Version2.4 2021-06-09T04:32:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(nn1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cc(cc5)C#N)C C44714687 RHF 6-31G(d) (6D,7F) Cc1cc(nn1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cc(cc5)C#N)C C01[X(C27H34N7O2)] 204 C1 608 N#Cc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1nn(c(c1)C)C)c([nH]2)C N#Cc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1nn(c(c1)C)C)c([nH]2)C Cn1nc(cc1C)C(=O)N2C[C@@H](C(=O)NCCc3c(C)[nH]c4ccc(cc34)C#N)C5(CC[NH2+]CC5)C2 InChIKey=FJOQRTRNVTWVPI-QFIPXVFZSA-O InChI=1S/C27H33N7O2/c1-17-12-24(32-33(17)3)26(36)34-15-22(27(16-34)7-10-29-11-8-27)25(35)30-9-6-20-18(2)31-23-5-4-19(14-28)13-21(20)23/h4-5,12-13,22,29,31H,6-11,15-16H2,1-3H3,(H,30,35)/p+1/t22-/m0/s1 InChI=1/C27H33N7O2/c1-17-12-24(32-33(17)3)26(36)34-15-22(27(16-34)7-10-29-11-8-27)25(35)30-9-6-20-18(2)31-23-5-4-19(14-28)13-21(20)23/h4-5,12-13,22,29,31H,6-11,15-16H2,1-3H3,(H,30,35)/p+1/t22-/m0/s1/fC27H34N7O2/h29-30H/q+1 Cc1cc(nn1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cc(cc5)C#N)C C01[X(C27H34N7O2)] 204 C01 608 N#Cc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1nn(c(c1)C)C)c([nH]2)C N#C[C]1[CH][CH][C]2[C]([CH]1)[C](=C(N2)C)CCNC(=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][C]([N]([N]1)C)C C[C]1[CH][C]([N]N1C)C(=O)N2C[C@@H](C(=O)NCCC3=C(C)N[C]4[CH][CH][C]([CH][C]34)C#N)C5(CC[NH2]CC5)C2 InChIKey=INMUMOBYPDEPLR-QFIPXVFZSA-N InChI=1S/C27H34N7O2/c1-17-12-24(32-33(17)3)26(36)34-15-22(27(16-34)7-10-29-11-8-27)25(35)30-9-6-20-18(2)31-23-5-4-19(14-28)13-21(20)23/h4-5,12-13,22,31H,6-11,15-16,29H2,1-3H3,(H,30,35)/t22-/m0/s1 InChI=1/C27H34N7O2/c1-17-12-24(32-33(17)3)26(36)34-15-22(27(16-34)7-10-29-11-8-27)25(35)30-9-6-20-18(2)31-23-5-4-19(14-28)13-21(20)23/h4-5,12-13,22,31H,6-11,15-16,29H2,1-3H3,(H,30,35)/t22-/m0/s1/f/h30H 3858.8137057232 -1572.9449492 1-A 21560.4784 130 478 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62119 -20.59107 -15.85776 -15.70617 -15.67741 -15.67491 -15.66665 -15.65364 -15.62334 -11.44549 -11.44325 -11.44254 -11.41950 -11.37688 -11.37576 -11.36654 -11.36086 -11.35515 -11.35440 -11.35043 -11.34632 -11.34148 -11.33033 -11.33002 -11.32898 -11.32362 -11.32156 -11.31692 -11.31627 -11.31392 -11.30697 -11.30658 -11.30224 -11.29572 -11.28282 -11.26946 -1.49233 -1.48985 -1.46820 -1.45529 -1.38085 -1.34846 -1.32677 -1.28227 -1.24665 -1.22327 -1.20599 -1.20077 -1.17328 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14346.2678 25787.1508 37564.5895 0.99995 -0.00980 0.00199 0.00980 0.99995 0.00180 -0.00201 -0.00178 1.00000 1 0.00604 0.00336 0.00231 0.12580 0.06999 0.04804 21.91 34.46 35.93 51.89 53.35 69.52 90.40 98.29 111.22 122.86 129.72 141.87 151.61 174.32 177.56 208.48 211.78 231.99 240.87 249.80 260.66 271.14 289.32 327.97 341.35 348.05 374.07 395.58 399.47 417.50 431.29 445.83 469.90 501.47 504.61 526.46 542.30 575.79 609.54 613.57 620.99 637.63 671.33 691.63 696.96 707.17 752.15 757.32 786.07 809.69 827.55 847.78 937.94 948.09 980.94 982.08 993.69 1001.94 1034.45 1054.02 1067.97 1099.13 1104.80 1145.74 1201.29 1213.99 1220.70 1236.78 1244.70 1253.82 1263.89 1273.67 1311.13 1330.88 1347.90 1352.79 1354.27 1366.87 1402.16 1454.55 1464.86 1477.09 1493.48 1520.90 1546.32 1557.81 1559.68 1566.26 1574.38 1582.35 1630.10 1636.13 1639.69 1645.14 1674.76 1688.80 1694.18 1696.44 1697.42 1701.82 1763.21 1764.94 1776.55 1802.52 1811.02 1816.06 1846.41 1850.60 1871.84 1899.40 1909.16 1915.24 1932.24 1939.36 1940.97 1965.48 1974.48 1990.77 1993.56 2031.65 2055.16 2068.17 2083.88 2087.90 2093.49 2101.54 2106.09 2119.48 2133.62 2162.41 2176.68 2201.77 2220.97 2230.73 2240.36 2241.43 2251.97 2256.90 2258.55 2259.87 2276.09 2293.61 2311.65 2326.34 2332.06 2337.70 2340.29 2344.85 2353.22 2355.12 2360.34 2361.19 2365.70 2368.41 2372.15 2378.51 2387.21 2403.61 2406.10 2411.61 2424.82 2444.38 2518.09 2532.63 2577.10 2629.22 2631.03 2761.18 2792.47 3727.74 4578.91 4591.22 4610.01 4615.57 4624.84 4646.75 4660.04 4673.81 4680.94 4683.56 4690.41 4690.89 4715.03 4718.53 4724.08 4736.33 4747.26 4749.15 4761.90 4765.10 4770.96 4796.87 4802.43 4807.08 4816.01 4828.61 4861.35 4866.37 4892.07 4997.12 5278.33 5370.32 5566.88 5614.68 0.640475 0.672659 0.673603 0.574408 -1572.304474 -1572.272290 -1572.271346 -1572.370541 3.327017D-04 MUNgauss RevisionA2.1 retrievium 09-Jun-2021 DUDE Cc1cc(nn1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c([nH]c5c4cc(cc5)C#N)C C44714687 RHF 6-31G(d) (6D,10F) C1 488.277399 |X|Y|Z| 85.639534 115.367992 30.269100 66.873345 29 6 7 23 6 |36.858105| |12.728980|36.858105| |7.311206|13.943781|36.858105| |5.189392|8.700701|13.552943|36.858105| |5.232202|8.571785|8.495691|14.548622|53.358707| |7.625203|14.113766|8.762900|9.091656|19.599038|53.358707| |6.269452|7.592925|5.305136|5.479691|10.790170|17.895090|36.858105| |3.756190|5.251387|7.457902|12.829572|10.478517|7.330010|3.932702|36.858105| |3.471708|4.559385|6.600700|8.169985|7.348973|5.877631|3.283594|15.827078|73.516695| |3.107502|4.103938|5.054080|7.701482|8.852489|6.165128|3.601444|13.959398|15.242206|53.358707| |2.981161|3.865449|4.318731|6.283548|9.094491|6.277098|3.903593|7.499336|9.408654|17.815981|36.858105| |2.423022|2.972398|3.281432|4.270162|5.915411|4.596244|3.011302|5.186967|7.542157|10.985468|12.315487|36.858105| |2.247301|2.703333|2.891830|3.655222|5.283504|4.233432|2.886083|4.168904|6.209186|7.959330|8.738473|17.545793|0.500000| |2.254355|2.737108|3.113173|3.953863|5.123898|4.066845|2.626986|5.225768|8.226778|11.011743|7.853421|12.295589|0.241529|36.858105| |2.563762|3.194010|3.854711|5.035793|5.925242|4.599931|2.826038|7.931781|12.860364|17.858708|7.858545|7.936752|0.158135|12.382093|36.858105| |2.135665|2.563805|2.852416|3.566123|4.772735|3.846508|2.541287|4.451543|7.101460|8.441539|6.252537|7.591740|0.203209|12.304867|7.507952|36.858105| |1.940881|2.283052|2.555371|3.057625|3.974448|3.320755|2.197359|3.798116|6.538012|6.437408|4.336149|4.885576|0.129846|7.412821|6.031213|12.500298|36.858105| |1.743923|2.017764|2.247118|2.620619|3.395950|2.898701|1.935484|3.204275|5.644778|5.289754|3.634888|4.362582|0.116631|6.441976|5.110290|7.674678|12.646668|53.358707| |1.647542|1.886288|2.098064|2.399641|3.091374|2.679023|1.793316|2.896092|5.222233|4.585536|3.106685|3.567960|0.095529|4.908009|4.291783|5.671500|9.171376|25.688543|0.500000| |1.655314|1.902142|2.085948|2.423488|3.204876|2.755769|1.867924|2.882576|4.985983|4.754255|3.435951|4.230167|0.119004|5.757624|4.349144|7.000043|9.198271|25.681344|0.328314|0.500000| |1.800187|2.090378|2.358774|2.750052|3.496829|2.975295|1.963247|3.443139|6.146434|5.738904|3.848729|4.831234|0.121365|7.483346|6.042344|6.510229|7.583037|17.189508|0.254227|0.255729|36.858105| |1.946942|2.292006|2.575666|3.088137|3.990363|3.326272|2.192583|3.881702|6.561058|6.967578|4.979855|7.342808|0.174514|12.385770|7.412628|7.619866|6.482462|10.454802|0.157554|0.195701|12.517359|36.858105| |2.360289|2.841203|3.117290|3.866548|5.266047|4.288468|2.828640|4.504309|6.830805|8.216037|7.661021|12.459200|0.247140|7.337660|6.095981|4.890409|3.708582|4.897345|0.084770|0.097738|4.246921|6.331660|36.858105| |2.300055|2.741467|3.077549|3.699888|4.784168|3.985329|2.587628|4.441860|7.112648|7.615254|5.911459|7.927482|0.165493|6.577572|6.212089|4.329803|3.529980|4.838406|0.085111|0.094412|4.463121|6.473067|15.836439|73.516695| |2.302205|2.718071|2.863502|3.450794|4.941852|4.171708|2.865237|3.710064|5.645893|6.245820|6.062022|7.862041|0.208011|5.042785|4.340226|3.914426|3.060200|4.045403|0.071619|0.082832|3.347326|4.562022|14.137698|15.135932|53.358707| |2.252353|2.593923|2.697948|3.105407|4.391398|3.884749|2.696113|3.229057|5.063008|5.038508|4.439590|5.039096|0.132173|3.782409|3.515028|3.047354|2.521072|3.388484|0.061521|0.069057|2.816765|3.606497|7.794415|12.216639|17.754360|36.858105| |2.144517|2.411184|2.422280|2.727334|3.985406|3.651430|2.649663|2.724204|4.288300|4.136080|3.661968|3.947449|0.110657|3.056296|2.835250|2.622011|2.198846|2.935509|0.053925|0.060543|2.359344|2.903045|5.104180|7.937121|10.542227|12.426507|36.858105| |2.123897|2.327806|2.309703|2.511340|3.628968|3.446271|2.520150|2.457349|3.939196|3.583731|3.025785|3.122522|0.085600|2.549505|2.455465|2.217308|1.910683|2.556549|0.047657|0.052333|2.051993|2.442825|3.878787|6.487606|6.876796|7.556757|12.678927|36.858105| |1.879993|2.023376|2.012918|2.151311|3.062252|2.940805|2.153980|2.122164|3.470755|3.065468|2.518077|2.628168|0.072359|2.226783|2.146712|1.959675|1.722725|2.334950|0.043916|0.047952|1.873053|2.186796|3.193996|5.518820|5.340474|5.411231|7.376271|14.074933|36.858105| |1.896962|2.003177|1.973025|2.063021|2.923921|2.870008|2.112430|2.004304|3.305486|2.829714|2.279102|2.315046|0.063122|1.998718|1.968235|1.774903|1.578232|2.128697|0.040349|0.043441|1.699746|1.950115|2.741229|4.811307|4.383567|4.193372|5.144779|8.540035|13.804278|53.358707| |1.753184|1.832806|1.807123|1.873591|2.638027|2.602291|1.916790|1.826345|3.041650|2.565697|2.041960|2.079252|0.056801|1.825579|1.800395|1.633639|1.467801|1.989212|0.037912|0.040628|1.584603|1.796815|2.428018|4.301439|3.797032|3.506148|4.128492|5.988416|9.027193|26.088744|0.500000| |2.165775|2.278122|2.213260|2.294740|3.278010|3.266055|2.414275|2.180824|3.567269|3.035048|2.446520|2.410593|0.065065|2.063966|2.066100|1.831233|1.619724|2.156822|0.040843|0.043721|1.717231|1.972013|2.830674|4.937497|4.499046|4.249910|5.092930|8.304839|8.480438|19.017000|0.251807|36.858105| |2.386760|2.581216|2.510073|2.668422|3.877482|3.795015|2.796131|2.525956|4.043194|3.567652|2.960788|2.898235|0.078051|2.397898|2.385561|2.102022|1.823220|2.407550|0.045157|0.048790|1.920820|2.250938|3.474700|5.895670|5.776739|5.716455|7.306052|13.154635|8.486252|11.662966|0.166147|13.593526|36.858105| |2.870815|3.124613|2.961677|3.131466|4.655434|4.660049|3.458154|2.847150|4.477977|3.936465|3.278253|3.039856|0.080824|2.496671|2.539646|2.197932|1.894202|2.456788|0.046054|0.049397|1.946204|2.274912|3.531018|5.914309|5.685761|5.130109|5.845273|7.303774|5.265202|7.341340|0.119186|7.915403|13.712294|36.858105| |3.070978|3.188721|2.941476|2.966935|4.358066|4.591770|3.452526|2.635807|4.221077|3.522784|2.827778|2.580942|0.068427|2.195454|2.277107|1.963613|1.723344|2.230495|0.042222|0.044644|1.755551|2.006948|2.897646|4.969224|4.425984|3.791938|4.117928|5.011794|4.172386|6.351366|0.109729|6.951949|7.979235|13.768182|36.858105| |2.629202|2.655642|2.486181|2.471292|3.545088|3.722516|2.790991|2.247118|3.683023|3.003969|2.367197|2.217296|0.059141|1.929752|1.993064|1.736786|1.547963|2.026451|0.038628|0.040660|1.595909|1.801465|2.490416|4.352468|3.764759|3.254730|3.560818|4.535205|4.172333|7.031657|0.126410|8.041621|6.846013|7.838079|13.549422|36.858105| |2.243016|2.296875|2.199560|2.221835|3.160072|3.233254|2.405564|2.076421|3.426193|2.825891|2.234858|2.155839|0.057902|1.879694|1.912975|1.685751|1.506544|1.995771|0.038046|0.040260|1.579362|1.786152|2.463528|4.333177|3.777631|3.374001|3.802911|5.245477|5.271183|10.350126|0.185202|13.669506|7.780395|6.745357|7.885503|13.866002|36.858105| |3.883832|3.910860|3.416494|3.330284|4.975211|5.585322|4.287093|2.819632|4.489705|3.653899|2.890494|2.537359|0.066909|2.182673|2.307234|1.977567|1.740404|2.220875|0.042162|0.044180|1.731345|1.959596|2.743572|4.686714|4.050699|3.266399|3.401905|3.784977|3.210504|4.695152|0.084510|4.554238|5.145200|7.833238|13.204576|7.719031|5.107038|36.858105| |4.832999|4.610627|3.789039|3.556334|5.367135|6.455111|5.081773|2.902580|4.624409|3.669954|2.856808|2.451657|0.064552|2.138674|2.288956|1.963307|1.737079|2.194947|0.041814|0.043486|1.696677|1.901015|2.575027|4.395260|3.710509|2.884465|2.942359|3.144196|2.711403|3.894995|0.071525|3.580835|3.982458|5.515652|7.384256|5.423295|3.947680|16.749510|53.358707| |1.653673|1.776701|1.783078|1.909340|2.695653|2.571003|1.878812|1.916431|3.168144|2.793404|2.276412|2.442822|0.068147|2.111525|2.002048|1.872759|1.663501|2.289271|0.043188|0.047429|1.836151|2.128033|2.938799|5.119858|4.814035|4.595351|5.785196|7.338153|12.732325|10.438550|0.194270|5.216494|5.113038|3.750635|3.142596|3.168944|3.844718|2.565946|3.047323|36.858105| |17.568412|8.900431|5.793153|4.511789|6.430523|9.145447|6.225219|3.381189|5.517211|3.936417|2.851714|2.353167|0.060999|2.154633|2.409831|2.024541|1.829763|2.261883|0.043524|0.044101|1.724513|1.879672|2.339184|4.046788|3.166134|2.320017|2.242005|2.260010|1.997589|2.777241|0.052269|2.367726|2.597801|3.190086|3.541342|3.003096|2.494884|4.742309|8.673414|1.737029|0.500000| |17.549784|8.877296|5.759445|4.488503|6.413286|9.153096|6.286282|3.363828|5.542704|3.881593|2.766755|2.266419|0.059211|2.121435|2.376279|2.051812|1.875769|2.283075|0.044177|0.044379|1.709188|1.834881|2.175131|3.736353|2.899699|2.066258|1.990334|1.961034|1.746644|2.392692|0.045339|1.988371|2.179666|2.584977|2.745155|2.382227|2.054635|3.408576|5.695283|1.549636|0.300946|0.500000| |17.610718|8.986193|6.914006|4.693437|5.976399|7.699933|4.655108|3.588322|6.165550|3.988765|2.737037|2.269762|0.058156|2.153236|2.477209|2.031942|1.875369|2.310522|0.044838|0.044555|1.760661|1.882756|2.227216|3.925947|2.925684|2.116674|1.997567|1.989976|1.781992|2.457701|0.046668|2.046422|2.223500|2.622969|2.813893|2.470635|2.129203|3.455390|5.645214|1.578096|0.301198|0.301741|0.500000| |6.301108|8.682362|17.834735|8.570333|7.933975|8.060121|4.139595|6.539082|12.112964|6.105451|3.719625|2.974560|0.072742|2.914986|3.662381|2.660605|2.449778|2.972585|0.057246|0.055950|2.310680|2.474219|2.870705|5.182190|3.556961|2.495726|2.229411|2.148328|1.900457|2.550511|0.048045|2.086141|2.324486|2.687608|2.697439|2.337978|2.086340|3.078013|4.587735|1.696771|0.141275|0.140378|0.191203|0.500000| |6.118460|6.619226|4.728093|4.691168|8.407375|12.394444|17.588765|3.505586|5.365280|4.355015|3.380117|2.677343|0.071982|2.400775|2.575308|2.376244|2.092752|2.501329|0.047679|0.049280|1.841606|2.022585|2.487009|4.080093|3.400061|2.348150|2.315960|2.211656|1.925229|2.579474|0.048269|2.138595|2.424344|2.910666|2.941925|2.462040|2.145945|3.582191|5.761495|1.702728|0.160364|0.194442|0.127525|0.106390|0.500000| |6.396941|6.754478|4.748053|4.656014|8.267267|12.425265|17.628055|3.473664|5.285432|4.351903|3.458260|2.768120|0.073768|2.407960|2.577357|2.295488|2.000968|2.441349|0.046304|0.048255|1.836805|2.052518|2.692310|4.426057|3.783844|2.701553|2.704330|2.644379|2.261074|3.067836|0.056710|2.626476|3.024874|3.853424|4.017072|3.186853|2.668028|5.350490|9.318669|1.945942|0.202282|0.171255|0.131206|0.106983|0.299352|0.500000| |4.673840|5.711246|4.547498|5.133559|10.621792|12.652666|17.667791|3.897825|5.674576|5.134520|4.350914|3.321912|0.090268|2.815403|2.941793|2.747324|2.324632|2.772513|0.052000|0.055028|2.053659|2.323968|3.065575|4.850534|4.299193|2.904833|2.888519|2.679036|2.261747|2.970624|0.054692|2.475050|2.919254|3.581044|3.425199|2.753663|2.414642|4.053989|6.145390|1.975724|0.129822|0.129416|0.103613|0.100822|0.300439|0.299762|0.500000| |2.959234|3.807700|4.085351|5.812666|9.269195|6.425838|4.153271|6.289078|8.214138|12.306288|17.595198|8.708809|0.223071|6.481430|6.131341|6.339592|4.356990|4.778003|0.084026|0.093483|3.509017|4.315362|5.645251|7.998528|6.758279|3.767954|3.309605|2.762425|2.323674|2.881053|0.052994|2.269492|2.716478|3.016691|2.644174|2.224307|2.092069|2.743477|3.748757|2.115206|0.078041|0.078169|0.074524|0.096659|0.101616|0.098898|0.133574|0.500000| |3.272249|4.296332|4.649419|6.703170|10.502688|7.216192|4.470434|6.856290|8.676526|12.314686|17.677561|8.684474|0.192463|5.701453|5.930757|4.642254|3.488701|4.152509|0.074054|0.081090|3.271388|4.144611|7.537172|10.393357|9.162595|5.118151|4.219100|3.483652|2.812805|3.470778|0.062628|2.795787|3.485238|3.999444|3.363589|2.727565|2.541066|3.444216|4.580366|2.473305|0.088724|0.082874|0.082098|0.108358|0.102794|0.111811|0.139757|0.305056|0.500000| |2.506548|3.076634|3.740528|4.647022|5.364145|4.312920|2.652427|6.979077|12.440435|12.367507|6.274754|6.663449|0.135849|8.763108|17.609982|5.511428|4.803153|6.153992|0.108727|0.108456|5.829106|7.121320|6.261628|13.157564|5.961298|3.699532|2.900422|2.544774|2.237374|2.796689|0.052240|2.150986|2.470651|2.604111|2.335880|2.058976|1.987783|2.339116|3.127310|2.085887|0.066087|0.063740|0.068136|0.101553|0.066856|0.068607|0.075658|0.135194|0.148268|0.500000| |2.478763|3.049403|3.708365|4.653982|5.381394|4.295477|2.645201|7.189305|13.435454|12.449033|5.863474|5.688869|0.126586|8.616520|17.613980|7.121927|6.832511|7.451773|0.132409|0.123114|6.085770|6.216658|4.543824|8.290054|4.750983|2.930664|2.443428|2.157516|1.914989|2.416124|0.045497|1.859883|2.112880|2.248285|2.054962|1.818818|1.742619|2.103089|2.872560|1.798990|0.063887|0.064493|0.067312|0.100390|0.068381|0.066723|0.075524|0.142662|0.129203|0.303212|0.500000| |2.331766|2.842145|3.152990|4.044031|5.512478|4.341315|2.849590|4.976663|7.642604|9.388633|6.982835|6.902668|0.185203|8.723133|7.030300|17.591371|9.028115|7.631136|0.127268|0.143262|4.888318|5.514200|4.474364|6.963719|5.052479|2.925525|2.562913|2.185984|1.919805|2.387276|0.044774|1.830078|2.106670|2.242109|2.017059|1.769320|1.698138|2.063752|2.821143|1.813515|0.060777|0.062647|0.061067|0.080235|0.074343|0.070028|0.086172|0.221888|0.139760|0.140604|0.191599|0.500000| |1.984981|2.346556|2.545415|3.120067|4.314893|3.553783|2.415392|3.684717|5.870518|6.660494|5.448685|7.045238|0.224771|8.767623|5.490371|17.507690|8.913713|9.361660|0.143783|0.203938|5.678345|6.818533|4.706833|7.171700|5.399751|3.053003|2.681331|2.237180|1.982637|2.422639|0.045531|1.820836|2.090566|2.161250|1.918068|1.702900|1.665018|1.914150|2.570778|1.913770|0.052810|0.053288|0.052221|0.065751|0.062863|0.061045|0.073483|0.159106|0.118322|0.122956|0.141588|0.303676|0.500000| |2.029952|2.397773|2.738971|3.258060|4.099141|3.426347|2.226771|4.173516|7.498693|6.793210|4.211497|4.442387|0.112985|6.611122|6.549831|8.737484|17.649428|12.440284|0.225544|0.181266|6.910754|5.676996|3.490252|6.085068|3.903134|2.411999|2.096213|1.847898|1.668541|2.099863|0.039917|1.592790|1.785237|1.868653|1.716642|1.542852|1.493144|1.747883|2.389907|1.601140|0.052649|0.054358|0.054950|0.073924|0.059132|0.056204|0.064475|0.115651|0.095103|0.144020|0.240449|0.214690|0.173248|0.500000| |1.837032|2.135113|2.348455|2.764812|3.663285|3.114423|2.095997|3.292694|5.656569|5.355067|3.740747|4.073235|0.113433|5.425774|4.593318|8.769595|17.624622|12.364573|0.222268|0.225012|5.573782|4.891009|3.170466|5.310150|3.704854|2.272387|2.028103|1.773012|1.607524|2.011793|0.038322|1.514957|1.695644|1.761167|1.612187|1.454085|1.414864|1.633532|2.228115|1.558019|0.048099|0.049859|0.049219|0.062438|0.056131|0.052931|0.061741|0.108754|0.085785|0.105539|0.141962|0.212743|0.217080|0.301601|0.500000| |1.873634|2.181602|2.507037|2.901360|3.588827|3.056123|1.986943|3.731057|6.955154|6.019331|3.777104|4.429796|0.107715|6.729409|6.639656|5.753126|6.942323|12.414667|0.223852|0.181109|17.626486|8.749901|3.959375|7.641609|4.243545|2.681911|2.243232|1.982594|1.810819|2.261495|0.043091|1.691069|1.883469|1.925199|1.753917|1.595112|1.568898|1.743513|2.338836|1.759794|0.049510|0.049221|0.051334|0.069223|0.051881|0.051587|0.057057|0.094816|0.089762|0.185056|0.203685|0.129057|0.132288|0.207774|0.142768|0.500000| |1.647728|1.885887|2.105148|2.403993|3.079294|2.668829|1.780774|2.919686|5.246538|4.696526|3.232281|4.006320|0.103831|5.453275|4.598663|4.889125|5.575875|12.363840|0.222895|0.224554|17.626274|8.767579|3.745780|7.113373|4.170187|2.650123|2.241971|1.966374|1.820212|2.247080|0.043012|1.650914|1.827844|1.828981|1.654421|1.519832|1.516789|1.619257|2.150655|1.809188|0.044118|0.043523|0.044927|0.057641|0.046543|0.046705|0.051603|0.082564|0.078843|0.129326|0.127487|0.107717|0.127586|0.142794|0.126498|0.301149|0.500000| |1.820928|2.119691|2.329930|2.764965|3.678387|3.107521|2.093357|3.320563|5.532793|5.814904|4.494278|6.804679|0.185373|8.794583|5.445696|6.850245|5.713287|9.451937|0.144749|0.207704|8.906390|17.488654|6.012944|10.152526|6.358442|3.641897|2.994028|2.477413|2.228764|2.672660|0.050302|1.963064|2.240026|2.232901|1.956375|1.763674|1.763689|1.893128|2.486462|2.202367|0.049198|0.047975|0.048664|0.061764|0.053759|0.054676|0.062251|0.112363|0.106534|0.143975|0.131029|0.139629|0.200914|0.131946|0.129012|0.173094|0.215066|0.500000| |1.959036|2.297051|2.594347|3.067455|3.912092|3.293780|2.160402|3.839330|6.585341|6.646727|4.680267|6.626464|0.151672|8.797446|6.883005|5.521594|4.860780|7.620095|0.126924|0.144075|8.988982|17.659463|6.968552|14.895445|6.607949|3.976347|3.081488|2.610349|2.343325|2.836011|0.053256|2.098743|2.392684|2.393897|2.103442|1.895163|1.890715|2.031566|2.659239|2.280088|0.052880|0.050808|0.052905|0.069861|0.054993|0.056846|0.063057|0.108965|0.113860|0.216679|0.155666|0.123051|0.139651|0.126987|0.107543|0.212465|0.212687|0.303815|0.500000| |2.324632|2.744432|2.829309|3.432680|5.128469|4.326539|3.050854|3.581837|5.371179|6.021401|6.246403|7.594957|0.231370|4.752318|4.026230|3.946583|3.032264|3.918594|0.069450|0.081107|3.118681|4.136336|9.442252|10.911138|26.058461|9.030429|7.528293|4.836513|3.735957|4.207522|0.074504|3.200142|4.128702|4.159412|3.236734|2.725677|2.708107|3.001231|3.768643|3.361919|0.065302|0.060372|0.059580|0.070727|0.073687|0.081583|0.096093|0.151905|0.194350|0.108058|0.091891|0.106642|0.114219|0.078111|0.076257|0.080370|0.079001|0.120068|0.116011|0.500000| |2.490569|2.887242|3.022464|3.449113|4.800783|4.270558|2.902100|3.534981|5.529442|5.334106|4.535965|4.757687|0.118835|3.671394|3.623692|2.937973|2.457221|3.266885|0.059763|0.065500|2.727359|3.422222|7.093332|12.243209|12.442955|17.588306|8.807627|7.234792|5.169843|5.859856|0.099287|4.628407|6.389017|6.073627|4.407930|3.680612|3.728760|3.761004|4.454115|4.164348|0.071735|0.062435|0.065115|0.077638|0.069335|0.081654|0.085277|0.104767|0.151798|0.108235|0.083790|0.079577|0.079674|0.066543|0.061310|0.073860|0.070762|0.092556|0.105807|0.193447|0.500000| |2.042035|2.321790|2.440005|2.762644|3.813156|3.404203|2.354660|2.934110|4.734582|4.547845|3.815405|4.494892|0.117968|3.605979|3.329637|2.894246|2.451711|3.386535|0.061761|0.069274|2.869679|3.652825|6.873940|12.265568|12.439217|17.617498|8.804731|6.509041|5.347066|5.572058|0.097482|3.929093|4.861874|4.211672|3.294956|2.954381|3.139878|2.848753|3.455735|4.933154|0.058163|0.052216|0.053999|0.063882|0.057912|0.065492|0.069565|0.090869|0.115959|0.099631|0.078035|0.075646|0.080738|0.065117|0.061265|0.075499|0.076577|0.103477|0.115529|0.183525|0.304104|0.500000| |1.924842|2.146315|2.161554|2.425511|3.525639|3.233871|2.362239|2.454952|3.910578|3.755435|3.296046|3.685672|0.106915|2.918823|2.639134|2.546632|2.151619|2.911073|0.053519|0.060844|2.325848|2.848602|4.618630|7.210097|9.152753|8.833409|17.568751|8.870435|6.853070|6.348709|0.108442|4.310637|5.486983|4.465432|3.393689|3.051271|3.307494|2.876009|3.455822|6.377330|0.055513|0.050142|0.050066|0.055690|0.058331|0.066417|0.071632|0.084365|0.101131|0.074553|0.063842|0.068325|0.073724|0.056392|0.055499|0.060640|0.062139|0.083754|0.083335|0.187029|0.174038|0.219470|0.500000| |2.286579|2.587406|2.553545|2.906643|4.394040|4.025543|2.987444|2.837136|4.384703|4.315129|3.961903|4.097312|0.117561|3.093922|2.866648|2.711134|2.242775|2.935423|0.053827|0.060553|2.315586|2.839102|4.949904|7.353940|10.126265|8.850383|17.493760|9.024357|5.733237|6.069961|0.101383|4.696375|6.851797|6.254091|4.327811|3.589971|3.674111|3.668402|4.342643|4.581608|0.066560|0.059253|0.058322|0.064218|0.071712|0.084586|0.092739|0.101856|0.130052|0.079547|0.068754|0.075007|0.077347|0.059268|0.057844|0.061223|0.060439|0.081187|0.081672|0.236557|0.201761|0.174355|0.304633|0.500000| |3.122095|3.531026|3.337520|3.653083|5.619942|5.492992|4.058878|3.271172|4.998207|4.578520|3.954148|3.547724|0.093907|2.820097|2.865020|2.470663|2.089230|2.674776|0.049761|0.053685|2.112262|2.502676|4.081897|6.593861|6.662521|5.675143|6.186997|6.454375|4.556208|5.923114|0.099203|5.614289|8.842202|17.727619|8.937419|5.603782|4.886519|7.241545|7.612499|3.436097|0.095137|0.077923|0.077835|0.082023|0.091976|0.123619|0.120040|0.100496|0.140656|0.080500|0.069548|0.070677|0.067298|0.057113|0.053757|0.057925|0.054513|0.068001|0.072541|0.139059|0.187567|0.122543|0.128623|0.201323|0.500000| |2.644757|2.592060|2.402778|2.337596|3.330336|3.563207|2.683806|2.111628|3.496362|2.785798|2.162908|2.013984|0.053713|1.780330|1.852267|1.617213|1.454968|1.901958|0.036450|0.038082|1.490716|1.663261|2.223176|3.907182|3.294423|2.771340|2.970059|3.612869|3.411102|5.629829|0.106461|5.684160|4.940242|5.616092|8.876384|17.741334|8.963053|7.129326|7.424341|2.720704|0.084975|0.066773|0.069621|0.063336|0.066767|0.085849|0.072253|0.056921|0.068367|0.053046|0.047448|0.045922|0.043925|0.040468|0.038112|0.041580|0.039481|0.045103|0.048414|0.066439|0.086134|0.070841|0.072351|0.083575|0.123933|0.500000| |2.041900|2.065885|1.985877|1.990334|2.806774|2.877298|2.140152|1.873730|3.126625|2.543630|1.989915|1.933886|0.052097|1.711943|1.741299|1.545687|1.395194|1.857691|0.035595|0.037512|1.467235|1.642408|2.190132|3.883845|3.311609|2.907078|3.230396|4.281461|4.590112|9.112828|0.187715|8.823289|5.563158|4.886162|5.611842|8.927887|17.727474|4.141468|4.597121|3.584520|0.062741|0.052337|0.054389|0.052865|0.053813|0.065492|0.059402|0.052019|0.061872|0.050312|0.044429|0.043141|0.042458|0.038455|0.036522|0.040530|0.039370|0.045121|0.048260|0.065885|0.087619|0.077016|0.080658|0.086115|0.106406|0.215010|0.500000| |1.560115|1.660300|1.652837|1.758690|2.495571|2.402343|1.775798|1.752825|2.904442|2.540431|2.065490|2.194704|0.061786|1.914543|1.815883|1.726284|1.543112|2.118562|0.040160|0.044014|1.679840|1.923212|2.564632|4.434653|4.138187|3.741918|4.709455|5.781888|8.904446|9.313289|0.190719|4.733793|4.445054|3.377449|2.917520|2.997645|3.647993|2.407814|2.878394|17.544467|0.045603|0.040878|0.041334|0.043706|0.045028|0.051234|0.051858|0.054044|0.061995|0.052123|0.045740|0.046657|0.049190|0.041247|0.040456|0.044742|0.046053|0.055426|0.056579|0.082280|0.095528|0.108318|0.145111|0.111255|0.085816|0.072534|0.097090|0.500000| |1.594340|1.707648|1.727872|1.837385|2.558600|2.441317|1.765769|1.858884|3.107429|2.693236|2.154809|2.318549|0.063900|2.042641|1.953556|1.802783|1.618652|2.246271|0.042570|0.046379|1.816596|2.086816|2.798273|5.015893|4.427936|4.185923|4.749478|5.809483|8.904503|9.242818|0.187908|4.718597|4.449677|3.380431|2.915413|2.990364|3.633236|2.406896|2.877681|17.542701|0.046392|0.041402|0.042607|0.046095|0.044637|0.050719|0.051109|0.055311|0.064508|0.057147|0.048966|0.048269|0.050852|0.043479|0.042009|0.048580|0.050084|0.059629|0.062764|0.084180|0.108456|0.130388|0.140088|0.106327|0.085996|0.072341|0.096552|0.301477|0.500000| 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