Version2.2 2021-02-12T04:18:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 05-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@H](CNC(=O)CCc2c(nc3nc(nn3c2C)N)C)[NH+](C)C C67267965 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@H](CNC(=O)CCc2c(nc3nc(nn3c2C)N)C)[NH+](C)C C01[X(C21H30N7O1)] 171 C1 495 O=C(NC[C@@H](c1ccc(cc1)C)[NH+](C)C)CCc1c(C)nc2n(c1C)nc(n2)N O=C(NC[C@@H](c1ccc(cc1)C)[NH+](C)C)CCc1c(C)nc2n(c1C)nc(n2)N C[NH+](C)[C@@H](CNC(=O)CCc1c(C)nc2nc(N)nn2c1C)c3ccc(C)cc3 InChIKey=CIGOZOSTUKHBKY-SFHVURJKSA-O InChI=1S/C21H29N7O/c1-13-6-8-16(9-7-13)18(27(4)5)12-23-19(29)11-10-17-14(2)24-21-25-20(22)26-28(21)15(17)3/h6-9,18H,10-12H2,1-5H3,(H2,22,26)(H,23,29)/p+1/t18-/m0/s1 InChI=1/C21H29N7O/c1-13-6-8-16(9-7-13)18(27(4)5)12-23-19(29)11-10-17-14(2)24-21-25-20(22)26-28(21)15(17)3/h6-9,18H,10-12H2,1-5H3,(H2,22,26)(H,23,29)/p+1/t18-/m0/s1/fC21H30N7O/h23,27H,22H2/q+1 Cc1ccc(cc1)[C@H](CNC(=O)CCc2c(nc3nc(nn3c2C)N)C)[NH+](C)C C01[X(C21H30N7O1)] 171 C01 495 O=C(NC[C@@H](c1ccc(cc1)C)[NH+](C)C)CCc1c(C)nc2n(c1C)nc(n2)N O=C(CC[C]1[C]([N][C]2[N][C]([N][N@]2[C]1C)N)C)NC[C@@H]([C]1[CH][CH][C]([CH][CH]1)C)[NH](C)C C[C]1[CH][CH][C]([CH][CH]1)[C@H](CNC(=O)CC[C]2[C](C)[N][C]3[N][C](N)[N]N3[C]2C)[NH](C)C InChIKey=YKTXLCVWGNTYJU-SFHVURJKSA-N InChI=1S/C21H30N7O/c1-13-6-8-16(9-7-13)18(27(4)5)12-23-19(29)11-10-17-14(2)24-21-25-20(22)26-28(21)15(17)3/h6-9,18,27H,10-12H2,1-5H3,(H2,22,26)(H,23,29)/t18-/m0/s1 InChI=1/C21H30N7O/c1-13-6-8-16(9-7-13)18(27(4)5)12-23-19(29)11-10-17-14(2)24-21-25-20(22)26-28(21)15(17)3/h6-9,18,27H,10-12H2,1-5H3,(H2,22,26)(H,23,29)/t18-/m0/s1/f/h23H,22H2 2669.7179200372 -1268.5317115 1-A 19559.1183 106 389 495 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.64441 -15.85380 -15.72415 -15.71250 -15.62332 -15.62078 -15.61660 -15.58596 -11.46505 -11.44470 -11.43627 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.00384 0.00979 0.03814 0.04223 0.07873 0.08494 0.09006 0.10619 0.11264 0.11795 0.12963 0.13232 0.14313 0.15205 0.15855 0.16500 0.17221 0.17555 0.18081 0.18467 0.18979 0.19217 0.19338 0.20153 0.21125 0.21463 0.22074 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2.35115 2.35824 2.36887 2.37287 2.38231 2.39267 2.40865 2.41371 2.41630 2.43536 2.44629 2.46059 2.46919 2.47538 2.49365 2.50527 2.50733 2.51745 2.52652 2.52919 2.53781 2.54562 2.55402 2.56376 2.57483 2.58822 2.59298 2.59817 2.60465 2.61726 2.64656 2.65086 2.65532 2.66017 2.66333 2.67310 2.69119 2.69832 2.70842 2.71858 2.73801 2.75005 2.77160 2.78578 2.79767 2.81666 2.82272 2.84063 2.85590 2.87015 2.88451 2.88930 2.89564 2.90325 2.91615 2.93790 2.95902 2.97290 2.98133 2.98638 2.99977 3.00975 3.04039 3.05916 3.06761 3.08918 3.09830 3.10232 3.13314 3.17107 3.18382 3.19159 3.21673 3.28398 3.30257 3.33128 3.35255 3.44560 3.45806 3.52322 3.64638 3.69916 3.86292 4.23179 4.23894 4.30304 4.37361 4.41400 4.42586 4.42944 4.43049 4.48560 4.48928 4.50699 4.53771 4.56384 4.57093 4.58067 4.62353 4.63928 4.65540 4.65645 4.71643 4.76559 4.78886 4.80956 4.86176 4.87819 4.89348 4.93131 5.04536 5.09785 10.20745 24.0199 -4.7318 -2.4695 24.6058 |XX|YY|ZZ|XY|XZ|YZ| -55.9078 -141.4667 -157.5566 -19.1287 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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 6 6 6 6 6 6 6 6 1 6 7 6 8 6 6 6 6 7 6 7 6 7 7 6 6 7 6 7 1 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 12.00000 14.00307 12.00000 14.00307 1.00783 12.00000 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 6527.6979 30758.5408 33514.0052 1.00000 0.00058 -0.00008 -0.00058 1.00000 0.00178 0.00008 -0.00178 1.00000 1 0.01327 0.00282 0.00258 0.27647 0.05867 0.05385 6.70 15.07 22.07 26.15 50.57 67.21 76.16 92.23 103.05 107.60 140.94 184.20 209.32 211.93 217.44 257.69 263.30 272.95 289.23 325.09 359.47 362.04 379.73 421.19 469.26 473.48 490.30 514.42 536.77 555.43 561.12 584.06 592.51 622.71 644.93 659.06 664.37 670.32 712.23 717.76 737.34 787.83 802.71 822.33 851.36 879.32 886.35 925.22 969.14 983.67 1008.32 1080.79 1104.82 1135.04 1156.04 1174.59 1209.94 1236.07 1248.55 1273.62 1281.40 1305.92 1368.11 1377.89 1388.86 1412.52 1431.91 1492.01 1536.91 1566.31 1569.38 1585.33 1594.90 1597.43 1600.37 1604.41 1650.16 1662.71 1669.69 1676.96 1683.13 1690.58 1694.00 1724.64 1740.29 1742.70 1773.00 1822.24 1823.84 1844.13 1855.42 1883.94 1894.73 1900.63 1923.40 1931.11 1958.65 1961.13 2006.40 2036.70 2063.02 2105.87 2120.70 2148.08 2153.89 2179.87 2188.55 2232.64 2243.17 2250.70 2252.37 2256.98 2258.33 2268.31 2282.61 2294.92 2314.03 2324.65 2330.80 2335.52 2336.04 2339.76 2344.15 2352.75 2353.84 2354.12 2355.04 2361.44 2371.19 2397.36 2401.58 2422.18 2432.21 2437.02 2515.42 2529.57 2545.65 2613.92 2628.23 2657.45 2780.97 4622.25 4626.11 4629.55 4658.27 4686.80 4698.77 4700.96 4702.75 4708.26 4711.38 4713.61 4745.19 4749.16 4768.20 4786.00 4789.77 4802.51 4814.85 4816.39 4834.17 4835.93 4846.83 4857.94 4870.26 4870.51 4886.28 5337.58 5500.83 5607.97 5667.16 0.543818 0.571540 0.572484 0.479228 -1267.987894 -1267.960172 -1267.959228 -1268.052483 3.127788D-04 MUNgauss RevisionA2.1 retrievium 12-Feb-2021 DUDE Cc1ccc(cc1)[C@H](CNC(=O)CCc2c(nc3nc(nn3c2C)N)C)[NH+](C)C C67267965 RHF 6-31G(d) (6D,10F) C1 396.251184 |X|Y|Z| 124.792313 52.474471 35.099156 61.255374 21 6 7 16 5 |36.858105| |12.618637|36.858105| |7.533191|13.729963|36.858105| |5.003571|7.884535|13.733489|36.858105| |4.407504|6.773120|7.902265|13.743614|36.858105| |5.016301|7.883929|6.906105|7.976673|13.660753|36.858105| |7.552538|13.657559|7.989121|6.905851|7.899350|13.801667|36.858105| |3.264752|4.404107|5.020025|7.581622|12.590236|7.506577|5.004880|36.858105| |3.030052|3.966823|4.789794|7.350120|8.888713|5.570182|4.182558|17.660723|0.500000| |2.895204|3.719807|3.999982|5.290618|7.483326|6.076352|4.310485|12.347992|0.248469|36.858105| |2.877433|3.627653|4.017687|5.183730|6.240608|5.053893|3.955413|7.814230|0.204592|13.243412|53.358707| |2.535636|3.094372|3.531658|4.485918|4.851597|3.886053|3.215868|6.110732|0.190990|7.865982|19.070214|36.858105| |2.340938|2.836532|3.253743|4.169677|4.504802|3.566113|2.942727|6.131723|0.211329|7.075635|11.651334|15.811517|73.516695| |2.398238|2.823757|3.205443|3.800224|3.826544|3.230371|2.840043|4.264979|0.129813|5.030331|10.603302|12.586101|14.140554|36.858105| |2.012988|2.307149|2.575307|2.973763|2.998383|2.601576|2.321824|3.384831|0.103385|3.902880|7.014362|7.518153|11.739687|12.388237|36.858105| |1.881090|2.101991|2.324620|2.584085|2.543853|2.263308|2.082274|2.742378|0.082269|3.058107|5.261540|4.903257|7.789895|7.498730|12.566176|36.858105| |1.768393|1.948251|2.103876|2.291253|2.286315|2.093587|1.946958|2.429110|0.070813|2.751169|4.630995|3.989556|6.284381|5.554825|7.410452|13.266565|36.858105| |1.653901|1.791281|1.921051|2.051086|2.024960|1.876990|1.775006|2.111884|0.061253|2.339631|3.824042|3.179651|5.112315|4.164456|5.036657|7.891297|14.671246|53.358707| |1.627655|1.751076|1.895714|2.010261|1.948582|1.794343|1.710809|2.015048|0.059070|2.174713|3.514821|2.938798|4.814491|3.798335|4.501567|7.010590|8.454518|19.401099|36.858105| |1.518194|1.611109|1.732833|1.811505|1.747243|1.624059|1.566035|1.787396|0.052143|1.903309|3.011229|2.461679|4.083764|3.044930|3.450305|4.755802|5.425566|10.847394|14.568349|53.358707| |1.522070|1.612248|1.751557|1.827925|1.739789|1.604198|1.551353|1.774481|0.052270|1.855725|2.916675|2.401462|4.039289|2.936693|3.292972|4.398873|4.464487|7.636084|9.179964|19.260857|36.858105| |1.621772|1.736148|1.914487|2.020926|1.907599|1.732274|1.663435|1.958338|0.058491|2.034103|3.226560|2.721321|4.604869|3.385563|3.859774|5.268139|4.786948|7.430000|8.559312|11.471031|14.526529|53.358707| |1.705487|1.848981|2.037990|2.181649|2.084717|1.885497|1.789929|2.165444|0.064644|2.299270|3.736395|3.218918|5.342272|4.229588|5.111093|8.237379|7.231708|11.061061|14.023998|11.891495|9.219124|19.018470|53.358707| |1.835209|2.027527|2.267028|2.486295|2.380026|2.109585|1.970234|2.519184|0.076505|2.690369|4.480242|4.071416|6.746113|5.687671|7.552393|13.901558|7.954186|9.296471|7.997599|7.486941|5.631419|10.719291|19.295287|36.858105| |1.879206|2.084701|2.382071|2.634494|2.463600|2.140702|1.998477|2.611900|0.081500|2.680704|4.363860|4.011676|6.989691|5.157752|6.168974|7.390505|4.962465|6.057713|5.149629|5.687363|4.681998|9.218831|10.781290|12.700249|36.858105| |1.423962|1.491350|1.611675|1.663320|1.577947|1.465336|1.429233|1.597081|0.046860|1.652439|2.553996|2.069170|3.511755|2.452185|2.678348|3.355700|3.397958|5.565197|5.638350|11.004228|14.027053|11.093510|7.657273|4.087301|3.711488|53.358707| |1.749572|1.934229|2.051036|2.239734|2.299175|2.141898|1.974167|2.467343|0.070329|2.900185|4.845118|4.004962|6.233016|5.173422|6.361365|7.433587|12.619856|10.924874|5.272392|5.444166|3.353471|4.729054|6.258661|5.025644|3.709797|3.709125|36.858105| |2.912546|3.753599|4.051011|5.389837|7.626470|6.104962|4.337844|12.407567|0.254831|7.467180|6.843032|4.339132|8.299340|3.263639|2.784586|2.311346|2.080537|2.499339|1.759175|2.151067|1.572502|2.342811|2.556194|2.148495|2.236445|1.947760|2.126327|53.358707| |3.014584|3.876102|3.948863|4.955512|7.243080|6.891897|4.751734|9.185761|0.182474|6.763494|6.237445|3.818670|6.997768|2.971753|2.543443|2.146972|1.966548|2.378867|1.667419|2.049503|1.490852|2.201259|2.397059|1.990745|2.045370|1.853906|2.031154|25.731763|0.500000| |2.376258|2.913555|3.117229|3.922070|4.943262|4.248765|3.278350|7.490971|0.191284|6.467095|6.181043|4.194304|8.579419|3.147668|2.814416|2.307388|2.080336|2.486802|1.741061|2.124051|1.547915|2.304207|2.523572|2.126675|2.204474|1.914083|2.147535|17.305853|0.258840|36.858105| |2.950318|3.742197|4.155774|5.371601|6.413308|5.162312|4.065793|7.612870|0.201690|4.919890|5.280911|3.569021|6.889932|2.845309|2.476171|2.107724|1.889215|2.302620|1.646639|2.034322|1.504770|2.247016|2.411777|2.010378|2.138422|1.880922|1.893743|17.320933|0.260684|7.785666|36.858105| |17.550890|8.870031|6.001299|4.346276|3.963912|4.558382|6.572649|3.028807|0.077985|2.797589|3.863503|2.490256|4.028415|2.399226|2.011997|1.899131|1.806498|2.310189|1.663365|2.115710|1.548412|2.229479|2.350576|1.844650|1.863046|1.971360|1.795074|3.639086|0.077042|2.225413|2.636613|0.500000| |17.569056|8.852894|5.772296|4.251800|3.952176|4.643174|6.872475|3.018151|0.077246|2.679348|3.537598|2.297325|3.823479|2.155310|1.838610|1.717102|1.622802|2.071178|1.495194|1.905849|1.402234|2.025015|2.123837|1.673002|1.711794|1.793449|1.615881|3.814103|0.081965|2.299303|2.871174|0.302235|0.500000| |17.598951|8.842171|7.206784|4.732112|3.944827|4.171635|5.576600|3.016589|0.080102|2.657397|3.647928|2.426468|4.015306|2.327988|1.970612|1.859066|1.738065|2.226451|1.627043|2.076572|1.542837|2.243170|2.335845|1.839271|1.903978|1.974687|1.697906|3.674092|0.076056|2.232629|2.797143|0.301890|0.301626|0.500000| |6.970338|8.921126|17.722642|8.947886|5.642455|4.969700|5.662592|4.104649|0.114296|3.382967|4.757049|3.218564|5.324485|3.031910|2.479205|2.283456|2.059612|2.588004|1.902490|2.385165|1.789968|2.669976|2.804171|2.273341|2.421539|2.255837|1.975970|4.658507|0.091515|2.747625|3.603421|0.156680|0.147863|0.220037|0.500000| |4.089316|5.632915|8.941600|17.701112|8.907957|5.653076|4.967898|7.029597|0.226511|4.976674|6.942512|4.822089|8.234139|4.100701|3.219387|2.775789|2.400882|2.914129|2.121645|2.591206|1.941672|2.965199|3.192905|2.712986|2.961091|2.396101|2.301868|6.907208|0.122939|3.894792|5.254706|0.100991|0.098362|0.112874|0.217229|0.500000| |4.106791|5.637534|4.965766|5.642336|8.830126|17.665676|8.999320|6.891264|0.139181|6.320946|6.646592|3.709718|6.111925|3.056663|2.511385|2.176650|2.038224|2.483121|1.728003|2.128935|1.534284|2.241413|2.448683|2.006283|2.013007|1.907827|2.123060|8.514137|0.218715|4.512213|4.894481|0.107480|0.110110|0.096218|0.107749|0.123692|0.500000| |7.012225|8.898287|5.665345|4.968766|5.635809|8.964034|17.713073|4.086428|0.096171|3.727160|4.655580|2.815414|4.602807|2.527831|2.108894|1.912768|1.815126|2.269707|1.602070|2.008626|1.455328|2.104846|2.258637|1.807158|1.816400|1.833859|1.857116|5.087576|0.116546|2.948719|3.497202|0.182837|0.199380|0.140862|0.124239|0.107772|0.218748|0.500000| |2.498901|3.097567|3.315941|4.225659|5.484446|4.664067|3.517300|8.750920|0.210289|17.683115|12.704060|7.395026|13.645147|4.739041|3.955853|3.041702|2.737901|3.151568|2.142249|2.547933|1.821706|2.716847|3.078049|2.653793|2.640327|2.206430|2.921797|9.570681|0.172444|7.596820|4.659612|0.067167|0.065167|0.064523|0.080364|0.115216|0.138277|0.087167|0.500000| |2.991577|3.823870|3.870724|4.806270|6.953082|6.783099|4.703754|8.743197|0.174341|17.611523|12.584563|5.799159|9.111209|4.246543|3.382967|2.759272|2.562158|3.007497|2.041758|2.454252|1.745874|2.570138|2.889952|2.432279|2.387621|2.129360|2.751910|8.868020|0.188801|5.568020|4.420654|0.081327|0.077690|0.074623|0.089918|0.119245|0.221344|0.116305|0.302032|0.500000| |3.051284|3.816803|4.110282|5.003726|5.829624|5.111631|4.165763|6.195406|0.157464|9.010031|26.089041|9.286514|10.870754|7.357885|4.805019|3.827363|3.484430|3.950416|2.644074|3.089173|2.177665|3.243082|3.762851|3.250874|3.088434|2.595282|3.686572|5.801712|0.112955|3.788908|3.418638|0.085556|0.075659|0.078150|0.099190|0.131489|0.136225|0.100961|0.185412|0.229723|0.500000| |2.450828|2.857650|3.153585|3.616462|3.691431|3.250093|2.899959|3.940952|0.113544|4.803431|10.198180|8.864319|10.452442|17.563224|8.764588|6.830599|5.878593|6.005236|3.861728|4.220241|2.908901|4.420924|5.535556|5.090694|4.351692|3.311640|5.853623|4.144881|0.079135|2.903097|2.638121|0.069377|0.060990|0.065452|0.082353|0.103912|0.086162|0.072539|0.122568|0.119504|0.232068|0.500000| |2.542033|2.988023|3.503068|4.127068|3.902573|3.232921|2.904728|4.149367|0.129726|4.483597|8.798092|9.057600|11.927894|17.526346|8.809813|6.861494|4.969475|5.401496|3.831498|4.239431|3.095305|4.981266|6.078809|6.062065|5.976891|3.524667|4.323065|4.308930|0.079719|2.972272|2.857000|0.070295|0.062681|0.069599|0.094249|0.128327|0.082636|0.070995|0.114179|0.106126|0.174558|0.304186|0.500000| |1.953774|2.243231|2.533858|2.959745|2.958859|2.526248|2.245845|3.408826|0.107675|3.775880|6.416353|7.020847|12.965577|8.887547|17.642428|8.845422|5.599154|5.739182|4.004038|4.327200|3.143590|5.125035|6.460164|7.036026|6.843758|3.534435|4.830328|3.883027|0.071198|2.930549|2.575949|0.053625|0.049798|0.053471|0.068162|0.091080|0.067517|0.056447|0.108611|0.089232|0.117225|0.173581|0.211441|0.500000| |1.908124|2.181801|2.387287|2.747193|2.854356|2.526019|2.237521|3.277480|0.097550|3.937856|6.855563|6.881466|11.075742|8.863748|17.601643|8.896006|7.066363|6.516579|4.062199|4.326695|2.962694|4.545140|5.858834|5.678559|4.686667|3.332694|7.360105|3.748753|0.070531|2.853907|2.406118|0.053120|0.048852|0.051450|0.063151|0.080855|0.069143|0.057059|0.115021|0.096207|0.129897|0.210334|0.173685|0.307663|0.500000| |1.963508|2.159172|2.486940|2.700825|2.465550|2.146993|2.034601|2.543822|0.078992|2.561235|4.148855|3.675865|6.284332|4.642457|4.955698|5.818346|4.308392|5.507677|4.800849|5.581806|4.786634|9.523122|9.728994|8.971118|17.584663|5.302635|3.304601|2.957178|0.055455|2.102639|2.104010|0.054115|0.049364|0.055845|0.071514|0.084658|0.055492|0.051261|0.068848|0.063937|0.082938|0.112864|0.157738|0.144705|0.108342|0.500000| |1.980445|2.235421|2.589453|2.944047|2.757159|2.343173|2.152387|2.991001|0.095834|3.046571|4.989728|4.821333|8.697547|6.033638|7.116551|6.936355|4.578849|5.326887|4.213428|4.709498|3.722107|6.678857|7.796852|8.851453|17.661369|4.176673|3.632856|3.443916|0.063324|2.501741|2.411171|0.054064|0.050078|0.055521|0.072457|0.093817|0.061015|0.053832|0.083735|0.073664|0.095233|0.131200|0.197578|0.249392|0.144444|0.299711|0.500000| |1.711440|1.881597|2.129906|2.338145|2.201887|1.932035|1.809568|2.343123|0.072768|2.390453|3.774901|3.393480|6.101355|4.100003|4.983448|5.846272|4.319508|5.502960|4.775971|5.538841|4.728255|9.365190|9.648529|8.971215|17.582812|5.224903|3.321469|2.797907|0.052353|2.052138|1.984291|0.047024|0.043684|0.048264|0.060257|0.072549|0.050818|0.046017|0.066272|0.059587|0.073898|0.098649|0.125348|0.157795|0.113073|0.304118|0.300246|0.500000| |1.345847|1.404367|1.505236|1.549690|1.480677|1.385128|1.352686|1.499273|0.043720|1.558204|2.393121|1.922022|3.263788|2.254427|2.461936|3.044683|3.182226|5.288901|5.095950|10.295531|9.547261|8.167562|6.412068|3.548990|3.183709|26.048818|2.619696|1.839147|0.035873|1.332017|1.302196|0.038122|0.034734|0.037972|0.042825|0.045249|0.036985|0.035606|0.042581|0.041221|0.049737|0.062704|0.065186|0.065984|0.063643|0.090968|0.075046|0.091286|0.500000| |1.395724|1.461081|1.585739|1.637372|1.546449|1.430848|1.395688|1.566887|0.046196|1.606167|2.464294|2.002034|3.435839|2.341538|2.553672|3.122540|3.061258|4.808313|4.678519|8.083713|9.489202|10.232353|6.835106|3.850383|3.703809|26.052362|2.486542|1.920306|0.037205|1.387809|1.372215|0.039227|0.035937|0.039663|0.045494|0.048398|0.037949|0.036490|0.043847|0.042100|0.050740|0.063666|0.069156|0.070105|0.064654|0.109144|0.085122|0.109839|0.314632|0.500000| |1.911271|2.135069|2.255638|2.478521|2.576795|2.406615|2.199739|2.764330|0.077798|3.349065|5.795537|4.665096|6.900285|6.086550|6.606909|6.679488|8.803541|8.247608|4.429591|4.733612|3.012632|4.303287|5.539520|4.592483|3.554262|3.394284|17.555936|3.181524|0.062239|2.337496|2.049114|0.054676|0.048819|0.051089|0.059678|0.070023|0.066435|0.057322|0.092449|0.088833|0.126043|0.212135|0.134266|0.134849|0.213772|0.089584|0.099528|0.086660|0.066229|0.063760|0.500000| |1.657910|1.808866|1.895774|2.037360|2.087123|1.976042|1.845063|2.204970|0.062233|2.559900|4.162313|3.312821|5.225301|4.091084|4.700585|5.545320|8.988496|10.729290|5.076432|5.511253|3.281534|4.433787|5.654904|4.220288|3.203776|3.685315|17.648661|2.621560|0.051604|1.938314|1.728021|0.047555|0.042698|0.044703|0.050921|0.057669|0.054594|0.048696|0.071258|0.068763|0.089165|0.129216|0.099409|0.105832|0.144541|0.081338|0.085716|0.081325|0.073698|0.067838|0.300431|0.500000| |1.658627|1.839785|1.950604|2.149162|2.229387|2.071506|1.891340|2.442162|0.069839|2.884975|4.692912|3.935011|6.369433|4.770773|6.256054|6.554631|8.861547|8.477825|4.514691|4.824255|3.053745|4.343365|5.591132|4.578389|3.530664|3.432533|17.545900|2.908696|0.056519|2.203645|1.896429|0.046928|0.042846|0.044674|0.052026|0.061543|0.057524|0.049484|0.082983|0.075564|0.096085|0.140267|0.109493|0.138506|0.226729|0.085688|0.098017|0.090108|0.067632|0.064849|0.301951|0.300888|0.500000| |2.273941|2.769757|3.047174|3.881221|4.634432|3.811990|3.016983|7.142276|0.213766|6.299392|6.484075|4.740014|10.558549|3.471393|3.148844|2.526924|2.235116|2.649285|1.860877|2.255544|1.650508|2.480174|2.726692|2.330280|2.445548|2.030296|2.282734|12.299381|0.181594|17.645180|6.744655|0.059360|0.060434|0.060150|0.075941|0.112226|0.108096|0.074815|0.214939|0.140196|0.107231|0.086229|0.090835|0.093496|0.088195|0.064066|0.078471|0.063251|0.039098|0.040986|0.068563|0.056605|0.065511|0.500000| |2.224382|2.671524|2.825018|3.430637|4.140153|3.706865|2.977665|5.527290|0.145615|4.765798|4.923344|3.409425|6.887059|2.686425|2.455120|2.059285|1.870976|2.263935|1.594916|1.963443|1.435911|2.128382|2.307074|1.922178|2.001902|1.789220|1.923592|12.306858|0.214927|17.658326|7.559443|0.057603|0.060636|0.058374|0.070147|0.094717|0.109224|0.075701|0.148489|0.120790|0.086940|0.069345|0.071396|0.071316|0.069064|0.053285|0.062497|0.052373|0.034673|0.036160|0.057501|0.048700|0.054914|0.298711|0.500000| |2.284654|2.773466|2.894413|3.551560|4.533362|4.123920|3.183388|6.568975|0.158972|6.919438|6.379162|4.192676|8.293184|3.153397|2.834460|2.318683|2.122464|2.527092|1.748220|2.127950|1.536180|2.270897|2.505048|2.102949|2.136529|1.895257|2.236668|12.218440|0.230168|17.691951|5.665722|0.060317|0.061519|0.059109|0.070785|0.096056|0.127689|0.081131|0.249337|0.175871|0.109463|0.082356|0.080704|0.080476|0.081764|0.056318|0.066728|0.055212|0.036786|0.037989|0.068152|0.056159|0.064144|0.299312|0.301131|0.500000| |3.470747|4.543327|5.094778|6.527307|7.461925|6.019536|4.855559|7.102242|0.182592|4.577081|5.113655|3.394989|6.300151|2.778699|2.382379|2.058905|1.852410|2.272816|1.632058|2.024797|1.500800|2.236726|2.388763|1.978049|2.104168|1.882168|1.846993|12.257233|0.222329|5.631092|17.704959|0.083763|0.093913|0.091076|0.119499|0.167144|0.147762|0.112406|0.114509|0.117844|0.094778|0.072463|0.078891|0.068079|0.063672|0.058303|0.065341|0.053976|0.036160|0.038127|0.055639|0.047052|0.050836|0.140367|0.149514|0.126351|0.500000| |2.668820|3.258715|3.475856|4.187891|4.878665|4.338065|3.567854|5.556986|0.145902|4.096660|4.459254|3.039896|5.865010|2.483104|2.212140|1.905855|1.727474|2.120455|1.515995|1.884704|1.392518|2.065816|2.206221|1.820924|1.926777|1.750323|1.741015|12.313352|0.226569|7.188490|17.651713|0.066640|0.073742|0.070329|0.085517|0.113109|0.119713|0.088679|0.111842|0.106389|0.081583|0.064587|0.068734|0.063881|0.060369|0.052565|0.059725|0.050207|0.033801|0.035513|0.051993|0.044448|0.048690|0.164845|0.232658|0.150124|0.299370|0.500000| 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