Version2.0 2020-07-20T01:40:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cccc(c1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4cccc(c4)n5cccc5 C39694203 RHF 6-31G(d) (6D,7F) CCOc1cccc(c1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4cccc(c4)n5cccc5 C01[X(C29H35N4O3)] 207 C1 610 CCOc1cccc(c1)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cccc(c1)n1cccc1 CCOc1cccc(c1)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cccc(c1)n1cccc1 CCOc1cccc(c1)C(=O)N2C[C@@H](C(=O)NCc3cccc(c3)n4cccc4)C5(CC[NH2+]CC5)C2 InChIKey=OFNGCTGNDAICOA-SANMLTNESA-O InChI=1S/C29H34N4O3/c1-2-36-25-10-6-8-23(18-25)28(35)33-20-26(29(21-33)11-13-30-14-12-29)27(34)31-19-22-7-5-9-24(17-22)32-15-3-4-16-32/h3-10,15-18,26,30H,2,11-14,19-21H2,1H3,(H,31,34)/p+1/t26-/m0/s1 InChI=1/C29H34N4O3/c1-2-36-25-10-6-8-23(18-25)28(35)33-20-26(29(21-33)11-13-30-14-12-29)27(34)31-19-22-7-5-9-24(17-22)32-15-3-4-16-32/h3-10,15-18,26,30H,2,11-14,19-21H2,1H3,(H,31,34)/p+1/t26-/m0/s1/fC29H35N4O3/h30-31H/q+1 CCOc1cccc(c1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4cccc(c4)n5cccc5 C01[X(C29H35N4O3)] 207 C01 610 CCOc1cccc(c1)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cccc(c1)n1cccc1 CCO[C]1[CH][CH][CH][C]([CH]1)C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)NC[C]1[CH][CH][CH][C]([CH]1)N1C=[CH][CH]=C1 CCO[C]1[CH][CH][CH][C]([CH]1)C(=O)N2C[C@@H](C(=O)NC[C]3[CH][CH][CH][C]([CH]3)n4cccc4)C5(CC[NH2]CC5)C2 InChIKey=MFKHIRKUBKSECD-SANMLTNESA-N InChI=1S/C29H35N4O3/c1-2-36-25-10-6-8-23(18-25)28(35)33-20-26(29(21-33)11-13-30-14-12-29)27(34)31-19-22-7-5-9-24(17-22)32-15-3-4-16-32/h3-10,15-18,26H,2,11-14,19-21,30H2,1H3,(H,31,34)/t26-/m0/s1 InChI=1/C29H35N4O3/c1-2-36-25-10-6-8-23(18-25)28(35)33-20-26(29(21-33)11-13-30-14-12-29)27(34)31-19-22-7-5-9-24(17-22)32-15-3-4-16-32/h3-10,15-18,26H,2,11-14,19-21,30H2,1H3,(H,31,34)/t26-/m0/s1/f/h31H 3692.7993809839 -1560.7563386 1-A 28824.5398 130 480 610 |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| -20.65899 -20.62652 -20.60792 -15.86732 -15.68386 -15.68075 -15.67463 -11.45572 -11.45297 -11.45100 -11.43357 -11.38845 -11.38680 -11.37748 -11.37709 -11.37603 -11.36668 -11.36344 -11.35367 -11.35270 -11.35102 -11.32655 -11.32183 -11.31389 -11.31156 -11.30863 -11.30860 -11.30833 -11.30802 -11.30552 -11.30509 -11.30485 -11.30464 -11.28138 -11.26632 -11.26271 -1.50203 -1.49574 -1.48981 -1.48015 -1.37484 -1.36269 -1.33503 -1.25713 -1.23658 -1.23547 -1.21617 -1.16937 -1.14741 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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 9193.4084 46583.2443 49075.7146 0.99998 0.00030 0.00655 -0.00017 0.99981 -0.01931 -0.00656 0.01931 0.99979 1 0.00942 0.00186 0.00176 0.19631 0.03874 0.03677 5.16 10.44 17.74 32.54 47.39 54.16 62.46 80.89 86.24 92.41 136.78 143.08 154.69 161.09 171.18 185.77 203.69 251.16 267.57 294.92 307.31 334.32 350.30 377.71 391.99 409.96 411.23 417.25 444.74 465.39 471.80 486.25 517.26 550.24 558.24 593.58 603.65 621.88 680.99 693.99 701.45 715.94 737.02 744.37 781.76 814.65 847.85 857.42 933.66 965.53 968.63 972.80 1015.76 1025.14 1060.07 1072.82 1104.62 1111.69 1127.26 1160.44 1183.27 1201.33 1219.96 1225.30 1251.05 1266.84 1287.19 1291.88 1294.55 1312.65 1317.76 1338.45 1352.44 1370.57 1372.04 1398.80 1411.99 1443.49 1453.93 1457.95 1463.00 1463.99 1476.65 1489.77 1503.61 1518.90 1529.37 1541.82 1560.24 1564.10 1570.93 1577.26 1604.79 1606.03 1612.95 1616.55 1635.91 1638.42 1676.50 1680.14 1686.01 1690.82 1719.54 1729.74 1737.08 1760.28 1766.90 1769.05 1777.96 1789.00 1809.19 1822.10 1849.61 1869.18 1889.58 1895.95 1906.45 1910.20 1918.01 1933.58 1946.01 1974.92 1977.54 2002.30 2016.83 2031.46 2055.79 2062.99 2080.16 2084.99 2091.81 2093.23 2099.06 2108.68 2134.06 2160.24 2174.75 2186.74 2206.82 2221.66 2225.44 2235.11 2240.40 2245.17 2251.35 2257.41 2276.16 2277.02 2317.76 2322.54 2343.42 2345.26 2360.34 2365.40 2365.48 2382.36 2386.38 2393.01 2394.49 2411.41 2418.11 2418.85 2426.25 2453.63 2495.10 2568.24 2580.39 2606.90 2610.33 2629.84 2771.13 2778.54 4597.32 4616.35 4617.38 4633.87 4659.74 4669.92 4679.50 4687.82 4697.88 4717.88 4723.18 4731.69 4735.84 4743.79 4747.19 4757.54 4765.36 4798.96 4802.74 4811.31 4844.45 4857.41 4857.94 4869.17 4889.09 4892.17 4902.22 4910.82 4922.95 4943.58 4969.75 4981.39 5275.51 5367.05 5570.39 0.653933 0.684714 0.685658 0.584485 -1560.102406 -1560.071625 -1560.070680 -1560.171854 3.393393D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE CCOc1cccc(c1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4cccc(c4)n5cccc5 C39694203 RHF 6-31G(d) (6D,10F) C1 487.270916 |X|Y|Z| 152.863515 58.304396 45.361836 73.943259 31 6 7 27 4 |36.858105| |12.579419|36.858105| |8.065928|13.494142|73.516695| |5.231749|7.967163|25.193072|36.858105| |4.389478|6.665952|13.988713|13.741585|36.858105| |3.333685|4.489661|9.244952|7.938554|13.703016|36.858105| |2.973877|3.774052|8.200639|6.831308|7.898323|13.817719|36.858105| |3.202629|3.974848|9.417788|7.908592|6.862919|7.972589|13.673957|36.858105| |4.098671|5.250609|14.618160|13.670774|7.932960|6.903563|7.916491|13.780071|36.858105| |2.664974|3.106522|7.000201|5.014784|4.456133|5.084804|7.692120|12.693139|7.551416|36.858105| |2.356587|2.714486|5.847042|4.062733|3.834178|4.524946|6.636918|8.085614|5.419378|15.869244|73.516695| |2.576969|2.899443|6.531337|4.346622|3.724696|3.971681|5.255001|7.711728|6.308491|13.944230|15.222611|53.358707| |2.186037|2.391692|5.155352|3.281304|2.920359|3.121615|3.940255|5.012570|4.305743|7.882712|12.741705|17.810121|36.858105| |2.097056|2.242300|4.775812|2.924070|2.589108|2.686238|3.215916|3.951764|3.672350|5.207953|8.193096|10.942581|12.333263|36.858105| |1.877632|1.999576|4.167070|2.541538|2.307173|2.417707|2.860620|3.358278|3.087244|4.304833|7.187483|7.980753|8.763236|17.560963|0.500000| |2.281679|2.465751|5.315267|3.272274|2.878447|2.959776|3.511831|4.335495|4.103040|5.275318|7.696502|11.031558|7.856268|12.273857|0.241990|36.858105| |2.742494|3.045797|6.937494|4.426957|3.687605|3.734910|4.564583|6.319291|6.130596|7.521461|9.456072|17.849974|7.875875|7.936757|0.158362|12.348619|36.858105| |2.063854|2.260633|4.746460|2.982403|2.759250|2.942315|3.505424|4.021821|3.595934|4.801566|7.417630|8.538672|6.261044|7.593693|0.204208|12.307784|7.489341|36.858105| |2.108411|2.320766|4.803769|2.999330|2.829497|2.988340|3.414163|3.746070|3.450526|4.024272|6.191172|6.470969|4.331018|4.883070|0.130328|7.404341|5.986601|12.500554|36.858105| |2.073548|2.222948|4.541998|2.720295|2.525405|2.569074|2.826638|3.123033|3.047692|3.272649|5.074252|5.293795|3.633628|4.366032|0.117208|6.435526|5.068060|7.681082|12.650626|53.358707| |2.061797|2.208795|4.440011|2.638059|2.485087|2.510641|2.695534|2.907042|2.868376|2.946630|4.606012|4.581435|3.102170|3.567686|0.095901|4.899724|4.252726|5.672727|9.168168|25.685081|0.500000| |1.881217|1.997192|4.034015|2.401352|2.244314|2.294813|2.525335|2.766611|2.681362|2.957566|4.703772|4.769179|3.444588|4.246830|0.120003|5.766256|4.328998|7.017098|9.198274|25.674773|0.328380|0.500000| |2.300772|2.424569|5.045403|2.941785|2.624169|2.587508|2.833247|3.261765|3.339186|3.398538|5.138974|5.717734|3.842058|4.825415|0.121605|7.465104|5.983953|6.510732|7.592557|17.196496|0.254235|0.255648|36.858105| 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|1.346416|1.360235|2.672436|1.534871|1.415863|1.432619|1.574936|1.744479|1.717051|1.978841|3.541233|2.987539|2.554782|2.746563|0.079939|2.286956|2.107030|2.074082|1.800988|2.440580|0.045595|0.051270|1.909501|2.244749|3.189664|5.161970|5.575960|5.020167|7.930570|13.723476|36.858105| |1.288345|1.300556|2.546799|1.461026|1.352757|1.368825|1.499229|1.651759|1.625926|1.861521|3.308288|2.824147|2.399474|2.647588|0.078483|2.244539|2.028569|2.060377|1.802249|2.472942|0.046244|0.052575|1.923816|2.248817|3.021977|4.887133|5.184219|4.434831|6.844108|7.922603|13.798664|36.858105| |1.347692|1.360299|2.676976|1.534142|1.413823|1.427424|1.566042|1.736039|1.714010|1.959286|3.436041|3.027487|2.579472|2.965641|0.088956|2.514956|2.217279|2.287704|1.991930|2.773071|0.051468|0.059533|2.173977|2.578191|3.434679|5.507270|5.967949|5.021882|7.896411|6.861210|7.946292|13.690703|36.858105| |1.493402|1.508675|3.003031|1.721040|1.567974|1.578032|1.743510|1.963801|1.947467|2.240100|3.881286|3.544975|3.064245|3.654542|0.108592|3.004065|2.613634|2.636326|2.252009|3.141664|0.057556|0.067093|2.517555|3.094463|4.514969|7.100992|8.458529|7.579554|13.693865|7.950640|6.899208|7.936913|13.755116|36.858105| |1.272201|1.282790|2.508454|1.435200|1.330835|1.343438|1.464428|1.608669|1.588961|1.794878|3.136232|2.759233|2.310737|2.672234|0.080785|2.347408|2.052354|2.180949|1.933496|2.730613|0.051016|0.059376|2.116813|2.457839|2.985515|4.855119|4.885454|3.860847|5.148510|4.550196|5.164494|7.841664|13.509068|7.865753|53.358707| |1.184432|1.188158|2.303213|1.310748|1.220768|1.228370|1.327345|1.446694|1.435739|1.593081|2.786746|2.415629|1.984325|2.248559|0.066894|2.022874|1.800654|1.896210|1.714121|2.429856|0.045971|0.052626|1.876893|2.126336|2.484031|4.139770|3.926290|3.128327|3.959847|3.723909|4.347924|6.257573|7.687174|5.275314|18.897718|36.858105| |1.139313|1.144138|2.209897|1.258254|1.177479|1.185935|1.276999|1.383316|1.371147|1.513886|2.642114|2.289523|1.863807|2.117947|0.063300|1.945068|1.721669|1.851982|1.695585|2.424906|0.046134|0.052996|1.852745|2.065455|2.286681|3.823812|3.514807|2.704728|3.242585|3.011060|3.369871|4.434287|5.320429|4.174412|11.699185|14.066855|36.858105| |1.187994|1.199749|2.328855|1.333003|1.247553|1.261321|1.364922|1.480893|1.460066|1.630351|2.836799|2.488735|2.041094|2.365063|0.072002|2.174981|1.883711|2.089052|1.902331|2.736139|0.051676|0.060676|2.073416|2.326497|2.515727|4.143055|3.853335|2.857969|3.366483|3.012173|3.247803|4.166162|5.320593|4.443008|11.697561|8.513057|13.351472|36.858105| |1.273981|1.290691|2.526452|1.451625|1.350724|1.368316|1.493489|1.635398|1.607328|1.824922|3.175573|2.821256|2.361166|2.785181|0.086033|2.486089|2.123658|2.351993|2.090506|2.982302|0.055526|0.066029|2.280908|2.638306|3.012660|4.849636|4.786535|3.538143|4.342521|3.727379|3.970588|5.263767|7.689037|6.272913|18.893940|8.566923|8.514422|14.067246|36.858105| |17.583877|8.865156|12.918864|4.909979|4.020219|3.148950|2.887625|3.171414|4.066095|2.689932|4.254027|3.548361|2.229505|2.127753|0.052743|2.271265|2.730124|2.028547|2.034040|2.719023|0.054597|0.050702|2.230666|2.215565|2.185192|4.351579|2.643732|1.900013|1.652841|1.560398|1.401921|1.332865|1.388839|1.542404|1.773432|1.212628|1.160273|1.205168|1.296281|0.500000| |17.563499|8.885826|10.238962|4.238443|3.835889|2.999424|2.650562|2.775084|3.393266|2.344410|3.751301|3.075428|1.949928|1.875576|0.047185|2.028332|2.384072|1.862697|1.912783|2.567772|0.052476|0.047882|2.064947|1.996271|1.891171|3.697545|2.306586|1.647760|1.457655|1.378499|1.253444|1.202239|1.253473|1.378463|1.617301|1.112162|1.072576|1.115228|1.189719|0.300571|0.500000| |17.575241|8.859809|12.926960|4.850018|4.005392|3.121438|2.844875|3.110207|3.977659|2.628706|4.091521|3.549153|2.213590|2.166207|0.053771|2.392510|2.860072|2.146533|2.214632|3.017606|0.061508|0.055606|2.500167|2.394557|2.199589|4.398131|2.630071|1.868576|1.628937|1.518548|1.369874|1.317520|1.387533|1.542651|1.789015|1.223227|1.179296|1.232326|1.320328|0.300855|0.300649|0.500000| |8.849114|17.546985|16.507802|6.991376|6.720498|4.548675|3.702148|3.752505|4.714749|2.937426|4.578134|3.744789|2.278427|2.155770|0.053843|2.407920|2.932041|2.252070|2.365982|3.089298|0.063543|0.056362|2.440950|2.308769|2.092071|4.035464|2.501538|1.734609|1.526211|1.431829|1.298366|1.249288|1.310240|1.447449|1.692858|1.153833|1.116977|1.174625|1.258631|0.173418|0.212814|0.212039|0.500000| |8.841893|17.559370|16.526811|7.188468|6.798176|4.638786|3.801524|3.866203|4.871819|3.026767|4.813671|3.747611|2.297769|2.119551|0.052849|2.286301|2.795271|2.118443|2.150826|2.772801|0.056035|0.051303|2.189774|2.148670|2.081314|4.002736|2.515071|1.760843|1.546734|1.467571|1.326230|1.262967|1.312006|1.448050|1.680438|1.145428|1.101236|1.151541|1.238338|0.212183|0.212346|0.173301|0.300872|0.500000| |4.653929|7.363556|12.476388|8.877695|17.765256|8.936469|5.646106|4.950724|5.633045|3.562948|5.632068|4.202306|2.510655|2.272337|0.056971|2.512820|3.102882|2.427867|2.523231|3.127856|0.063666|0.057135|2.378494|2.291171|2.130096|3.984416|2.554461|1.739274|1.536556|1.451721|1.316978|1.261915|1.316040|1.449876|1.694108|1.148711|1.110972|1.173119|1.262489|0.114074|0.117430|0.114910|0.227499|0.221197|0.500000| |2.975605|3.893652|7.455984|5.656367|8.943525|17.722475|8.950137|5.658579|4.968309|4.137966|6.914082|4.541347|2.740201|2.388291|0.060826|2.607297|3.150052|2.653014|2.725940|3.205569|0.064618|0.059030|2.329786|2.278162|2.149557|3.872937|2.601208|1.735731|1.549293|1.471338|1.340365|1.284550|1.334924|1.463297|1.718289|1.159494|1.123142|1.192971|1.287472|0.077748|0.076555|0.077302|0.112646|0.114086|0.217135|0.500000| |2.549260|3.122520|6.510784|4.933806|5.622935|8.901716|17.753524|8.902947|5.643997|7.180521|12.807381|6.707216|3.929024|3.155648|0.079774|3.368248|4.135377|3.504389|3.365218|3.721550|0.072223|0.068818|2.669660|2.730463|2.694259|4.688364|3.226792|2.082837|1.841784|1.741825|1.570188|1.496191|1.557347|1.723007|1.984725|1.320588|1.272260|1.362597|1.490861|0.069174|0.064227|0.068123|0.085815|0.088014|0.124144|0.214453|0.500000| |4.147131|4.894665|13.600898|8.988153|5.669264|4.971070|5.619894|8.859073|17.743719|6.887111|8.881683|9.131448|4.603760|4.031607|0.091634|4.445706|6.872970|3.644619|3.410014|4.228471|0.080127|0.076288|3.553702|3.797900|3.896691|7.805842|4.275491|2.827087|2.319965|2.123413|1.844164|1.739202|1.841717|2.118825|2.307616|1.525954|1.449414|1.541337|1.706365|0.118331|0.093827|0.114812|0.119007|0.123129|0.124412|0.107843|0.123751|0.500000| |2.011949|2.215931|4.682327|3.012687|2.782274|3.064863|3.908888|4.650656|3.822503|7.194922|13.438224|12.368549|17.604263|8.707635|0.224225|6.444118|6.097949|6.298913|4.326801|4.758966|0.083637|0.093435|3.492594|4.302168|5.621830|8.038287|6.622533|3.640806|3.112975|2.819812|2.439548|2.308652|2.459747|2.847156|3.032537|1.920222|1.816347|1.997120|2.296924|0.056591|0.050397|0.056283|0.059294|0.059702|0.066868|0.076194|0.113786|0.108129|0.500000| |2.152412|2.330241|4.987108|3.125326|2.770078|2.927262|3.626749|4.565507|4.047654|6.842382|12.109418|12.338270|17.608830|8.658594|0.190912|5.707790|5.983840|4.639003|3.484760|4.151805|0.073986|0.081217|3.270185|4.150156|7.431300|10.525858|8.622186|4.717729|3.726657|3.369062|2.776647|2.538463|2.679221|3.195613|3.195400|2.016197|1.868438|2.019902|2.347117|0.061880|0.053417|0.060039|0.060872|0.062846|0.066662|0.071735|0.100119|0.122560|0.304251|0.500000| |3.007792|3.258001|7.573265|4.560564|3.619783|3.488830|4.065017|5.604642|6.234826|6.106392|8.053754|12.308693|6.363399|6.763083|0.137300|8.822952|17.629097|5.511818|4.759639|6.082611|0.107207|0.107780|5.737898|7.128061|6.360214|13.560972|5.999775|3.668907|2.886488|2.505580|2.143479|2.053811|2.247952|2.675679|2.816662|1.822148|1.732565|1.879511|2.117473|0.084239|0.071496|0.088375|0.085413|0.081747|0.085633|0.081693|0.100188|0.221793|0.135851|0.151629|0.500000| |2.906578|3.320325|7.621317|5.038430|4.243821|4.303092|5.207286|7.025220|6.807151|7.056887|8.876872|12.397491|5.826286|5.675036|0.126443|8.619844|17.622040|7.066974|6.750872|7.399731|0.131267|0.122579|6.084490|6.255397|4.546012|8.374117|4.732942|2.891885|2.414810|2.143725|1.884077|1.825849|1.984268|2.293207|2.534327|1.653276|1.595139|1.741865|1.935709|0.078468|0.070104|0.084484|0.090857|0.083577|0.097790|0.099361|0.127184|0.191363|0.140511|0.129361|0.302085|0.500000| |2.052230|2.282575|4.796334|3.098247|2.921724|3.226190|3.997496|4.512719|3.784436|5.682933|8.999035|9.562555|6.984343|6.893921|0.185710|8.719502|7.024921|17.590939|9.017543|7.630659|0.127186|0.143489|4.886079|5.509849|4.472323|6.977757|5.047096|2.904759|2.547178|2.266619|2.024696|1.989128|2.169935|2.473129|2.793392|1.792933|1.743243|1.947987|2.187947|0.056119|0.051541|0.058485|0.063054|0.060162|0.070611|0.080867|0.114897|0.103296|0.219343|0.139465|0.140782|0.189444|0.500000| |1.857460|2.006967|4.135962|2.554087|2.386999|2.536909|2.965080|3.318071|3.007244|3.942109|6.416725|6.729610|5.475008|7.075188|0.227168|8.779592|5.487145|17.513262|8.921408|9.384562|0.144090|0.204926|5.680697|6.803473|4.738740|7.176997|5.495736|3.106758|2.781774|2.407545|2.169388|2.186174|2.454521|2.812912|3.219643|2.037208|2.003125|2.298177|2.603103|0.050934|0.046986|0.053613|0.055507|0.052584|0.059268|0.064654|0.083534|0.085236|0.159171|0.118354|0.123271|0.140932|0.304168|0.500000| |2.338682|2.625348|5.499680|3.501253|3.311679|3.495187|3.974321|4.344520|4.010598|4.400208|6.544056|6.806063|4.193152|4.430549|0.113109|6.597603|6.481279|8.727282|17.641862|12.442199|0.225212|0.181230|6.929084|5.685027|3.489500|6.084896|3.915589|2.411780|2.118683|1.888460|1.706296|1.692351|1.851821|2.089951|2.431865|1.596452|1.572253|1.741955|1.905573|0.061976|0.058559|0.068287|0.075120|0.066995|0.081082|0.087336|0.106121|0.107180|0.114431|0.094861|0.141963|0.235978|0.213911|0.173213|0.500000| |1.924335|2.117947|4.292574|2.680501|2.601686|2.792303|3.152824|3.311205|3.008270|3.533104|5.662268|5.392764|3.741484|4.075026|0.113922|5.423607|4.572213|8.773755|17.625831|12.360398|0.222342|0.224614|5.576312|4.887026|3.179157|5.310766|3.738841|2.292511|2.077249|1.855488|1.702687|1.712852|1.882441|2.093345|2.510324|1.645132|1.639783|1.843337|2.006147|0.051479|0.049051|0.055757|0.060397|0.055096|0.065308|0.072470|0.088652|0.081305|0.108237|0.085724|0.104858|0.140590|0.212888|0.217226|0.301677|0.500000| |2.617785|2.785338|5.891532|3.419770|2.998156|2.896892|3.131482|3.642240|3.852866|3.624981|5.343834|5.971059|3.758274|4.410315|0.107634|6.696132|6.538000|5.750596|6.956606|12.423086|0.223876|0.181112|17.624005|8.743131|3.956087|7.595660|4.279009|2.708770|2.318529|2.015613|1.802139|1.795926|2.000468|2.304377|2.630490|1.728914|1.698014|1.873532|2.050527|0.069639|0.064522|0.079953|0.078417|0.068666|0.075087|0.071507|0.080011|0.113701|0.094098|0.089548|0.179684|0.203449|0.128908|0.132290|0.208699|0.143019|0.500000| |2.185888|2.256732|4.594599|2.616171|2.349800|2.293122|2.461509|2.784413|2.889319|2.867855|4.433323|4.680398|3.230064|4.007020|0.104106|5.447940|4.567494|4.889769|5.578544|12.360326|0.222899|0.224229|17.627488|8.772256|3.769442|7.083481|4.262286|2.735475|2.400286|2.054939|1.858864|1.892173|2.152105|2.473366|2.893580|1.901265|1.893214|2.119608|2.303057|0.058864|0.054985|0.066529|0.063267|0.056603|0.060172|0.058018|0.064629|0.085630|0.082317|0.078872|0.127777|0.127569|0.107690|0.127647|0.143027|0.126469|0.301272|0.500000| |1.987190|2.070636|4.280610|2.506907|2.246285|2.258688|2.533838|2.938106|2.915270|3.306434|5.196339|5.818031|4.507866|6.836735|0.186118|8.803372|5.442534|6.822808|5.696538|9.435031|0.144645|0.207307|8.910280|17.493542|6.130304|10.162515|6.639887|3.839694|3.293047|2.687412|2.376934|2.428057|2.848008|3.431903|3.751573|2.351053|2.301046|2.649795|3.036947|0.054902|0.049882|0.058780|0.056666|0.053203|0.056493|0.056912|0.068074|0.087815|0.112314|0.106800|0.144717|0.131386|0.139265|0.199656|0.131816|0.128530|0.173093|0.215576|0.500000| |2.368088|2.440865|5.183489|2.964938|2.546618|2.482878|2.765324|3.340961|3.507717|3.659528|5.514183|6.611110|4.677101|6.604544|0.151091|8.792346|6.890461|5.518112|4.863990|7.619141|0.126914|0.143989|8.989026|17.653206|7.012633|14.762431|6.757513|4.101199|3.281383|2.692907|2.326790|2.312972|2.655322|3.242776|3.404272|2.169857|2.085047|2.315461|2.631181|0.065869|0.058312|0.071073|0.065813|0.061664|0.063554|0.061303|0.071920|0.111384|0.108643|0.114026|0.218303|0.157513|0.123004|0.139348|0.127300|0.107530|0.212552|0.212708|0.304072|0.500000| |1.752202|1.822979|3.743519|2.220544|2.003915|2.060304|2.375774|2.767005|2.641029|3.422704|5.961209|5.798190|5.934029|7.525310|0.234718|4.766934|3.973921|3.966386|3.052360|3.982630|0.070408|0.083152|3.167704|4.225378|9.402032|10.872320|26.050747|9.030985|7.405295|5.569856|4.293166|4.006201|4.546731|6.148406|5.046457|2.939681|2.635278|2.919113|3.671674|0.050190|0.044260|0.049865|0.048345|0.048675|0.050178|0.052200|0.065745|0.080191|0.146231|0.177525|0.107957|0.090851|0.105851|0.116331|0.078057|0.076836|0.080826|0.080655|0.125117|0.117959|0.500000| |1.874254|1.897206|3.878047|2.221734|1.962081|1.955179|2.194161|2.578817|2.600917|3.016298|5.184069|4.830287|4.196193|4.541157|0.117341|3.502849|3.361806|2.849009|2.385287|3.197268|0.058466|0.064902|2.648863|3.326016|6.629694|11.097433|12.371857|17.580917|8.884609|7.307550|4.774223|3.980483|4.184251|5.599498|4.467974|2.759807|2.398333|2.490115|2.993145|0.055080|0.047192|0.053149|0.049258|0.050818|0.049576|0.049302|0.059155|0.081760|0.099655|0.137026|0.100138|0.078540|0.076682|0.078651|0.063931|0.059926|0.070735|0.069411|0.092384|0.101840|0.198680|0.500000| |1.884357|1.886149|3.847089|2.171887|1.910210|1.883040|2.087777|2.447550|2.513075|2.789541|4.649843|4.582012|3.834848|4.646251|0.120727|3.778735|3.455063|2.994835|2.541810|3.550040|0.064514|0.072795|3.042416|3.920211|7.286384|13.372354|12.577849|17.632436|8.859189|5.837556|4.289496|3.982467|4.642555|6.856132|5.100323|3.099145|2.707037|2.849916|3.466371|0.054833|0.047423|0.054437|0.049417|0.049746|0.048540|0.047516|0.055864|0.079419|0.091103|0.114228|0.105243|0.080866|0.077360|0.083595|0.067292|0.063204|0.079411|0.081608|0.111966|0.125812|0.181800|0.303632|0.500000| |1.539096|1.557893|3.098667|1.782258|1.622228|1.636418|1.815560|2.049091|2.025239|2.358341|4.227058|3.572201|3.086949|3.203716|0.089369|2.583142|2.453654|2.268352|1.941285|2.591661|0.048165|0.053447|2.060779|2.463383|3.906303|6.355770|7.000026|6.991167|8.909858|17.714817|8.913719|5.644318|4.945715|5.645735|4.927644|3.088289|2.575865|2.576269|3.089489|0.045007|0.039458|0.043254|0.040817|0.042305|0.041562|0.042092|0.049932|0.061299|0.079469|0.098245|0.070297|0.059854|0.062175|0.064262|0.051761|0.050250|0.054837|0.054817|0.070306|0.072169|0.143327|0.223929|0.149982|0.500000| |1.287549|1.300538|2.540323|1.459164|1.353264|1.371102|1.501783|1.650840|1.622326|1.861569|3.360811|2.764941|2.339263|2.451692|0.070872|2.067955|1.934197|1.895664|1.660006|2.236519|0.042053|0.046792|1.738270|2.014518|2.786228|4.563624|4.694605|4.092144|5.645453|8.914689|17.726545|8.954346|5.652535|4.966311|5.693917|3.756884|2.996895|2.847592|3.341374|0.037298|0.033421|0.036220|0.034462|0.035403|0.035075|0.035776|0.041701|0.048125|0.062623|0.070916|0.054543|0.048450|0.051888|0.054759|0.043954|0.043828|0.045927|0.046968|0.058666|0.057801|0.100478|0.113489|0.099082|0.215329|0.500000| |1.201142|1.211956|2.357434|1.351862|1.259986|1.276566|1.391134|1.518606|1.492737|1.697852|3.029294|2.546716|2.138986|2.332601|0.069206|2.015408|1.831062|1.879703|1.663756|2.283793|0.043013|0.048648|1.759336|2.022033|2.596038|4.239712|4.295910|3.548050|4.939051|5.637221|8.916826|17.739994|8.908637|5.649275|9.782830|6.700366|4.702931|4.185933|4.950664|0.034443|0.031277|0.034077|0.032434|0.032765|0.032788|0.033448|0.038675|0.044052|0.057805|0.062388|0.051284|0.046267|0.050596|0.055468|0.043455|0.044284|0.045731|0.048266|0.060537|0.057370|0.092385|0.090592|0.090612|0.124124|0.215422|0.500000| |1.543201|1.557869|3.110374|1.778531|1.614746|1.619816|1.787524|2.020645|2.013741|2.293975|3.915759|3.685616|3.151486|3.935137|0.117234|3.302061|2.796142|2.864132|2.450836|3.491307|0.063486|0.075282|2.834958|3.540764|4.895847|7.755037|8.688437|7.034471|8.896546|5.650505|4.966588|5.650957|8.948721|17.720417|9.843745|4.977286|4.206839|4.725482|6.735906|0.044058|0.039479|0.044598|0.041671|0.041253|0.041451|0.041629|0.048864|0.061040|0.080669|0.088808|0.079755|0.068004|0.072978|0.085571|0.062593|0.062819|0.070837|0.078176|0.112504|0.103571|0.167322|0.141193|0.197959|0.124060|0.107768|0.124344|0.500000| |1.162965|1.162373|2.246467|1.274171|1.186247|1.190632|1.282771|1.397151|1.391449|1.532781|2.687593|2.308297|1.885937|2.105493|0.061843|1.893382|1.711249|1.766110|1.601170|2.258954|0.042906|0.048487|1.752254|1.977044|2.344472|3.950183|3.701914|3.027916|3.850406|3.789870|4.589773|6.545438|6.918464|4.835107|12.193698|17.814618|8.640707|5.788010|5.893252|0.033190|0.030383|0.033289|0.031271|0.031202|0.031066|0.031235|0.035400|0.041124|0.050555|0.053737|0.048364|0.043695|0.046685|0.052149|0.041757|0.042630|0.045264|0.049207|0.059839|0.056484|0.076387|0.075732|0.083373|0.087922|0.112790|0.207464|0.122023|0.500000| |1.079869|1.081836|2.077984|1.180093|1.108071|1.114350|1.193536|1.286178|1.277556|1.396835|2.439201|2.095972|1.688541|1.897833|0.056266|1.764639|1.577641|1.689968|1.565161|2.241180|0.042988|0.048835|1.706264|1.874273|2.034220|3.437625|3.076867|2.366335|2.771070|2.620204|2.922167|3.691230|4.168070|3.412279|7.976458|8.804314|17.791847|8.503056|5.819229|0.030516|0.028341|0.031040|0.029388|0.028953|0.029154|0.029406|0.033024|0.037397|0.045816|0.046986|0.044141|0.040902|0.044329|0.050481|0.040509|0.042222|0.043690|0.048627|0.057471|0.052565|0.063780|0.059224|0.066157|0.063538|0.074079|0.110709|0.095478|0.197577|0.500000| |1.161587|1.175315|2.275614|1.304227|1.225906|1.241259|1.339899|1.445929|1.422984|1.584088|2.752190|2.410825|1.961335|2.270810|0.069293|2.127848|1.836132|2.077425|1.915200|2.773823|0.052667|0.062099|2.074118|2.289665|2.365049|3.907247|3.538001|2.567258|2.919724|2.621224|2.774965|3.406796|4.167443|3.695534|7.973876|5.818755|8.505195|17.785956|8.798999|0.032590|0.030346|0.033516|0.032106|0.031303|0.032081|0.032702|0.037213|0.041519|0.053655|0.053355|0.050597|0.047559|0.053636|0.063879|0.048496|0.051981|0.051839|0.059259|0.072768|0.062566|0.074476|0.062689|0.071407|0.063545|0.068752|0.095091|0.111051|0.122917|0.195028|0.500000| 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