 |36.858105| |12.414959|36.858105| |8.969734|17.550328|0.500000| |7.414434|12.399316|0.247513|36.858105| |5.894682|7.447424|0.152785|12.424250|36.858105| |6.446190|6.713414|0.137735|8.856985|17.509298|0.500000| |5.036985|6.460159|0.137083|7.569557|12.463876|0.248615|36.858105| |6.055581|7.587129|0.155557|6.513879|7.599908|0.191962|12.684945|53.358707| |6.877744|7.143890|0.144584|5.983104|7.156121|0.212239|9.349255|25.727438|0.500000| |7.470806|12.468774|0.252932|7.598941|6.482579|0.158214|7.697146|17.184595|0.257773|36.858105| |4.271636|4.943529|0.115427|4.376598|4.939349|0.128354|7.621161|17.201494|0.258356|7.631341|36.858105| |4.042088|4.217955|0.101945|3.556749|3.833326|0.106229|5.005788|10.298082|0.209168|5.912660|12.462384|36.858105| |3.106252|3.273067|0.083309|2.851283|3.006042|0.081986|3.782169|6.710804|0.130770|4.331644|7.489682|12.307656|36.858105| |2.963672|3.087403|0.081476|2.623790|2.648351|0.072233|3.166679|5.526469|0.108679|3.970866|5.306190|7.586007|13.046445|53.358707| |3.106943|3.359384|0.091372|2.796304|2.721845|0.072697|3.224999|5.631874|0.106579|4.415309|5.138636|6.260006|7.984879|18.922330|36.858105| |3.438730|3.943903|0.107180|3.256627|3.133851|0.081523|3.819321|6.808911|0.121305|5.576511|6.297727|6.619532|7.280240|11.549893|15.685779|73.516695| |2.746543|2.912794|0.081905|2.443420|2.329932|0.062564|2.647147|4.415041|0.085346|3.568888|3.722753|4.323140|5.118794|10.759013|13.107075|14.469482|36.858105| |2.579217|2.779741|0.080630|2.353996|2.196017|0.058392|2.443415|3.949354|0.075652|3.297674|3.191877|3.465342|3.865564|6.966120|7.455241|11.351116|13.916842|36.858105| |2.266144|2.374015|0.068803|2.040033|1.913323|0.051478|2.089972|3.313457|0.064810|2.709266|2.636949|2.896229|3.218637|5.687327|5.230209|7.874897|8.623129|13.517797|36.858105| |2.223562|2.275206|0.064673|1.956450|1.865292|0.050807|2.044806|3.267046|0.064971|2.598847|2.634985|3.011907|3.429200|6.317872|5.322124|7.456852|8.646548|8.433561|13.822370|36.858105| |2.462272|2.521163|0.070385|2.145141|2.069488|0.056472|2.314161|3.792493|0.075431|2.972838|3.156956|3.774464|4.502782|9.353250|7.771928|9.505793|13.850394|8.465754|8.592881|14.078451|53.358707| |2.472622|2.463889|0.067251|2.105296|2.072481|0.057449|2.324029|3.835335|0.078208|2.892431|3.230048|4.101052|4.996974|10.540262|6.673429|8.358281|7.780420|5.286637|5.258468|7.522119|18.003124|36.858105| |2.520828|2.548159|0.067994|2.207112|2.229315|0.061653|2.577178|4.288057|0.086852|3.083938|3.847228|5.154861|7.432142|17.529843|7.618132|9.397355|6.716629|4.566277|4.158005|5.114629|10.640710|12.402768|36.858105| |2.474655|2.424073|0.063623|2.123343|2.187305|0.061758|2.504086|4.125187|0.086626|2.859269|3.627679|5.004231|6.459308|10.395968|5.078663|7.185783|4.483994|3.401246|3.199393|3.834456|6.921200|7.723534|12.385096|36.858105| |2.131560|2.188122|0.058851|1.950017|1.979452|0.054268|2.282163|3.640528|0.072606|2.604929|3.254488|3.975120|5.656411|10.208513|5.704831|7.753794|5.467778|4.121358|3.891373|4.697454|8.583122|7.660108|12.302045|7.654238|36.858105| |1.921187|1.947317|0.052592|1.749875|1.774813|0.048974|2.010394|3.150755|0.063563|2.260391|2.729355|3.266166|4.274897|7.141789|4.296536|6.135455|4.378077|3.524822|3.529755|4.362635|7.268074|6.625800|8.068933|6.688700|15.825426|73.516695| |2.087803|2.195601|0.059110|1.983627|2.021428|0.054655|2.364442|3.715020|0.072373|2.645467|3.395657|3.923422|5.720271|9.282136|5.717937|8.260302|5.208993|4.119401|3.723413|4.146943|7.150316|5.419895|7.675867|5.398389|14.244600|15.091864|53.358707| |1.812206|1.909324|0.051720|1.759594|1.795323|0.048422|2.072673|3.151021|0.061363|2.247073|2.796563|3.072908|4.085646|6.097090|4.083116|6.360777|3.940077|3.416574|3.212888|3.478611|5.454682|4.003716|4.921820|3.983685|7.728931|12.026979|17.653538|36.858105| |1.780647|1.910995|0.052314|1.773396|1.791498|0.047703|2.065265|3.097244|0.059318|2.248478|2.716483|2.851426|3.635543|5.371729|3.941253|6.451099|3.875634|3.576569|3.298213|3.357515|5.050141|3.445070|3.972238|3.204410|5.283062|8.207496|10.725414|12.438291|36.858105| |1.564252|1.672783|0.046012|1.573829|1.588576|0.042338|1.802458|2.645228|0.050933|1.924614|2.256618|2.327511|2.824275|4.076730|3.009171|5.053987|3.025262|2.914909|2.785540|2.801511|4.019409|2.762619|3.050212|2.595723|3.856353|6.483914|6.740893|7.265944|12.392677|36.858105| |1.444447|1.523177|0.041995|1.429351|1.438654|0.038668|1.610343|2.366374|0.046145|1.727595|1.986741|2.083761|2.492269|3.656779|2.663083|4.388668|2.758932|2.668231|2.663819|2.743960|3.832052|2.670024|2.856983|2.481675|3.644391|6.563615|5.852455|6.156231|7.299504|12.346379|36.858105| |1.356203|1.417988|0.038838|1.339524|1.360986|0.036802|1.519186|2.217030|0.043582|1.596963|1.856972|1.955061|2.321148|3.325601|2.354193|3.890316|2.389529|2.272956|2.270379|2.379321|3.359338|2.430339|2.633847|2.384022|3.340635|6.228990|5.173277|5.336796|5.322273|7.302246|12.400927|36.858105| |1.410324|1.464234|0.039767|1.380719|1.415915|0.038511|1.589653|2.332020|0.046139|1.656302|1.974677|2.112498|2.547392|3.604819|2.462900|4.024226|2.447628|2.259888|2.238798|2.400130|3.482219|2.612531|2.922097|2.709759|3.820094|7.319795|5.838153|6.155062|5.136718|5.779642|7.196891|12.400406|36.858105| |1.511846|1.579971|0.042566|1.496466|1.551351|0.042073|1.766960|2.586464|0.050899|1.807891|2.234017|2.374819|2.920575|3.986434|2.676793|4.422515|2.560193|2.325089|2.235480|2.376375|3.547832|2.683515|3.143743|2.923987|4.108808|7.384810|6.702795|7.246053|5.797869|5.941649|5.777754|7.305176|12.345792|36.858105| |1.718150|1.799419|0.048224|1.684200|1.749061|0.047418|2.023384|3.022600|0.059303|2.099272|2.686868|2.924557|3.809289|5.206539|3.369453|5.442971|3.132380|2.741335|2.580820|2.779928|4.319714|3.318350|4.141240|3.730773|5.837026|9.786197|10.615539|12.422260|7.291665|5.827915|5.145177|5.328011|7.294198|12.387332|36.858105| |1.957486|1.974587|0.056141|1.723392|1.648559|0.045196|1.781497|2.792057|0.056110|2.195993|2.216918|2.507060|2.800222|4.851530|3.829504|5.672222|5.244312|5.321600|8.056506|13.277107|9.992202|5.700796|4.064738|3.325359|3.923588|7.017760|4.681225|3.054627|2.922834|2.551721|2.601340|2.290751|2.296277|2.210846|2.508253|36.858105| |1.840919|1.871424|0.053861|1.645757|1.560083|0.042558|1.669743|2.580705|0.051570|2.052224|2.019310|2.221982|2.433535|4.065498|3.291180|5.104365|4.377157|4.927911|7.739841|8.371257|7.166969|4.150086|3.235600|2.714874|3.176866|5.633596|3.984549|2.690255|2.675724|2.405661|2.457266|2.147051|2.102591|2.014265|2.235709|14.170023|36.858105| |1.955440|2.033931|0.059494|1.783127|1.666023|0.044907|1.784146|2.752285|0.054163|2.239956|2.140306|2.296385|2.489306|4.125302|3.548030|5.696064|4.829045|6.423222|10.969569|7.401275|6.848395|3.740833|3.077401|2.535573|2.995600|5.077768|3.942283|2.656017|2.766462|2.476541|2.442114|2.092083|2.019813|1.972099|2.194886|7.298799|10.925658|388.023441| |4.112600|4.865440|0.113577|7.500131|12.447339|0.248335|7.620653|6.742567|0.129864|4.399018|3.810743|3.046468|2.528976|3.053753|2.296648|4.635073|2.004836|1.914522|1.689690|1.643614|2.450216|1.797520|1.930936|1.899368|1.756385|2.828310|2.462132|1.639080|1.647889|1.483907|1.344937|1.279239|1.325593|1.452332|1.613701|1.470050|1.402222|10.639439|36.858105| |17.582907|8.812332|0.215806|6.773953|5.220720|0.159465|4.211803|6.292631|0.141033|5.472501|3.465422|3.288614|2.640217|3.467609|2.670510|5.186100|2.425420|2.320589|2.074548|2.027968|3.000033|2.203872|2.220312|2.188368|1.909148|3.095522|2.546439|1.646402|1.624248|1.443272|1.340445|1.261828|1.306838|1.392642|1.565780|1.812565|1.722524|13.001697|3.931077|0.500000| |17.557361|8.764763|0.215266|5.431822|4.545642|0.134719|4.246786|7.342755|0.169037|6.846502|4.141342|4.196387|3.256687|4.376105|3.393677|6.526398|3.039379|2.833165|2.495361|2.463091|3.724961|2.752706|2.744858|2.683038|2.274431|3.643223|2.987220|1.885932|1.841870|1.609028|1.493419|1.397514|1.454198|1.549786|1.769852|2.156783|2.015265|15.161478|3.374519|0.302531|0.500000| |17.525004|8.637659|0.172915|6.630111|6.365865|0.220266|5.442260|8.842513|0.233270|6.592515|4.507013|4.305561|3.209611|4.040829|3.002803|5.824346|2.614580|2.410317|2.132785|2.126160|3.236165|2.442365|2.539464|2.557420|2.144243|3.441991|2.849311|1.815830|1.765303|1.550404|1.432962|1.355962|1.421198|1.531752|1.743278|1.881607|1.755329|13.074715|4.342493|0.303886|0.301588|0.500000| |5.477173|8.851624|0.223475|17.515135|8.875426|0.174148|6.779992|7.712778|0.136386|6.813445|4.137248|3.304833|2.745553|3.464188|2.762161|5.814189|2.429397|2.380984|2.050067|1.939464|2.872863|2.039862|2.137662|2.025347|1.916415|3.052549|2.687889|1.765919|1.805461|1.608517|1.451607|1.353374|1.385029|1.501791|1.683675|1.705409|1.641443|12.804267|7.009879|0.142504|0.123204|0.135716|0.500000| |6.978457|8.816400|0.208838|17.570762|8.845798|0.215592|5.516821|6.656496|0.133023|5.523038|3.549512|3.033700|2.487841|3.163150|2.458856|4.962823|2.198979|2.136772|1.884470|1.811262|2.670470|1.931025|1.999300|1.941440|1.776234|2.865229|2.442297|1.605637|1.615141|1.447235|1.325463|1.246950|1.283143|1.381412|1.541249|1.615591|1.551411|11.897260|6.819456|0.208508|0.141604|0.172477|0.303933|0.500000| |4.265613|5.722980|0.131444|6.772450|8.757193|0.173773|17.592718|12.439405|0.182323|7.076922|7.044271|4.551834|3.675249|4.239407|3.255166|7.044210|2.678089|2.509978|2.125891|2.051640|3.141302|2.275088|2.522424|2.395976|2.275874|3.550054|3.272647|2.126559|2.159478|1.887428|1.667510|1.562573|1.622044|1.808653|2.065563|1.780792|1.680526|12.924664|6.916203|0.102103|0.103341|0.120765|0.197883|0.138778|0.500000| |4.207093|4.854815|0.108203|5.498756|8.783796|0.216715|17.616805|12.384693|0.224157|5.614913|7.171343|4.911636|3.769390|4.168969|3.011062|6.147648|2.474764|2.261449|1.958879|1.940821|2.997460|2.248389|2.533919|2.515592|2.266272|3.565419|3.198259|2.072277|2.042518|1.788713|1.600160|1.524812|1.608960|1.802965|2.061599|1.704124|1.590258|11.939943|6.888842|0.100398|0.101561|0.131519|0.138965|0.123412|0.301314|0.500000| |6.919083|8.733354|0.212215|5.496316|4.847615|0.126831|5.615659|12.319374|0.219969|17.674539|7.230953|6.699371|4.883893|6.428145|5.426961|12.121011|4.295792|3.860436|3.113116|3.002368|4.771825|3.396567|3.566302|3.241556|2.904578|4.437366|3.941638|2.406064|2.383580|2.014366|1.817076|1.670741|1.736505|1.884490|2.211228|2.486336|2.295107|17.792914|3.547198|0.141326|0.207621|0.168252|0.139622|0.122977|0.145490|0.126604|0.500000| |5.464387|8.777737|0.220904|6.863738|5.802834|0.133699|7.145392|12.471920|0.182186|17.624833|7.043726|5.176677|4.150854|5.227292|4.444472|10.597443|3.609882|3.432723|2.766730|2.594147|3.997247|2.781451|2.973805|2.689720|2.582892|3.967494|3.660101|2.307476|2.362322|2.022641|1.793152|1.643365|1.688939|1.848620|2.140760|2.181463|2.060220|16.297889|4.293145|0.123036|0.141628|0.135517|0.201267|0.139888|0.218030|0.145784|0.303753|0.500000| |3.891345|4.738673|0.116415|4.205232|4.461488|0.111381|6.546575|12.413067|0.183658|7.509993|17.694347|8.824283|7.156273|7.453131|5.814421|14.320550|4.103814|3.569534|2.858181|2.789556|4.536191|3.273533|3.864475|3.446449|3.354376|4.936263|4.931747|2.984728|2.989727|2.453949|2.122180|1.952469|2.050567|2.322540|2.802119|2.312510|2.121762|16.319531|3.577060|0.089575|0.105985|0.108522|0.116496|0.094545|0.194970|0.162199|0.199652|0.227817|0.500000| |3.680815|4.153473|0.097901|3.974216|4.793310|0.125445|7.604012|12.374141|0.209885|5.652143|17.619954|8.804205|6.456341|6.116477|4.194782|8.656682|3.182352|2.769757|2.343340|2.355726|3.785611|2.879266|3.464526|3.374371|3.050841|4.613931|4.390027|2.725920|2.636664|2.218299|1.948638|1.844945|1.975783|2.266182|2.705621|2.018712|1.846160|13.793853|3.907963|0.085810|0.097201|0.110616|0.105229|0.091436|0.196020|0.237184|0.144242|0.150863|0.300461|0.500000| |3.892210|3.846776|0.091961|3.347687|3.739153|0.108001|4.732961|8.967370|0.206169|4.933577|8.868363|17.534005|8.758219|8.036660|4.764939|8.567249|3.594225|2.948838|2.554843|2.694603|4.498718|3.715162|4.617761|4.993857|3.638216|5.499179|4.776608|2.824385|2.577255|2.145801|1.948318|1.859473|2.030412|2.281174|2.773160|2.306256|2.045348|14.769784|3.006595|0.089169|0.110860|0.120895|0.084801|0.081009|0.114934|0.136875|0.147808|0.118370|0.174455|0.221366|0.500000| |4.652230|4.701307|0.114765|3.701474|3.783156|0.105805|4.640579|9.837596|0.208888|6.626323|8.826062|17.627219|8.862538|10.436438|6.889743|12.616752|4.824502|3.821156|3.170453|3.298532|5.671700|4.497835|5.247931|4.970950|3.856143|5.700395|5.011194|2.888398|2.702141|2.220376|2.012465|1.874175|2.004801|2.206380|2.682368|2.711147|2.392378|17.628411|2.952958|0.102458|0.142051|0.133769|0.094290|0.088233|0.116779|0.120365|0.240391|0.151874|0.202142|0.174278|0.303814|0.500000| |2.899414|3.166486|0.081208|2.836481|3.005271|0.079998|3.869517|6.541215|0.120940|4.218167|7.615582|8.802039|17.576366|12.436869|7.299254|13.360189|4.801516|3.799649|3.117048|3.217813|5.554635|4.238213|5.904667|4.975368|5.236867|7.072704|8.156204|4.403655|4.078888|3.109324|2.651537|2.446836|2.662407|3.127894|4.119725|2.638039|2.336840|17.329899|2.575801|0.069209|0.082639|0.082395|0.077600|0.068264|0.108925|0.107366|0.126280|0.118479|0.230675|0.193237|0.183765|0.183203|0.500000| |2.787443|2.860872|0.072804|2.551311|2.733520|0.075818|3.365407|5.670580|0.114832|3.597593|5.858348|8.805495|17.726350|12.532250|5.816948|9.235893|4.265277|3.314358|2.885345|3.145044|5.503051|4.748209|7.376594|7.676373|5.927108|8.176285|7.814309|4.178917|3.529573|2.782001|2.493919|2.379246|2.682033|3.115034|4.122078|2.651608|2.293310|16.286351|2.347270|0.066899|0.080736|0.081383|0.067909|0.062866|0.089813|0.096301|0.109602|0.095153|0.149032|0.156310|0.231464|0.185326|0.305799|0.500000| |2.638943|2.931612|0.086533|2.494180|2.293091|0.060108|2.548394|4.068226|0.076459|3.485303|3.238509|3.350706|3.627656|6.097937|6.496114|11.598080|8.762574|17.811067|8.498364|5.770401|7.908510|4.166913|3.842172|2.984435|3.535666|5.406749|5.003881|3.141482|3.408483|2.827548|2.539578|2.161875|2.128226|2.209009|2.572172|4.178541|4.089695|39.402806|2.005048|0.066149|0.079424|0.067696|0.071312|0.062555|0.073981|0.064693|0.111231|0.104361|0.103250|0.077906|0.078784|0.101530|0.102217|0.085723|0.500000| |2.701887|2.623049|0.071406|2.204500|2.158280|0.060485|2.391106|3.998975|0.083218|3.040904|3.274221|4.241249|4.755980|9.304713|6.015260|7.967421|6.601800|4.774492|4.713839|6.293265|12.452534|17.542022|8.836752|7.339217|5.562947|8.914551|5.822105|3.303262|2.914385|2.399929|2.318418|2.138933|2.292757|2.363519|2.859181|5.073771|3.839925|24.793556|1.851902|0.066627|0.085367|0.074150|0.058587|0.056411|0.064064|0.063971|0.100908|0.079252|0.090034|0.080218|0.108597|0.135802|0.109172|0.125104|0.107829|0.500000| |2.186316|2.166428|0.059269|1.883394|1.862069|0.051778|2.066558|3.328813|0.068168|2.487659|2.769102|3.410914|4.094569|7.678460|4.942030|6.684862|5.748494|4.412513|4.719338|6.940893|12.525534|17.680549|8.914770|6.945551|7.412827|13.701686|6.887838|3.975123|3.340370|2.744951|2.742656|2.526012|2.734579|2.732331|3.317630|6.138425|4.293435|25.687189|1.637581|0.054907|0.066962|0.060269|0.050808|0.048442|0.056285|0.056021|0.079214|0.066802|0.077628|0.070223|0.088591|0.101071|0.099680|0.113237|0.099039|0.300308|0.500000| |2.229867|2.167655|0.057487|1.913761|1.958156|0.055414|2.198926|3.541184|0.074480|2.493050|3.011992|3.914529|4.748458|7.614772|4.186479|6.038227|3.991968|3.142935|3.084797|3.793375|6.519998|7.386296|8.873944|17.635620|6.933913|12.848438|6.509067|3.760098|3.006673|2.496860|2.457062|2.388101|2.728504|2.854337|3.533466|3.450305|2.778718|17.837914|1.721047|0.055613|0.067217|0.063702|0.050845|0.049159|0.058659|0.061323|0.077766|0.065516|0.080340|0.078732|0.109558|0.109938|0.109152|0.150547|0.076194|0.194392|0.218455|0.500000| |2.359521|2.330663|0.060617|2.082511|2.186360|0.061728|2.532196|4.097405|0.085817|2.751397|3.685032|4.984852|6.644582|8.965392|4.482352|6.677908|3.843458|3.016938|2.812013|3.254987|5.634922|5.552692|8.673390|17.609946|7.087982|11.105265|7.449147|4.142287|3.258674|2.648518|2.511190|2.459445|2.861758|3.184404|4.138346|2.865433|2.404206|16.194842|1.916769|0.058112|0.069660|0.068557|0.055283|0.052799|0.067344|0.072046|0.084452|0.072385|0.096128|0.098767|0.143795|0.128015|0.146190|0.257460|0.075417|0.144699|0.144527|0.305139|0.500000| |2.779177|2.656434|0.069015|2.290921|2.360440|0.067531|2.684815|4.522474|0.097617|3.121491|3.886578|5.636384|6.389322|9.725394|4.972593|7.244866|4.308179|3.307376|3.080675|3.619318|6.418466|6.834438|8.786527|17.566545|5.529846|8.714459|5.891788|3.319583|2.802040|2.310421|2.199285|2.108397|2.353620|2.532941|3.133944|3.140605|2.600176|17.457071|2.018234|0.067584|0.084851|0.080612|0.059834|0.058212|0.070025|0.074657|0.099693|0.079423|0.099368|0.098662|0.162699|0.163377|0.131802|0.199730|0.081501|0.213117|0.162770|0.300277|0.299927|0.500000| |2.265182|2.424559|0.065098|2.182190|2.223298|0.059528|2.648295|4.208024|0.080427|2.995318|3.971797|4.515879|6.938327|11.009562|7.058530|10.369798|5.793449|4.506736|3.830722|4.083600|7.151373|5.159069|7.304170|5.067233|9.445258|10.878356|26.134625|8.982046|7.502265|4.684964|3.865737|3.376673|3.677330|4.294388|6.358728|3.286485|2.846974|20.765303|1.974689|0.055896|0.065879|0.062865|0.060647|0.054225|0.075582|0.072581|0.091177|0.085701|0.121699|0.103303|0.107677|0.115695|0.220913|0.176989|0.114333|0.117029|0.126240|0.119643|0.142152|0.118831|0.500000| |1.715625|1.788696|0.048731|1.643331|1.665267|0.045161|1.894247|2.877985|0.056598|2.074803|2.496093|2.767880|3.559575|5.487122|3.709918|5.696343|3.781238|3.327469|3.273882|3.643719|5.533812|4.081865|4.709325|3.869953|7.541692|13.913745|12.718372|17.672579|8.899714|6.645793|6.852984|5.944394|6.870245|6.650038|8.904829|3.307849|2.885824|19.621178|1.522303|0.043553|0.049890|0.047637|0.045681|0.041970|0.053639|0.052453|0.062019|0.058757|0.073179|0.067176|0.071498|0.073816|0.102339|0.101608|0.083499|0.092449|0.118346|0.106197|0.108814|0.089135|0.183435|0.500000| |1.842032|1.981337|0.054785|1.817455|1.810012|0.048116|2.073223|3.142712|0.060078|2.333599|2.724868|2.875247|3.625235|5.649708|4.374322|7.028809|4.560399|4.318452|3.981955|3.970912|5.869017|3.773685|4.159392|3.225552|5.369919|8.243908|10.196235|9.002760|17.525183|8.901105|6.427621|4.539660|4.262382|4.469235|5.448128|3.372398|3.097529|23.245140|1.653349|0.046657|0.053341|0.050246|0.051495|0.045985|0.060237|0.056229|0.069547|0.068341|0.084119|0.071905|0.071247|0.077423|0.110775|0.095013|0.112909|0.087404|0.100716|0.084315|0.088155|0.079011|0.205008|0.217721|0.500000| |1.870544|2.034969|0.055434|1.901619|1.933240|0.051049|2.261911|3.371610|0.063701|2.425056|3.009758|3.072090|3.930154|5.536513|4.106248|7.021830|3.820349|3.519313|3.120462|3.108945|4.752736|3.254557|3.841672|3.132457|4.780621|7.171782|9.728619|8.846270|17.470071|8.860755|5.419446|4.349385|4.308899|5.213389|6.640691|2.670018|2.462049|18.481831|1.780879|0.047195|0.053301|0.051578|0.054101|0.047734|0.066510|0.062212|0.070630|0.071691|0.093850|0.081823|0.076274|0.079390|0.129091|0.104097|0.095952|0.078093|0.085389|0.079751|0.089691|0.077371|0.219758|0.174285|0.303520|0.500000| |1.550445|1.670696|0.046303|1.575531|1.577159|0.041799|1.780546|2.598449|0.049745|1.914709|2.190673|2.224119|2.643187|3.827062|2.917753|4.995845|2.973533|2.964877|2.824535|2.754410|3.871833|2.595399|2.799271|2.374567|3.387695|5.646485|5.747709|5.465098|9.010999|17.547515|8.843049|5.563966|4.405746|4.464831|4.455525|2.505496|2.414891|18.159145|1.478138|0.039864|0.044227|0.042405|0.045059|0.040275|0.052191|0.048707|0.055464|0.056441|0.066860|0.059479|0.056616|0.059431|0.081025|0.071024|0.081563|0.063286|0.070971|0.063295|0.066516|0.059671|0.115899|0.141655|0.228463|0.212452|0.500000| |1.516269|1.622854|0.044394|1.543127|1.572045|0.041877|1.787952|2.591839|0.049895|1.861876|2.214023|2.256220|2.714132|3.786871|2.753683|4.706356|2.695194|2.579207|2.443157|2.459783|3.560076|2.499638|2.801232|2.451406|3.468796|5.843438|5.993686|6.242864|8.785328|17.580345|8.804877|7.174326|5.920770|6.720033|5.961030|2.251418|2.124975|15.530042|1.480443|0.038919|0.043020|0.041969|0.043842|0.039433|0.052115|0.049702|0.053566|0.054363|0.066521|0.061416|0.058310|0.059082|0.083820|0.075151|0.070227|0.061248|0.068773|0.065252|0.070734|0.060974|0.117743|0.152563|0.175144|0.221546|0.306872|0.500000| |1.491135|1.564125|0.043225|1.453713|1.455714|0.039249|1.625847|2.415737|0.047291|1.775717|2.025812|2.158652|2.598076|3.925624|2.859717|4.606453|3.045624|2.933530|2.997691|3.149701|4.348639|3.006057|3.151626|2.689423|4.116554|7.606828|6.412424|6.590575|7.141089|8.762873|17.515467|8.793583|6.506199|5.147646|5.014500|3.012955|2.812759|19.463657|1.350844|0.038380|0.043137|0.040999|0.040853|0.037463|0.046517|0.044694|0.052408|0.050925|0.059964|0.054619|0.055910|0.058502|0.075529|0.072055|0.075913|0.071289|0.087226|0.074807|0.074340|0.065612|0.114011|0.232454|0.194731|0.142064|0.194692|0.175113|0.500000| |1.366943|1.443412|0.040010|1.359750|1.361608|0.036537|1.511942|2.206145|0.042997|1.622728|1.827891|1.897566|2.222968|3.253808|2.410606|4.024375|2.524230|2.503818|2.525574|2.553647|3.484659|2.398520|2.510207|2.198599|3.076613|5.532933|4.802137|4.620097|5.572873|8.880263|17.546075|8.994515|5.414538|4.469914|3.997045|2.456003|2.376524|16.963800|1.279539|0.035423|0.039197|0.037531|0.038499|0.035164|0.043603|0.041594|0.047223|0.046935|0.054301|0.049749|0.049342|0.051248|0.065518|0.061307|0.066982|0.058642|0.068317|0.060622|0.061361|0.054934|0.090776|0.139388|0.147089|0.124715|0.233888|0.196044|0.306117|0.500000| |1.283680|1.334541|0.036659|1.259870|1.275450|0.034596|1.411670|2.058578|0.040666|1.490202|1.704980|1.800613|2.108115|3.042892|2.161614|3.564057|2.225711|2.135654|2.172510|2.287097|3.172552|2.298851|2.433558|2.227242|3.027404|5.783524|4.494829|4.339828|4.259631|5.434894|8.936579|17.526377|8.932106|5.435158|4.259707|2.252410|2.126812|14.525198|1.200230|0.033315|0.036821|0.035611|0.035298|0.032734|0.040182|0.039294|0.043362|0.042431|0.049530|0.046907|0.047807|0.048360|0.060900|0.060012|0.056241|0.056564|0.067254|0.062871|0.063222|0.055040|0.081760|0.138788|0.107210|0.098792|0.126363|0.144131|0.214200|0.224447|0.500000| |1.305501|1.370137|0.037500|1.305147|1.330170|0.035880|1.483580|2.142334|0.042005|1.537907|1.788124|1.855798|2.177066|3.060685|2.179086|3.663161|2.184780|2.094240|2.069998|2.138155|3.020337|2.180919|2.371749|2.169111|2.920172|5.325277|4.550554|4.504269|4.726723|6.733178|8.896353|17.497518|8.893942|6.740472|4.736119|2.050382|1.941888|13.645949|1.259581|0.033824|0.037155|0.036292|0.036750|0.033778|0.042562|0.041478|0.044327|0.044133|0.052277|0.049735|0.049153|0.049182|0.064348|0.061859|0.056095|0.054016|0.062206|0.059845|0.062575|0.053933|0.085091|0.129757|0.111220|0.114091|0.150423|0.211904|0.173731|0.218138|0.304884|0.500000| |1.452122|1.497672|0.040696|1.400397|1.431355|0.039088|1.603981|2.378151|0.047302|1.695191|2.013209|2.193464|2.665771|3.860176|2.605465|4.172208|2.624357|2.393950|2.404127|2.637476|3.835000|2.921554|3.246534|3.008037|4.393912|8.956011|6.398233|6.596851|5.016461|5.153254|6.504652|8.786731|17.519800|8.762493|7.127097|2.545793|2.292427|15.331327|1.330587|0.037316|0.041864|0.040635|0.038846|0.036172|0.045187|0.044972|0.049806|0.047706|0.057791|0.055463|0.058610|0.058269|0.075917|0.078409|0.061634|0.070298|0.086900|0.085826|0.087394|0.071381|0.107572|0.233638|0.120855|0.114306|0.112296|0.136167|0.189475|0.137494|0.213829|0.173642|0.500000| |1.321288|1.365049|0.037032|1.294156|1.330927|0.036321|1.484554|2.161709|0.042984|1.530418|1.812613|1.932185|2.285660|3.195268|2.180894|3.592730|2.162884|2.008158|1.998440|2.139339|3.081426|2.332530|2.581190|2.461427|3.247113|6.275202|4.788831|4.618534|3.990634|4.469873|5.416159|8.999761|17.545349|8.879801|5.565114|2.073215|1.911018|12.994956|1.252992|0.034156|0.037749|0.037092|0.035999|0.033558|0.041940|0.041908|0.044363|0.043192|0.051851|0.050681|0.052155|0.050980|0.065844|0.067258|0.052774|0.057786|0.068062|0.069463|0.072530|0.060074|0.085759|0.139695|0.095300|0.097414|0.100751|0.130836|0.137598|0.125107|0.224549|0.218102|0.306113|0.500000| |1.469168|1.525840|0.040901|1.453227|1.518530|0.041393|1.725353|2.509066|0.049718|1.735288|2.157784|2.295385|2.779809|3.709330|2.458614|4.088116|2.328068|2.108585|2.028719|2.163353|3.234788|2.492166|2.925677|2.830275|3.686349|6.705796|5.717767|5.459637|4.437687|4.462220|4.404057|5.563358|8.847915|17.545138|9.004764|2.027251|1.847244|12.796620|1.427709|0.037664|0.041696|0.041616|0.040344|0.037369|0.048760|0.049343|0.049995|0.048966|0.061433|0.061521|0.062274|0.058905|0.081795|0.083991|0.055778|0.061944|0.070608|0.077115|0.087298|0.068568|0.103783|0.142014|0.100276|0.116397|0.099586|0.139537|0.112254|0.100720|0.126356|0.150349|0.195058|0.233872|0.500000| |1.481841|1.562248|0.042176|1.491158|1.545696|0.041656|1.762056|2.550417|0.049800|1.785928|2.195645|2.280397|2.763735|3.728822|2.564309|4.327424|2.444381|2.258054|2.151851|2.240430|3.314735|2.454864|2.842191|2.617929|3.576242|6.230549|5.952686|6.200474|5.891775|6.684040|5.905054|7.175803|8.807995|17.572296|8.775383|2.075624|1.919163|13.599385|1.457615|0.037997|0.041962|0.041594|0.041848|0.038206|0.050573|0.049898|0.051283|0.051205|0.064057|0.062179|0.060484|0.058746|0.083914|0.080299|0.060515|0.060613|0.068477|0.070208|0.078475|0.064215|0.111636|0.152012|0.123501|0.154923|0.139204|0.245708|0.135726|0.130680|0.144216|0.212470|0.175010|0.196510|0.306954|0.500000| |1.796275|1.898107|0.050511|1.789806|1.878517|0.050682|2.205423|3.272845|0.063671|2.235863|2.968078|3.166260|4.158776|5.350999|3.456818|5.746405|3.088206|2.700007|2.480415|2.623492|4.114971|3.144073|3.998394|3.635325|5.193783|8.190828|9.653538|8.862639|6.661097|5.255166|4.324378|4.357735|5.414416|8.834582|17.489467|2.335480|2.098667|14.921949|1.736568|0.045289|0.050983|0.050839|0.049812|0.045214|0.062907|0.062924|0.064751|0.063679|0.086325|0.084588|0.083159|0.078708|0.130828|0.125237|0.071554|0.076668|0.084882|0.092620|0.114224|0.086695|0.182742|0.174573|0.139593|0.197036|0.117261|0.157204|0.114498|0.097765|0.098877|0.114401|0.141855|0.124438|0.211010|0.221157|0.500000| |1.736835|1.794907|0.047871|1.672126|1.743276|0.047712|2.009208|3.025181|0.060163|2.085616|2.683039|3.007487|3.930566|5.368428|3.331768|5.285927|3.089920|2.655037|2.526190|2.786660|4.383279|3.526560|4.506693|4.285670|6.460339|11.517256|10.104375|9.028882|5.458978|4.485581|4.263028|4.536406|6.412024|8.907870|17.542947|2.537837|2.228019|15.249178|1.600547|0.043921|0.049906|0.049270|0.046018|0.042626|0.056219|0.057161|0.061374|0.058238|0.076031|0.075063|0.080781|0.076642|0.112897|0.123680|0.068347|0.084554|0.099647|0.114501|0.136995|0.097104|0.162162|0.218276|0.125433|0.139610|0.100567|0.124533|0.120674|0.095315|0.107013|0.111262|0.193841|0.146627|0.229033|0.175264|0.303637|0.500000| |1.867482|1.861256|0.052450|1.634114|1.577332|0.043544|1.701253|2.657151|0.053902|2.057745|2.111725|2.412768|2.697673|4.605422|3.459203|5.133270|4.431308|4.241739|5.631526|8.506512|8.484495|5.681815|4.033631|3.441444|3.932133|7.399107|4.536520|2.986010|2.770554|2.442382|2.536817|2.284530|2.324147|2.214252|2.498014|17.767059|8.906210|37.188916|1.410529|0.048150|0.057053|0.050350|0.044662|0.042712|0.046936|0.045571|0.064347|0.056287|0.060376|0.053896|0.062674|0.071979|0.069908|0.072530|0.095968|0.141991|0.188874|0.103084|0.081930|0.089521|0.086509|0.091386|0.086556|0.069962|0.065645|0.060365|0.081835|0.066173|0.062982|0.056510|0.072557|0.058733|0.056855|0.057094|0.063987|0.071460|0.500000| |1.687266|1.706442|0.049098|1.515007|1.438760|0.039346|1.528446|2.336904|0.046875|1.847528|1.814873|1.982075|2.150492|3.502267|2.779498|4.395033|3.513825|3.878332|5.438455|5.748919|5.593969|3.465213|2.790201|2.417201|2.772861|5.013661|3.497071|2.414995|2.401540|2.212650|2.296821|2.031845|1.979058|1.875772|2.045641|8.824520|17.782154|55.328154|1.302773|0.044225|0.051035|0.044811|0.041972|0.039937|0.042686|0.040584|0.056764|0.051455|0.052657|0.046496|0.051250|0.058879|0.057549|0.056914|0.093574|0.090702|0.101514|0.069448|0.060176|0.064512|0.069047|0.072352|0.075887|0.061410|0.061790|0.054706|0.072599|0.062458|0.056622|0.051228|0.059801|0.050479|0.048062|0.049724|0.053260|0.056746|0.205064|0.500000| |3.990445|4.499342|0.108353|6.860133|8.821952|0.214441|5.527105|5.572206|0.111197|3.837017|3.215137|2.685241|2.256998|2.776419|2.091216|4.164141|1.856926|1.786981|1.593498|1.549721|2.289309|1.678917|1.780702|1.758787|1.621645|2.632623|2.257134|1.510075|1.516974|1.375449|1.256138|1.196780|1.237102|1.345112|1.484622|1.397084|1.338706|10.138375|17.583089|0.111554|0.090543|0.115764|0.174544|0.204128|0.140749|0.141171|0.088477|0.102881|0.084352|0.090161|0.074120|0.073608|0.063232|0.058605|0.051890|0.048267|0.042718|0.044661|0.049049|0.052004|0.049877|0.039243|0.042406|0.045182|0.038119|0.038050|0.035103|0.033319|0.031335|0.032727|0.034545|0.032587|0.036768|0.037448|0.044044|0.041001|0.037299|0.034702|0.500000| 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