Version2.0 2020-01-10T07:40:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCSc1c(cccn1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)CCc4ccc(cc4)OC C39675371 RHF 6-31G(d) (6D,7F) CCSc1c(cccn1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)CCc4ccc(cc4)OC C01[X(C28H39N4O3S1)] 219 C1 622 CCSc1ncccc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](CCc1ccc(cc1)OC)C CCSc1ncccc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](CCc1ccc(cc1)OC)C CCSc1ncccc1C(=O)N2C[C@@H](C(=O)N[C@@H](C)CCc3ccc(OC)cc3)C4(CC[NH2+]CC4)C2 InChIKey=UDVBRQKMMFLLFZ-RDPSFJRHSA-O InChI=1S/C28H38N4O3S/c1-4-36-26-23(6-5-15-30-26)27(34)32-18-24(28(19-32)13-16-29-17-14-28)25(33)31-20(2)7-8-21-9-11-22(35-3)12-10-21/h5-6,9-12,15,20,24,29H,4,7-8,13-14,16-19H2,1-3H3,(H,31,33)/p+1/t20-,24-/m0/s1 InChI=1/C28H38N4O3S/c1-4-36-26-23(6-5-15-30-26)27(34)32-18-24(28(19-32)13-16-29-17-14-28)25(33)31-20(2)7-8-21-9-11-22(35-3)12-10-21/h5-6,9-12,15,20,24,29H,4,7-8,13-14,16-19H2,1-3H3,(H,31,33)/p+1/t20-,24-/m0/s1/fC28H39N4O3S/h29,31H/q+1 CCSc1c(cccn1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)CCc4ccc(cc4)OC C01[X(C28H39N4O3S1)] 219 C01 622 CCSc1ncccc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](CCc1ccc(cc1)OC)C CCSc1ncccc1C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)N[C@H](CCc1ccc(cc1)OC)C CCSc1ncccc1C(=O)N2C[C@@H](C(=O)N[C@@H](C)CCc3ccc(OC)cc3)C4(CC[NH2]CC4)C2 InChIKey=FXPGFOGXIWAVKN-RDPSFJRHSA-N InChI=1S/C28H39N4O3S/c1-4-36-26-23(6-5-15-30-26)27(34)32-18-24(28(19-32)13-16-29-17-14-28)25(33)31-20(2)7-8-21-9-11-22(35-3)12-10-21/h5-6,9-12,15,20,24H,4,7-8,13-14,16-19,29H2,1-3H3,(H,31,33)/t20-,24-/m0/s1 InChI=1/C28H39N4O3S/c1-4-36-26-23(6-5-15-30-26)27(34)32-18-24(28(19-32)13-16-29-17-14-28)25(33)31-20(2)7-8-21-9-11-22(35-3)12-10-21/h5-6,9-12,15,20,24H,4,7-8,13-14,16-19,29H2,1-3H3,(H,31,33)/t20-,24-/m0/s1/f/h31H 4060.2028994764 -1922.7454585 1-A 28157.6283 137 485 622 |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| -92.01912 -20.63580 -20.63007 -20.62147 -15.85509 -15.68791 -15.68277 -15.64706 -11.45322 -11.44886 -11.44447 -11.43668 -11.39735 -11.38038 -11.37826 -11.37223 -11.37171 -11.36393 -11.36296 -11.35902 -11.34898 -11.34848 -11.34808 -11.33674 -11.32631 -11.32276 -11.31704 -11.30069 -11.29650 -11.29368 -11.29101 -11.29003 -11.28915 -11.28694 -11.27968 -11.27711 -9.02968 -6.71265 -6.71100 -6.70930 -1.49972 -1.49112 -1.48862 -1.46557 -1.37130 -1.36008 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0.79927 0.80172 0.80751 0.80974 0.81243 0.81642 0.82765 0.83021 0.83489 0.84579 0.84974 0.85389 0.86018 0.86511 0.86808 0.88070 0.88301 0.88686 0.89673 0.90227 0.91119 0.91331 0.92218 0.93286 0.93545 0.94213 0.94613 0.94764 0.95055 0.95214 0.96453 0.96941 0.97006 0.97715 0.98396 0.98533 0.99196 1.00328 1.00719 1.00897 1.01428 1.01621 1.02396 1.03123 1.03638 1.03863 1.04089 1.05263 1.05334 1.05925 1.06052 1.06179 1.06638 1.07296 1.07422 1.07645 1.07706 1.07786 1.08089 1.08356 1.08865 1.09159 1.09503 1.10044 1.10203 1.10522 1.10861 1.10993 1.11852 1.12177 1.12371 1.12981 1.13456 1.13905 1.14065 1.14787 1.15125 1.15554 1.15815 1.16177 1.16920 1.17134 1.17642 1.18455 1.18739 1.19234 1.19724 1.20759 1.21110 1.22033 1.22419 1.23096 1.23724 1.24357 1.25169 1.25572 1.26591 1.27387 1.28325 1.29011 1.29714 1.30461 1.30990 1.31553 1.33340 1.33703 1.34956 1.35939 1.36106 1.37018 1.38314 1.39210 1.39451 1.40511 1.40828 1.41227 1.43427 1.43702 1.44947 1.45455 1.45670 1.47860 1.49387 1.50315 1.51685 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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 6 6 16 6 6 6 6 6 7 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 1 6 6 6 6 6 6 6 6 6 8 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 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 15479.3313 37997.8752 48007.7144 0.99996 -0.00457 -0.00779 0.00454 0.99998 -0.00334 0.00781 0.00330 0.99996 1 0.00560 0.00228 0.00180 0.11659 0.04750 0.03759 7.22 14.26 21.63 25.59 34.91 43.33 65.92 72.57 75.56 82.07 89.88 126.65 132.29 135.70 170.61 175.23 193.42 201.15 218.75 240.72 254.23 268.16 277.98 313.57 329.26 350.20 376.85 378.70 391.72 393.81 404.17 440.46 449.87 459.31 489.34 515.56 523.61 547.72 561.60 585.13 625.56 652.48 665.21 672.17 677.65 699.85 714.69 732.58 746.32 754.65 771.76 777.70 829.98 831.69 840.10 891.62 968.94 987.36 1010.09 1032.51 1084.73 1107.23 1138.58 1146.32 1175.57 1187.99 1193.15 1204.64 1222.38 1232.40 1238.28 1246.03 1260.05 1267.09 1303.56 1325.60 1334.40 1339.86 1348.13 1366.24 1385.74 1408.72 1454.53 1477.50 1487.29 1506.66 1513.25 1527.99 1539.84 1552.11 1564.54 1566.53 1577.27 1595.77 1599.16 1608.48 1623.04 1628.73 1641.88 1656.30 1671.05 1675.10 1678.89 1683.75 1702.07 1706.09 1727.77 1731.87 1745.00 1766.44 1778.69 1813.24 1835.43 1848.80 1853.11 1861.44 1864.48 1874.57 1894.62 1901.76 1903.18 1915.27 1923.23 1944.39 1950.97 1981.66 1992.14 1995.14 2009.40 2035.19 2052.30 2064.75 2071.24 2077.96 2083.20 2084.85 2100.90 2116.93 2147.34 2159.08 2168.22 2177.32 2207.67 2219.47 2230.17 2234.63 2236.92 2248.80 2252.48 2253.18 2254.12 2275.06 2277.14 2281.45 2326.60 2342.97 2344.20 2347.28 2351.00 2353.09 2358.75 2363.01 2363.22 2368.45 2369.09 2370.23 2375.51 2380.91 2387.52 2397.94 2406.17 2445.04 2469.53 2535.65 2557.18 2576.53 2625.13 2629.23 2756.13 2759.79 4584.63 4596.10 4608.46 4609.52 4611.88 4619.64 4622.17 4651.18 4663.19 4684.31 4697.69 4699.00 4711.17 4711.41 4712.35 4713.34 4720.96 4726.72 4732.24 4734.55 4745.20 4770.59 4785.55 4790.59 4798.21 4804.60 4806.47 4807.94 4821.60 4828.43 4852.24 4864.18 4873.34 4882.49 4900.64 4909.95 5280.30 5371.79 5571.88 0.696597 0.730363 0.731307 0.623733 -1922.048862 -1922.015096 -1922.014152 -1922.121725 3.608016D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2020 DUDE CCSc1c(cccn1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)CCc4ccc(cc4)OC C39675371 RHF 6-31G(d) (6D,10F) C1 511.274288 |X|Y|Z| 84.668476 138.782793 41.570131 78.755263 28 6 7 24 4 |36.858105| |12.480749|36.858105| |6.981769|10.458270|388.023441| |4.574803|6.808363|76.176897|36.858105| |3.529085|4.611014|48.847595|13.562608|36.858105| |2.914107|3.700169|33.509844|7.974250|13.758537|36.858105| |2.857639|3.686424|30.042953|6.974068|7.948792|13.767661|36.858105| |3.366287|4.609080|34.747768|8.362906|7.035702|8.073217|13.812611|36.858105| |4.364915|6.696781|51.078435|14.492853|8.012699|6.931298|7.999337|14.393491|53.358707| |3.279737|3.948246|43.396578|7.505384|12.735859|7.635730|5.058159|4.533208|6.917075|36.858105| |3.365487|3.900633|44.084165|6.310368|8.070514|5.513485|4.106304|3.874616|6.058337|15.841115|73.516695| |2.807993|3.256374|32.081732|5.269060|7.808980|6.384722|4.405482|3.812273|5.482564|13.904295|15.064373|53.358707| |2.721653|3.154057|28.917485|4.780157|6.396268|5.821486|4.330299|3.765786|5.291798|7.612874|9.582013|17.740263|36.858105| |2.557738|2.819217|24.997122|3.694019|4.409605|3.959137|3.209478|2.937873|4.209474|5.391011|7.940977|10.758748|12.150940|36.858105| |2.726681|2.971937|25.643090|3.654174|4.107411|3.634429|3.058865|2.894222|4.219013|4.722615|7.148040|8.209514|8.707060|17.571078|0.500000| |2.592402|2.790047|25.675549|3.571613|4.229960|3.629866|2.922627|2.713581|3.973702|5.784212|9.421739|11.048258|7.711670|12.213887|0.242441|36.858105| |2.523600|2.789196|26.476241|3.917659|5.041865|4.354046|3.319154|2.970422|4.277596|7.859099|12.505838|17.916930|8.100840|7.971489|0.161091|12.367303|36.858105| |3.119651|3.270554|31.014491|3.879461|4.268297|3.449499|2.846887|2.762648|4.226368|5.699335|10.068683|8.706279|5.927847|7.584543|0.210047|12.321264|7.458578|36.858105| |3.011049|3.041125|28.567686|3.420846|3.664524|2.995868|2.518686|2.468750|3.783349|4.851881|9.799764|6.738434|4.242627|4.887086|0.131608|7.437051|6.080433|12.531921|36.858105| |2.459366|2.457686|21.676950|2.720335|2.931514|2.524181|2.160843|2.096580|3.126767|3.709873|7.197532|5.433309|3.584720|4.335793|0.115421|6.454401|5.161996|7.710239|12.612584|53.358707| |2.350392|2.320815|20.200825|2.519663|2.683642|2.328808|2.015327|1.964858|2.926161|3.335952|6.642355|4.725783|3.082378|3.557332|0.094889|4.927341|4.350580|5.687712|9.156179|25.689016|0.500000| |2.422115|2.385523|20.435594|2.549177|2.698535|2.344622|2.037615|1.993344|2.971714|3.294628|6.210700|4.832104|3.353043|4.166910|0.116059|5.724784|4.360494|7.017523|9.200802|25.686537|0.328544|0.500000| |2.171682|2.225971|19.506050|2.590698|2.894612|2.570052|2.177221|2.061728|3.002519|3.696016|6.891299|5.812051|3.845763|4.805978|0.119374|7.505466|6.094501|6.537155|7.545405|17.196047|0.254703|0.255808|36.858105| |2.217670|2.318109|20.295958|2.781206|3.173028|2.844435|2.383226|2.228734|3.218209|4.039033|6.994496|6.937373|4.967656|7.256103|0.168555|12.387145|7.433971|7.652508|6.452789|10.391543|0.157095|0.193317|12.488299|36.858105| |2.132379|2.323539|19.650435|2.951805|3.473708|3.354086|2.819174|2.543865|3.522058|4.007515|6.122645|7.504342|7.567539|12.479492|0.246356|7.356610|5.897792|4.955113|3.736195|4.944044|0.085444|0.098686|4.286104|6.462185|36.858105| |1.951689|2.121134|17.963220|2.718116|3.240710|3.200256|2.681544|2.384593|3.260693|3.792785|5.918191|7.093657|6.199829|8.003777|0.163666|6.484091|6.011355|4.311985|3.498161|4.784886|0.084298|0.093293|4.389142|6.379166|15.783223|73.516695| |2.032264|2.197592|17.883772|2.670102|3.022791|2.962917|2.596129|2.382849|3.279035|3.295518|5.106126|5.682191|5.657563|7.843567|0.211829|5.154586|4.222215|4.054125|3.147961|4.198896|0.073926|0.086603|3.475761|4.815926|14.222174|15.085459|53.358707| |1.763017|1.891804|15.050504|2.252791|2.519484|2.534206|2.278790|2.089846|2.830790|2.692090|4.260061|4.467967|4.106075|4.976257|0.133606|3.823518|3.352202|3.128266|2.583800|3.537784|0.063899|0.073142|2.945382|3.826964|7.699132|11.972614|17.685970|36.858105| |1.696587|1.831519|14.686188|2.230575|2.536099|2.597116|2.320367|2.092878|2.803120|2.721774|4.298182|4.567864|4.104908|4.722451|0.119534|3.742213|3.449796|2.987622|2.510198|3.443920|0.062698|0.069963|2.924894|3.754840|7.465653|13.790941|12.669543|17.626551|0.500000| |1.644072|1.730537|13.668544|1.990260|2.188071|2.163718|1.958577|1.825131|2.500830|2.366347|3.853896|3.833104|3.322013|4.128490|0.113493|3.485497|2.990933|2.928923|2.494656|3.546998|0.064414|0.074804|2.969517|3.776726|5.754978|9.600408|10.534561|12.465700|0.247545|36.858105| |1.711833|1.842511|14.276865|2.156341|2.364421|2.416394|2.239306|2.070816|2.773767|2.431373|3.840163|3.891411|3.572210|3.987279|0.112426|3.104942|2.797234|2.686239|2.245571|3.018232|0.055284|0.062610|2.425838|3.005737|5.216311|8.137293|10.572796|12.443660|0.246488|7.506024|36.858105| |1.760183|1.930665|14.903472|2.325456|2.569912|2.712283|2.548572|2.318469|3.035175|2.561925|3.970889|4.074193|3.808154|3.875344|0.107304|2.979057|2.801216|2.591979|2.166378|2.842625|0.052379|0.058103|2.263394|2.760025|4.782068|7.585256|8.497028|7.392611|0.192491|4.856641|12.405507|36.858105| |1.661762|1.815681|13.633431|2.119547|2.281323|2.418404|2.352767|2.180418|2.833869|2.221901|3.489053|3.404482|3.062538|3.052631|0.086521|2.453556|2.327578|2.216608|1.890425|2.475092|0.046137|0.050814|1.933571|2.286002|3.502257|5.667421|5.849507|4.860468|0.126938|3.756382|7.502918|12.583862|36.858105| |1.747084|1.907014|14.018792|2.164145|2.274629|2.383618|2.359920|2.240002|2.930183|2.179688|3.431740|3.270055|2.934817|2.912610|0.085239|2.353561|2.210298|2.190509|1.865378|2.416962|0.045104|0.049915|1.851609|2.168589|3.169988|5.018017|5.227711|4.023116|0.101924|3.274292|5.680535|7.517708|13.653829|36.858105| |1.622323|1.757954|12.681640|1.943474|2.010758|2.107868|2.126407|2.046903|2.670473|1.913860|3.053148|2.814383|2.446813|2.415904|0.070492|2.018199|1.912825|1.908938|1.656690|2.152748|0.040550|0.044507|1.636065|1.878119|2.579575|4.172596|4.104536|3.164186|0.081814|2.719891|4.170701|5.004011|7.874781|13.840589|36.858105| |1.459517|1.575352|11.402749|1.747876|1.818172|1.920742|1.940613|1.854399|2.403528|1.740296|2.797252|2.556179|2.179638|2.149924|0.061612|1.829726|1.755432|1.719160|1.512691|1.983033|0.037585|0.040872|1.516900|1.725449|2.325160|3.856975|3.636888|2.888876|0.076681|2.530843|3.737095|4.408533|6.785258|7.933946|13.669285|36.858105| |1.407631|1.521568|11.181810|1.722550|1.819630|1.936906|1.935285|1.819107|2.347864|1.759325|2.824535|2.615087|2.227076|2.200748|0.061994|1.872543|1.809688|1.729199|1.523873|2.011919|0.038125|0.041304|1.558621|1.779932|2.442623|4.121725|3.820929|3.150329|0.085620|2.729693|4.132722|4.991399|7.855452|6.897552|7.947673|13.754808|36.858105| |1.489753|1.618511|12.092415|1.874765|2.012775|2.148963|2.110603|1.954565|2.523866|1.963512|3.122513|2.975628|2.583875|2.564303|0.071557|2.136340|2.059916|1.934873|1.685048|2.226834|0.041910|0.045606|1.744839|2.025729|2.934914|4.943094|4.694459|4.009532|0.109913|3.300110|5.616000|7.536708|13.775103|8.024124|6.918834|7.939548|13.700148|36.858105| |1.373078|1.472878|10.530517|1.602473|1.648255|1.734690|1.769623|1.710773|2.221032|1.572834|2.551115|2.280235|1.910718|1.882352|0.054016|1.631644|1.570800|1.551502|1.380785|1.811617|0.034545|0.037376|1.376054|1.545097|2.004075|3.347031|3.076521|2.409812|0.064255|2.170287|2.979223|3.363697|4.590068|5.302520|8.205305|14.156450|7.868626|5.198865|73.516695| |1.252636|1.338943|9.598588|1.458181|1.503995|1.586980|1.618206|1.558881|2.019551|1.442065|2.354046|2.086459|1.724037|1.698833|0.048265|1.492882|1.448332|1.415735|1.272770|1.679856|0.032191|0.034584|1.280238|1.426107|1.816354|3.080503|2.751219|2.176311|0.058928|1.989872|2.625765|2.912629|3.771043|3.988911|5.258245|8.013853|6.715734|4.508636|24.175062|36.858105| |17.567296|8.769434|46.309319|4.236769|3.359746|2.773032|2.690274|3.111316|5.388093|3.208264|6.076440|3.698929|2.564227|2.421131|0.070543|2.518246|2.485429|3.033817|3.050605|3.389817|0.067159|0.067514|2.178299|2.178076|2.029928|3.344302|2.607906|1.671699|0.044963|1.569599|1.610219|1.648417|1.550950|1.614851|1.501726|1.362586|1.322519|1.400423|2.282114|1.178640|0.500000| |17.569485|8.879626|36.643136|3.856512|3.049599|2.613915|2.627354|3.112273|5.296061|2.806236|5.056183|3.344370|2.418983|2.284172|0.067725|2.284820|2.222279|2.682504|2.586300|2.959209|0.057994|0.059940|1.942995|1.988119|1.944655|3.173879|2.555930|1.649314|0.044045|1.542874|1.619056|1.667828|1.594301|1.688355|1.584753|1.427566|1.368503|1.436275|2.405144|1.234899|0.301813|0.500000| |17.557842|8.759653|46.037440|4.257853|3.428193|2.818965|2.709578|3.100458|5.333186|3.297039|5.985157|3.935334|2.844572|2.748108|0.083065|2.791306|2.634426|3.464769|3.308115|3.649458|0.070508|0.074405|2.328513|2.388181|2.266270|3.646188|2.951870|1.864821|0.049410|1.748251|1.803297|1.833662|1.722794|1.815564|1.676804|1.500492|1.445695|1.534995|2.501244|1.279178|0.300780|0.301703|0.500000| |8.795748|17.632485|56.376257|6.517874|4.532743|3.759911|3.838682|4.881705|9.421706|3.782594|6.352787|4.400029|3.271607|2.910334|0.086710|2.778677|2.735430|3.202889|2.876965|3.212452|0.061286|0.064279|2.166662|2.302740|2.407723|3.858647|3.148882|1.986520|0.053068|1.801666|1.960190|2.070950|1.961544|2.088550|1.923587|1.705032|1.632735|1.733860|2.829577|1.435125|0.172383|0.211939|0.210002|0.500000| |8.807223|17.658139|56.593257|6.417093|4.366495|3.645705|3.777789|4.914552|9.699723|3.641981|6.445049|4.070796|2.861481|2.528593|0.072721|2.506892|2.566437|2.851009|2.699828|3.028585|0.058995|0.059644|2.042401|2.111271|2.128905|3.504092|2.740542|1.757604|0.047658|1.607886|1.719201|1.814603|1.718765|1.798820|1.672238|1.510960|1.461622|1.546850|2.524567|1.297822|0.210050|0.212667|0.172422|0.302944|0.500000| |2.544366|3.099057|27.623479|5.653398|8.934493|17.720016|8.905701|5.694783|6.781642|7.084378|9.218795|9.342711|6.153874|4.115728|0.100905|3.757950|4.717849|3.381827|2.943594|3.454920|0.064964|0.065116|2.660818|2.974285|3.617066|6.330578|4.255956|2.697640|0.078484|2.279487|2.537136|2.865477|2.507681|2.412206|2.117880|1.949428|1.996629|2.242134|3.109122|1.608968|0.067953|0.063900|0.069285|0.087187|0.084436|0.500000| |2.480727|3.089324|24.275100|5.008383|5.636788|8.859997|17.755319|8.901595|7.752539|4.104108|6.110929|5.150324|3.797578|2.899167|0.076495|2.626973|2.969618|2.514822|2.245031|2.679544|0.051238|0.051772|2.006461|2.195412|2.644064|4.535747|3.356430|2.214064|0.063227|1.898562|2.201711|2.543962|2.378644|2.366991|2.150827|1.985934|1.991726|2.163587|3.224689|1.667980|0.065245|0.064443|0.065662|0.089633|0.088463|0.212481|0.500000| |3.146416|4.183968|28.922633|5.907596|5.037539|5.690028|8.907710|17.721441|12.741218|3.610750|5.681016|4.282468|3.157800|2.558331|0.070701|2.365575|2.547308|2.411450|2.181335|2.562217|0.049322|0.050092|1.849682|1.988000|2.266361|3.791553|2.940103|1.926681|0.053504|1.694076|1.935646|2.171537|2.085488|2.162982|2.010646|1.829845|1.781535|1.888411|3.032269|1.557423|0.080645|0.083394|0.079814|0.124928|0.128023|0.124320|0.213184|0.500000| |3.050716|3.645268|33.154112|5.704457|7.272951|6.369100|4.885539|4.385388|6.287320|7.270678|9.140814|12.322738|17.658944|8.637339|0.226879|5.986419|5.913621|5.458382|3.947999|4.445692|0.078991|0.086466|3.340160|4.122301|5.829345|8.429414|6.799797|3.721783|0.100540|3.040080|3.426068|3.733571|3.107234|3.083630|2.575164|2.254746|2.260907|2.590215|3.523857|1.770643|0.078014|0.075069|0.088611|0.108208|0.090347|0.168371|0.115072|0.100469|0.500000| |2.409010|2.783704|24.402296|4.151732|5.508445|5.757509|4.384330|3.643927|4.858642|5.979142|7.918307|12.349609|17.612376|8.684521|0.182675|5.889108|6.538637|4.519212|3.492351|4.212482|0.075440|0.080918|3.408116|4.337408|7.689653|12.060772|8.010873|4.464903|0.129635|3.449599|3.907066|4.371924|3.404887|3.158396|2.600337|2.335460|2.426244|2.869138|3.598397|1.829921|0.063264|0.060513|0.069080|0.080657|0.071740|0.185026|0.111545|0.086170|0.302466|0.500000| |2.218363|2.441423|22.190198|3.365863|4.289515|4.007773|3.118197|2.736866|3.823127|5.926084|9.443616|12.497861|7.025693|7.019073|0.140855|8.851894|17.602956|5.479835|4.721318|6.031082|0.106780|0.106600|5.643888|7.027260|6.309389|13.179165|5.953973|3.585058|0.106455|3.177254|2.922382|2.922760|2.393754|2.225670|1.921561|1.781620|1.861399|2.138175|2.822427|1.472046|0.060679|0.055128|0.063902|0.067093|0.063319|0.126536|0.079737|0.066094|0.141560|0.183359|0.500000| |2.550691|2.786110|26.857812|3.830197|4.788732|4.045578|3.134579|2.853124|4.162427|7.629742|14.832111|12.497966|5.800784|5.641503|0.127069|8.540061|17.710303|6.834154|6.747691|7.596684|0.135974|0.124162|6.315184|6.356540|4.461924|8.190340|4.669904|2.836070|0.080905|2.602660|2.418739|2.419612|2.059360|1.971412|1.732678|1.600489|1.644093|1.847472|2.571524|1.341328|0.071207|0.062044|0.073401|0.074163|0.071791|0.119211|0.077792|0.068265|0.131520|0.136304|0.301104|0.500000| |3.685330|3.988173|40.812276|4.900656|5.287782|3.998760|3.259653|3.215788|5.087304|7.085510|12.120937|9.702220|6.483893|6.976562|0.200359|8.679973|6.849465|17.624596|9.044968|7.648728|0.127376|0.144089|4.876672|5.513845|4.503928|6.926393|5.156939|2.941821|0.078278|2.689274|2.605044|2.584609|2.235536|2.236957|1.953386|1.748101|1.745071|1.943236|2.809671|1.436341|0.098098|0.085795|0.113894|0.107962|0.094136|0.104893|0.078004|0.076586|0.180513|0.131854|0.139007|0.176591|0.500000| |3.059411|3.123573|27.762594|3.440442|3.642017|3.038856|2.591745|2.550100|3.883910|4.455775|7.729170|6.733809|5.099060|6.968649|0.225588|8.815499|5.471767|17.498753|8.910354|9.475523|0.144643|0.206545|5.779628|6.959119|4.839714|7.222947|5.736345|3.233419|0.083331|3.092978|2.791551|2.632441|2.263783|2.260947|1.968911|1.760925|1.759757|1.963930|2.825839|1.444002|0.081431|0.074052|0.096802|0.086616|0.075055|0.082384|0.064309|0.062829|0.136406|0.112382|0.123370|0.138227|0.304812|0.500000| |2.966348|3.053434|29.618049|3.605476|3.948537|3.195316|2.645806|2.570394|3.932657|5.494053|12.278086|7.252742|4.199335|4.480638|0.115624|6.660781|6.660730|8.768414|17.657906|12.331466|0.224031|0.180663|6.811782|5.641204|3.500316|6.017899|3.968807|2.430763|0.066805|2.320550|2.123791|2.081496|1.820775|1.787223|1.593297|1.463753|1.480028|1.634752|2.379604|1.239035|0.084972|0.070592|0.087886|0.078919|0.076674|0.087645|0.065272|0.062647|0.107245|0.097257|0.140744|0.238596|0.214132|0.173342|0.500000| |3.316410|3.214375|29.502973|3.325333|3.390909|2.767437|2.384455|2.392790|3.723933|4.228063|8.590089|5.576837|3.640123|4.070865|0.115039|5.434919|4.614491|8.779940|17.629183|12.356629|0.221326|0.226381|5.563105|4.878929|3.197819|5.278183|3.816096|2.337211|0.062570|2.272791|2.075268|2.005790|1.778884|1.776502|1.592364|1.451804|1.451253|1.589776|2.371683|1.229202|0.094572|0.078374|0.103430|0.083284|0.078369|0.074132|0.058996|0.059268|0.098226|0.084566|0.104195|0.139629|0.214318|0.215787|0.301645|0.500000| |2.138501|2.214293|19.661554|2.649677|3.010267|2.681379|2.248513|2.109303|3.056894|3.931303|7.543252|6.114243|3.806623|4.422308|0.106916|6.736565|6.707491|5.730346|6.869659|12.432065|0.225646|0.181369|17.634866|8.750254|3.962513|7.492745|4.331590|2.737529|0.077180|2.704574|2.280610|2.170751|1.860882|1.774933|1.574451|1.467800|1.513043|1.691334|2.371792|1.246201|0.060120|0.053069|0.062751|0.059350|0.057049|0.077958|0.057596|0.052371|0.090955|0.094913|0.176239|0.215765|0.127454|0.133246|0.202728|0.141778|0.500000| |1.962350|1.991217|16.964350|2.259928|2.489230|2.253710|1.944955|1.848227|2.670518|3.059442|5.666345|4.726951|3.232168|3.982398|0.101656|5.464310|4.623636|4.916252|5.561051|12.369772|0.222454|0.225757|17.624729|8.765179|3.787471|7.006728|4.352877|2.810768|0.077513|2.936093|2.318370|2.133077|1.836295|1.753920|1.559911|1.455920|1.499759|1.672624|2.356061|1.238905|0.054743|0.049332|0.058355|0.054028|0.051088|0.064889|0.050327|0.046561|0.079357|0.081915|0.125782|0.131501|0.107801|0.130068|0.141089|0.126482|0.301557|0.500000| |2.178627|2.246808|19.134594|2.587382|2.871087|2.589295|2.218176|2.102111|3.040617|3.492805|6.008921|5.777925|4.426620|6.679325|0.174651|8.774250|5.447222|6.888273|5.677460|9.339546|0.143398|0.203099|8.883222|17.499577|6.255974|10.158091|6.966318|4.054421|0.105845|4.195792|3.167379|2.814169|2.339916|2.235867|1.934045|1.767885|1.815019|2.062168|2.813290|1.455419|0.058977|0.054644|0.065952|0.062602|0.056521|0.074194|0.057000|0.052582|0.106793|0.108510|0.143606|0.132398|0.140510|0.206285|0.131100|0.128472|0.173027|0.215314|0.500000| |2.008878|2.117189|18.264562|2.581956|2.985838|2.769210|2.326806|2.142278|3.033712|3.721719|6.336008|6.521280|4.741710|6.547100|0.146075|8.773160|6.891496|5.528076|4.846793|7.600032|0.126930|0.142901|8.990278|17.639776|7.021554|14.437534|6.869167|4.180832|0.118524|4.140071|3.168552|2.890816|2.359632|2.193051|1.894165|1.757083|1.836195|2.108910|2.785167|1.453542|0.054804|0.050515|0.059357|0.058695|0.054246|0.082359|0.060390|0.053320|0.107032|0.122539|0.214315|0.160615|0.122664|0.141451|0.126417|0.107357|0.213691|0.212538|0.303868|0.500000| |2.162042|2.331736|18.723784|2.760249|3.050504|2.944223|2.614198|2.445986|3.403379|3.260932|5.054704|5.442587|5.487951|7.517962|0.243612|4.903626|3.917775|4.154584|3.166133|4.141809|0.072826|0.086815|3.288863|4.432923|9.442799|10.869285|26.057669|8.995574|0.181756|6.455595|7.289849|5.994838|4.375519|4.141062|3.215667|2.768064|2.830057|3.415144|4.166914|2.065897|0.056013|0.055569|0.064718|0.069026|0.058741|0.084084|0.068393|0.061753|0.144979|0.149946|0.107780|0.090036|0.109941|0.124745|0.080220|0.079804|0.082917|0.083854|0.134795|0.121731|0.500000| |1.679147|1.751890|13.691077|1.964494|2.125191|2.077149|1.894576|1.790206|2.474432|2.284036|3.741256|3.636554|3.151643|3.953696|0.114444|3.356117|2.813033|2.933888|2.492467|3.538983|0.064179|0.076096|2.879200|3.613831|5.075139|8.004687|9.424690|8.778393|0.173616|17.534325|6.810051|4.459493|3.627123|3.303625|2.764223|2.532384|2.665150|3.146989|3.887922|1.987794|0.044347|0.043892|0.049980|0.050866|0.044967|0.059874|0.050743|0.046314|0.082148|0.088508|0.080738|0.068678|0.074886|0.088532|0.063507|0.063940|0.071838|0.079287|0.115546|0.105191|0.183761|0.500000| |1.507389|1.583988|12.387111|1.810463|1.980936|1.980844|1.813965|1.690180|2.298739|2.118986|3.473564|3.376823|2.864462|3.388760|0.092593|2.944451|2.616356|2.518907|2.197746|3.130368|0.057773|0.065704|2.605556|3.180672|4.493432|7.908428|7.620693|8.808266|0.212923|17.565684|6.829310|4.558818|3.685222|3.151865|2.674011|2.554176|2.809569|3.387391|3.904160|2.040617|0.040088|0.039532|0.044257|0.045750|0.041187|0.058098|0.049323|0.043915|0.073534|0.083667|0.077711|0.064317|0.064974|0.073117|0.057442|0.056093|0.066980|0.072431|0.095889|0.097244|0.135244|0.301321|0.500000| |1.651706|1.731756|13.857305|2.000861|2.214824|2.169101|1.940188|1.804701|2.487580|2.448935|4.030224|4.004298|3.378552|4.324647|0.115206|3.833407|3.247785|3.137332|2.700454|3.945102|0.071253|0.083085|3.417308|4.427595|6.093981|10.849232|9.602142|8.812124|0.214515|17.568494|5.476978|4.031525|3.177495|2.818312|2.383511|2.230113|2.391440|2.837895|3.451657|1.795652|0.044111|0.042828|0.048827|0.049609|0.044679|0.063776|0.051986|0.046301|0.083960|0.096081|0.097168|0.078545|0.078124|0.091402|0.069621|0.067440|0.085388|0.095302|0.138201|0.140260|0.159277|0.300321|0.301509|0.500000| |1.560383|1.667824|12.819811|1.926395|2.098801|2.154031|2.016002|1.869938|2.496233|2.156301|3.452362|3.399903|3.005671|3.308537|0.092339|2.704223|2.474814|2.363845|2.024709|2.755533|0.051016|0.057212|2.218182|2.683143|4.216881|6.988572|7.684733|8.929521|0.209862|7.115636|17.554184|8.868607|6.912568|5.114266|4.018991|3.808505|4.395726|5.990616|5.416201|2.741230|0.040982|0.041216|0.045486|0.049032|0.043524|0.062933|0.055546|0.048970|0.079998|0.090940|0.072360|0.060448|0.063472|0.068041|0.053468|0.052253|0.058209|0.059751|0.078418|0.079272|0.146175|0.176434|0.212965|0.143595|0.500000| |1.767882|1.888667|14.456083|2.150282|2.314720|2.328455|2.174536|2.047374|2.773213|2.367668|3.761014|3.728059|3.417804|3.881935|0.115214|3.034885|2.670346|2.710617|2.255204|3.020086|0.055227|0.063459|2.378649|2.928595|4.751314|7.138616|9.655641|8.835738|0.173906|6.768728|17.487599|8.808291|6.885312|6.087330|4.447219|3.805480|3.974464|5.044184|5.440374|2.643148|0.045913|0.046597|0.052132|0.056194|0.048629|0.066662|0.058890|0.053355|0.093666|0.099960|0.075695|0.064654|0.073244|0.080029|0.058562|0.058548|0.061448|0.063209|0.087629|0.083454|0.216159|0.200655|0.165918|0.139396|0.305068|0.500000| |1.950226|2.167554|16.874744|2.673684|2.979686|3.147791|2.929901|2.649756|3.469887|2.937328|4.457228|4.719652|4.655835|4.575290|0.127784|3.345260|3.138014|2.908315|2.375129|3.054585|0.055872|0.062168|2.412960|2.976707|5.433023|8.152429|9.501313|6.762283|0.173639|4.464267|8.819189|17.534995|8.917859|7.089664|4.718305|3.969741|4.216140|5.697306|5.549581|2.681392|0.050388|0.051024|0.056502|0.065120|0.056220|0.091806|0.080256|0.068114|0.129727|0.150731|0.089496|0.074196|0.081833|0.081630|0.063334|0.060904|0.064315|0.062169|0.083622|0.085222|0.195350|0.116440|0.111271|0.107112|0.173713|0.209776|0.500000| |1.679296|1.847225|14.388683|2.269233|2.547812|2.740225|2.561322|2.286514|2.958971|2.552974|3.958772|4.089129|3.733114|3.701131|0.098342|2.914310|2.827963|2.489860|2.109182|2.781877|0.051527|0.056283|2.246275|2.720451|4.666581|7.921793|7.608570|6.827474|0.209700|4.580422|8.865661|17.534342|8.904404|5.645752|4.206286|3.965475|4.718064|7.148450|5.516793|2.781111|0.044016|0.044129|0.048250|0.054522|0.048619|0.082321|0.071994|0.059412|0.098777|0.123460|0.083958|0.067922|0.068737|0.069005|0.056982|0.053887|0.060614|0.058903|0.075567|0.080803|0.139258|0.111564|0.123275|0.109367|0.212707|0.173493|0.304368|0.500000| |1.924708|2.107602|15.463127|2.377811|2.480679|2.562505|2.524531|2.421700|3.206100|2.367809|3.703763|3.549646|3.252338|3.240822|0.097525|2.567315|2.373841|2.416874|2.026230|2.597789|0.048177|0.053832|1.971953|2.327272|3.431814|5.266104|5.720309|4.134341|0.101998|3.345448|5.588580|6.966130|8.886830|17.681619|8.997922|5.653275|4.962107|5.676506|7.630710|3.336286|0.048991|0.051525|0.055946|0.064817|0.054653|0.071076|0.069185|0.064503|0.097268|0.095345|0.065449|0.058503|0.069112|0.069906|0.053538|0.053731|0.052201|0.051508|0.067016|0.064485|0.132188|0.095591|0.086727|0.080543|0.131279|0.177326|0.210921|0.142844|0.500000| |1.656147|1.787517|12.684419|1.928067|1.963209|2.040362|2.077988|2.035201|2.671732|1.855798|2.975405|2.692704|2.320755|2.289166|0.067558|1.931914|1.825505|1.858638|1.619171|2.094345|0.039545|0.043425|1.574220|1.792522|2.386838|3.844805|3.747514|2.813333|0.072433|2.469829|3.553489|4.075590|5.607939|8.897045|17.735697|8.955338|5.666271|4.977324|13.503629|4.874322|0.042372|0.045266|0.047564|0.054697|0.047216|0.056222|0.058074|0.055988|0.068727|0.067368|0.050447|0.046238|0.053148|0.053492|0.043174|0.043580|0.042033|0.041677|0.051397|0.049740|0.082693|0.070689|0.066939|0.060881|0.094290|0.107614|0.111532|0.096731|0.215713|0.500000| |1.308076|1.408843|10.347954|1.589844|1.678967|1.789695|1.791472|1.683287|2.169579|1.628352|2.632670|2.409341|2.018907|1.994469|0.055760|1.724756|1.679304|1.593531|1.419173|1.883183|0.035869|0.038599|1.461363|1.653305|2.211205|3.791688|3.397389|2.811015|0.077700|2.494404|3.532681|4.090580|5.630719|4.968611|5.636471|8.874228|17.761722|8.944670|12.464550|7.427150|0.034304|0.035386|0.037204|0.041743|0.037774|0.051414|0.051468|0.045958|0.056533|0.060994|0.048182|0.042672|0.044548|0.044890|0.038434|0.037576|0.039559|0.039246|0.046682|0.047558|0.069121|0.067247|0.072352|0.061452|0.106614|0.093412|0.097432|0.112512|0.107743|0.124209|0.500000| |1.427610|1.548951|11.683461|1.812454|1.965764|2.107249|2.051251|1.880759|2.424967|1.937775|3.091311|2.957481|2.538835|2.525814|0.069206|2.126424|2.070403|1.900945|1.666479|2.219422|0.041856|0.045273|1.758311|2.038761|2.950947|5.109520|4.642436|4.103300|0.117741|3.392534|5.472344|6.979531|8.934269|5.673920|4.973892|5.661580|8.964017|17.691219|7.462403|3.915153|0.037508|0.038118|0.040789|0.045713|0.041235|0.061883|0.058640|0.050283|0.069350|0.079156|0.060523|0.051605|0.052654|0.053236|0.045113|0.043440|0.047557|0.047006|0.057297|0.059744|0.090853|0.087260|0.099151|0.081553|0.171431|0.128541|0.144393|0.214671|0.124295|0.107907|0.218261|0.500000| |1.212580|1.290887|9.179963|1.387311|1.420037|1.492384|1.529174|1.485522|1.929620|1.358746|2.228836|1.950904|1.599778|1.576025|0.044906|1.396510|1.355130|1.335193|1.206834|1.591758|0.030596|0.032803|1.206447|1.334885|1.667389|2.827496|2.506043|1.959056|0.052941|1.810493|2.319962|2.535302|3.170553|3.416091|4.418307|5.884588|4.899638|3.615522|16.997777|17.653056|0.031700|0.033360|0.034344|0.038423|0.034840|0.041800|0.043722|0.041453|0.045798|0.046804|0.038100|0.035043|0.037695|0.037865|0.032644|0.032521|0.032635|0.032467|0.037858|0.037636|0.052480|0.050537|0.051374|0.045740|0.066728|0.065456|0.065968|0.067215|0.082313|0.121457|0.145434|0.089074|0.500000| 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