Version2.0 2020-01-23T06:32:54Z 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 CCOc1cc(ccc1O)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)[O-])C(=O)c3c(nc4n3cccc4C)C C40003455 RHF 6-31G(d) (6D,7F) CCOc1cc(ccc1O)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)[O-])C(=O)c3c(nc4n3cccc4C)C C01[X(C27H32N4O5)] 198 C1 604 CCOc1cc(ccc1O)[C@H]1N(CCC[NH+](C)C)C(=O)C(=C1C(=O)c1c(C)nc2n1cccc2C)[O-] CCOc1cc(ccc1O)[C@H]1N(CCC[NH+](C)C)C(=O)C(=C1C(=O)c1c(C)nc2n1cccc2C)[O-] CCOc1cc(ccc1O)[C@H]2N(CCC[NH+](C)C)C(=O)C(=C2C(=O)c3n4cccc(C)c4nc3C)[O-] InChIKey=NFDGJYFWSRPLLI-HSZRJFAPSA-N InChI=1S/C27H32N4O5/c1-6-36-20-15-18(10-11-19(20)32)23-21(25(34)27(35)31(23)14-8-12-29(4)5)24(33)22-17(3)28-26-16(2)9-7-13-30(22)26/h7,9-11,13,15,23,32,34H,6,8,12,14H2,1-5H3/t23-/m1/s1 InChI=1/C27H32N4O5/c1-6-36-20-15-18(10-11-19(20)32)23-21(25(34)27(35)31(23)14-8-12-29(4)5)24(33)22-17(3)28-26-16(2)9-7-13-30(22)26/h7,9-11,13,15,23,32,34H,6,8,12,14H2,1-5H3/t23-/m1/s1/f/h34h,29H CCOc1cc(ccc1O)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)[O-])C(=O)c3c(nc4n3cccc4C)C C01[X(C27H32N4O5)] 198 C01 604 CCOc1cc(ccc1O)[C@H]1N(CCC[NH+](C)C)C(=O)C(=C1C(=O)c1c(C)nc2n1cccc2C)[O-] CCOc1cc(ccc1O)[C@H]1N(CCC[NH](C)C)C(=O)C(=O)[C@H]1C(=O)[C@@H]1[C@H](C)N[C@@H]2N1C=CC=C2C CCOc1cc(ccc1O)[C@@H]2[C@H](C(=O)[C@@H]3[C@H](C)N[C@@H]4N3C=CC=C4C)C(=O)C(=O)N2CCC[NH](C)C InChIKey=MJEVVPPSBIDPBT-OOKAXQNESA-N InChI=1S/C27H37N4O5/c1-6-36-20-15-18(10-11-19(20)32)23-21(25(34)27(35)31(23)14-8-12-29(4)5)24(33)22-17(3)28-26-16(2)9-7-13-30(22)26/h7,9-11,13,15,17,21-23,26,28-29,32H,6,8,12,14H2,1-5H3/t17-,21+,22-,23+,26+/m0/s1 InChI=1/C27H37N4O5/c1-6-36-20-15-18(10-11-19(20)32)23-21(25(34)27(35)31(23)14-8-12-29(4)5)24(33)22-17(3)28-26-16(2)9-7-13-30(22)26/h7,9-11,13,15,17,21-23,26,28-29,32H,6,8,12,14H2,1-5H3/t17-,21+,22-,23+,26+/m0/s1 3990.6526484376 -1633.1110174 1-A 19869.9382 131 473 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.57808 -20.56454 -20.52041 -20.47571 -20.46956 -15.76601 -15.60508 -15.58308 -15.49422 -11.35679 -11.33951 -11.33341 -11.32405 -11.28546 -11.28475 -11.27954 -11.27596 -11.27251 -11.27071 -11.26984 -11.26020 -11.25886 -11.24829 -11.22086 -11.21642 -11.21451 -11.21347 -11.21243 -11.20969 -11.20960 -11.20762 -11.20589 -11.20321 -11.19454 -11.18264 -11.15838 -1.41179 -1.40183 -1.38588 -1.37557 -1.33680 -1.31471 -1.30999 -1.26435 -1.17524 -1.13402 -1.12195 -1.09656 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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| 14.2597 20.5739 22.1367 30.8515 35.9890 44.6826 47.1124 60.7389 67.4588 81.3864 95.7787 98.8644 110.5847 129.1998 133.8726 145.6791 149.7637 154.8353 164.4245 173.3042 182.1828 204.5628 216.0422 231.8175 235.1454 244.7319 247.7678 256.2241 279.5042 284.2579 302.4356 312.9331 324.7339 334.4502 341.3710 355.7811 362.4726 375.8873 378.5094 391.8971 414.4865 429.7144 432.5263 447.8501 450.5207 503.3050 505.7345 513.3526 521.4673 544.9983 562.2983 569.6186 582.4155 610.0041 613.5363 618.7464 634.4166 646.6370 670.3176 677.5657 689.6905 748.4826 764.7290 793.9034 804.1487 820.0901 846.5398 851.7255 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142.24 159.11 185.89 192.61 209.60 215.48 222.77 236.57 249.35 262.12 294.32 310.84 333.53 338.32 352.11 356.48 368.65 402.14 408.98 435.14 450.24 467.22 481.20 491.16 511.89 521.52 540.82 544.59 563.85 596.35 618.26 622.31 644.36 648.20 724.14 727.64 738.60 750.28 784.13 809.02 819.55 837.97 877.66 882.74 890.24 912.78 930.37 964.44 974.87 992.31 1076.90 1100.27 1142.25 1156.99 1179.93 1217.98 1225.44 1236.87 1255.63 1263.52 1293.00 1302.52 1309.89 1317.47 1348.19 1355.55 1377.93 1403.33 1416.61 1428.27 1459.46 1468.04 1508.75 1512.07 1533.55 1537.68 1564.41 1566.66 1591.76 1616.36 1623.40 1642.40 1649.63 1649.98 1671.33 1691.23 1693.22 1716.67 1725.22 1750.79 1782.57 1800.21 1813.72 1817.59 1835.80 1856.71 1864.49 1869.07 1913.18 1928.29 1941.45 1968.12 1995.27 2003.16 2005.34 2011.78 2049.12 2057.22 2066.90 2094.76 2098.08 2116.17 2143.18 2161.43 2164.73 2170.65 2184.54 2212.02 2226.39 2233.15 2241.65 2249.48 2260.43 2274.78 2284.03 2284.64 2292.26 2304.66 2311.95 2325.54 2332.11 2332.56 2339.16 2343.20 2344.96 2345.25 2351.95 2354.22 2360.28 2361.56 2367.89 2376.24 2392.79 2393.99 2404.71 2419.44 2448.10 2489.35 2538.31 2567.03 2601.15 2620.32 2664.95 2736.05 2761.23 4567.31 4617.05 4618.58 4619.11 4626.46 4632.00 4664.04 4684.62 4686.53 4690.25 4705.85 4710.88 4715.20 4719.14 4719.65 4721.44 4734.84 4754.78 4757.69 4826.22 4830.52 4837.11 4840.52 4848.74 4853.57 4877.99 4885.46 4898.80 4916.79 5004.22 5335.08 5881.32 0.607345 0.640152 0.641096 0.540201 -1632.503673 -1632.470865 -1632.469921 -1632.570816 3.384035D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CCOc1cc(ccc1O)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)[O-])C(=O)c3c(nc4n3cccc4C)C C40003455 RHF 6-31G(d) (6D,10F) C1 492.237270 |X|Y|Z| 99.197559 92.763005 37.744337 70.292533 21 6 7 18 3 |36.858105| |12.572333|36.858105| |8.063325|13.522641|73.516695| |5.222122|7.960778|24.857851|36.858105| |4.372797|6.628930|13.917285|13.814833|36.858105| |3.326109|4.477119|9.180412|7.906113|13.680776|36.858105| |2.988658|3.795650|8.222338|6.902264|7.981752|13.766683|36.858105| |3.220025|3.998062|9.426399|7.961694|6.895425|7.899541|13.721537|36.858105| |4.118812|5.278684|14.594461|13.667520|7.927016|6.823414|7.945157|13.829079|36.858105| |4.106956|4.732903|12.777064|7.990814|5.234927|4.597919|5.244935|8.058376|14.097216|73.516695| |2.827390|3.646719|6.829632|5.009461|7.543137|12.456398|7.477912|4.979439|4.408689|5.970495|36.858105| |2.966917|3.870368|6.912759|4.828337|7.393132|8.971383|5.637688|4.216352|4.011595|5.576032|17.506545|0.500000| |2.550858|3.176163|5.785280|4.024014|5.392463|7.348375|5.722926|4.144451|3.676507|5.213549|12.557020|0.245218|36.858105| |2.171776|2.611791|4.834002|3.294477|4.086501|5.483207|5.026053|3.723005|3.185457|4.659618|7.930742|0.166246|13.558877|36.858105| |2.113515|2.537647|4.792886|3.294246|4.062564|5.631725|5.372940|3.882212|3.240865|4.727695|8.117505|0.169987|8.142675|12.366203|36.858105| |1.881372|2.209090|4.176055|2.799659|3.297322|4.282813|4.327531|3.350066|2.814039|4.233389|5.430673|0.125896|5.430890|7.733571|15.753687|73.516695| |2.393547|2.952436|5.619181|3.971575|5.207024|7.719052|6.509172|4.462995|3.773828|5.324943|12.998624|0.253186|8.213068|8.156421|14.152041|14.935310|53.358707| |2.319101|2.818287|5.422366|3.740658|4.639295|6.079934|5.510254|4.156371|3.597907|5.199594|7.449555|0.188501|5.128383|5.106592|7.768046|11.924428|18.025147|36.858105| |2.128454|2.532674|4.691972|3.069184|3.720996|4.375350|3.873044|3.153575|2.881410|4.326881|5.481829|0.160020|4.236660|4.232780|5.802260|9.796975|10.434409|12.387209|36.858105| |1.836125|2.136538|3.929529|2.528520|2.977092|3.490402|3.232467|2.679529|2.426895|3.726714|4.360886|0.121775|3.813499|4.139892|5.692930|11.079046|8.211793|7.387221|12.352348|36.858105| |1.765935|2.042322|3.668115|2.321900|2.744508|3.137186|2.837151|2.376304|2.193022|3.391626|4.023167|0.116394|3.780960|4.082608|5.005321|9.297652|6.820040|5.189472|7.422853|12.575605|53.358707| |1.797283|2.073642|3.680545|2.300075|2.716398|3.015468|2.682665|2.278723|2.142464|3.327451|3.802223|0.114924|3.500440|3.594043|4.221333|7.506730|6.084861|4.754224|7.119492|9.287817|25.741047|0.500000| |1.552391|1.762823|3.168423|1.979077|2.275101|2.564124|2.394229|2.055380|1.898794|2.990829|3.130605|0.088423|3.064327|3.395251|3.983919|7.864956|5.128909|3.873875|4.941891|7.725928|17.418479|0.260341|36.858105| |1.855675|2.167742|3.859630|2.464383|2.976360|3.459251|3.055310|2.506516|2.305357|3.526208|4.735174|0.135832|4.833690|5.329701|6.019944|10.285914|7.682152|4.987972|6.008603|7.514952|17.293974|0.259728|7.784248|36.858105| |1.947781|2.286349|4.204430|2.786272|3.298659|4.142012|4.000920|3.165968|2.741366|4.136941|5.284713|0.121696|7.864014|15.723418|8.001244|11.840557|7.503063|3.985111|3.488484|3.602628|4.991377|0.089316|3.239535|4.745138|73.516695| |2.731455|3.398344|5.928015|3.961203|5.151758|5.918819|4.664084|3.714894|3.502326|5.076022|7.550294|0.189435|13.356503|7.382692|5.075080|6.917522|7.075780|3.819769|3.354246|3.049186|4.246563|0.082871|2.615594|3.903085|10.520579|36.858105| |3.261974|4.214396|7.036507|4.623714|6.172349|6.151026|4.590719|3.823549|3.827601|5.512133|6.837871|0.191456|8.244976|5.218129|4.145747|5.849248|6.208015|3.581249|3.174748|2.798294|3.856212|0.077212|2.377264|3.393513|7.675670|15.542997|73.516695| |2.368740|2.809399|4.860820|3.107796|3.721517|4.111747|3.577014|3.014043|2.851651|4.319627|4.868964|0.126084|7.482612|6.047276|4.139299|6.052316|5.346056|3.052337|2.779979|2.650831|3.791348|0.073709|2.432502|3.495398|10.455545|12.804509|14.596548|36.858105| |2.042703|2.363855|4.089722|2.568739|3.009259|3.323108|2.976953|2.542939|2.395725|3.704919|3.992289|0.105669|5.726943|5.447183|3.841465|5.875787|4.761614|2.789389|2.628502|2.605146|3.849518|0.074339|2.533079|3.623867|10.567470|7.234215|9.545995|13.937720|36.858105| |1.907114|2.156295|3.714526|2.284345|2.587655|2.779305|2.556577|2.258168|2.153296|3.402813|3.159338|0.084339|4.162396|4.033504|3.060348|4.849697|3.838535|2.335819|2.214112|2.203663|3.231083|0.062966|2.182831|2.915819|7.941892|5.126825|7.607276|8.473596|14.041294|53.358707| |2.060719|2.323924|3.987965|2.437104|2.721564|2.864991|2.645355|2.376474|2.294000|3.639507|3.125661|0.083054|4.037535|3.737186|2.875925|4.516010|3.696032|2.261003|2.108675|2.055932|2.948649|0.057871|1.977788|2.597455|7.060794|5.260315|8.236534|8.624197|8.966433|19.849020|36.858105| |2.387776|2.766035|4.746177|2.951754|3.362958|3.538921|3.190115|2.825156|2.734380|4.245051|3.828615|0.100436|5.120961|4.371055|3.271733|4.965929|4.297365|2.569173|2.344272|2.231394|3.152112|0.061919|2.066046|2.785144|7.788731|7.624495|11.848434|13.690612|8.728635|11.725218|13.957586|53.358707| |2.673895|3.079830|5.268088|3.226184|3.543860|3.571517|3.261998|3.000477|2.984041|4.680349|3.588500|0.094286|4.422165|3.717192|2.940639|4.490981|3.980885|2.434948|2.195263|2.053594|2.842704|0.056273|1.864025|2.437007|6.417447|6.231257|11.432461|7.580417|5.389870|7.398987|7.952981|18.938025|36.858105| |2.466687|2.725732|4.655357|2.763531|2.917568|2.898909|2.728666|2.594867|2.608100|4.235612|2.870046|0.076240|3.382778|2.991973|2.457662|3.858078|3.310189|2.083340|1.901250|1.796428|2.487424|0.049409|1.658493|2.095646|5.297030|4.337011|7.962802|5.172727|4.269487|6.409296|6.919149|11.088460|14.183607|36.858105| |2.098233|2.283881|3.906612|2.310745|2.449197|2.472856|2.347081|2.219530|2.202856|3.611753|2.516082|0.067234|2.982731|2.744989|2.262158|3.616394|2.990895|1.897093|1.759060|1.692512|2.372390|0.047053|1.605270|2.001947|5.022600|3.688944|6.472806|4.649679|4.276580|7.148789|8.011129|9.500309|7.918919|13.305187|36.858105| |1.949329|2.143471|3.673168|2.198759|2.380462|2.453798|2.312884|2.140639|2.092366|3.395130|2.584277|0.069102|3.153510|2.962072|2.392928|3.836619|3.106999|1.952897|1.827988|1.782917|2.535689|0.050063|1.723964|2.173596|5.567700|3.894793|6.506735|5.335891|5.392078|10.506080|13.300278|10.719940|6.783466|7.854380|14.105156|36.858105| |1.696837|1.840077|3.161469|1.878813|2.020189|2.088002|1.987581|1.849114|1.802451|2.957294|2.213001|0.059575|2.644024|2.565688|2.125202|3.483020|2.736645|1.748195|1.660311|1.644148|2.357211|0.046560|1.631449|2.003531|4.910228|3.101643|5.164466|4.039191|4.439493|8.715461|7.557479|6.867507|4.419765|4.963395|7.545823|12.671412|36.858105| |1.871794|2.157523|3.750823|2.355565|2.773155|3.107690|2.789605|2.361306|2.206166|3.419578|3.897706|0.104947|5.355385|5.630280|4.131708|6.495904|4.959653|2.927068|2.856868|2.943908|4.556136|0.086683|3.025085|4.541508|11.320476|5.664402|7.754750|7.358207|12.738347|10.535933|5.382250|7.092410|3.822970|3.199035|3.224640|3.899132|3.534649|36.858105| |17.571127|8.856476|12.872671|4.921566|4.012932|3.152311|2.919063|3.215984|4.124964|7.644952|2.662553|0.075858|2.454771|2.109905|2.034355|3.231377|3.086708|2.176420|1.981092|1.730842|2.265871|0.046712|1.475021|1.756281|3.396969|2.646367|5.557409|2.333053|2.008373|2.580388|2.071944|3.264012|2.741733|2.573658|2.169635|1.985364|1.722972|1.821961|0.500000| |17.567666|8.854687|12.944946|4.813427|3.983911|3.100735|2.838722|3.097038|3.955403|7.254304|2.640141|0.076901|2.350206|2.033682|2.015860|3.222587|3.116422|2.268756|2.092811|1.800025|2.336828|0.048666|1.514025|1.778823|3.247765|2.455911|5.082882|2.137528|1.868947|2.373525|1.863354|2.902327|2.347242|2.176208|1.881888|1.764099|1.553744|1.736748|0.300735|0.500000| |17.553895|8.875502|10.235816|4.234592|3.822178|2.995677|2.664110|2.790658|3.409385|5.948211|2.647575|0.078305|2.429371|2.070868|2.000630|3.176131|3.060169|2.171997|2.031857|1.767553|2.344569|0.048990|1.519183|1.814926|3.324645|2.639558|5.622872|2.324075|2.021688|2.586086|2.051452|3.205765|2.623310|2.442307|2.096274|1.950086|1.704594|1.854400|0.300632|0.300538|0.500000| |8.823342|17.568735|16.546287|7.304197|6.819735|4.682035|3.877392|3.953031|4.983325|7.705803|3.887526|0.114059|3.511496|2.816652|2.651499|4.055314|4.146395|2.808489|2.519122|2.150480|2.835662|0.058475|1.796996|2.256138|4.384249|3.944997|9.184371|3.236165|2.656210|3.295388|2.652739|4.401425|3.693721|3.205306|2.616895|2.432591|2.050120|2.369683|0.211823|0.173098|0.211534|0.500000| |8.860633|17.547045|16.535112|6.903713|6.634353|4.496886|3.678298|3.719664|4.663545|7.268422|3.807790|0.117422|3.218649|2.638008|2.605138|4.029620|4.207573|3.006583|2.755567|2.283693|2.975078|0.062390|1.867032|2.302240|4.071099|3.382569|7.414066|2.766167|2.356177|2.894460|2.252652|3.616635|2.866333|2.520798|2.152992|2.056666|1.781712|2.190307|0.173456|0.211965|0.213260|0.301332|0.500000| |4.637071|7.324388|12.494515|8.941176|17.776719|8.951495|5.679670|4.968953|5.642338|7.508513|7.073161|0.227537|5.264685|3.891617|3.791275|5.502496|6.555507|4.313874|3.698805|2.956875|3.816071|0.078520|2.306384|3.067541|5.634259|5.352051|12.360900|3.836603|3.107054|3.621935|2.788055|4.687629|3.589814|2.944312|2.482299|2.425738|2.058293|2.870531|0.113537|0.114795|0.116886|0.218732|0.226995|0.500000| |2.559636|3.135338|6.521996|4.967830|5.655885|8.910170|17.721893|8.959386|5.666338|7.546573|6.904737|0.141064|5.778425|5.707618|6.465953|9.340359|9.666346|5.796721|3.973494|3.446403|4.056168|0.076520|2.537630|3.213931|8.100741|4.447022|7.305342|3.541599|3.024802|3.521621|2.632713|4.238351|3.095975|2.611384|2.292357|2.292203|1.989966|2.885848|0.069842|0.067973|0.064500|0.089414|0.085275|0.124483|0.500000| |2.832962|3.348962|7.636383|5.668066|4.964673|5.621173|8.859625|17.729125|9.006817|13.124959|4.056666|0.096660|3.555392|3.358716|3.527517|5.625910|5.255291|3.675103|2.847153|2.488412|2.996639|0.058337|1.939839|2.299629|5.251147|3.202025|5.730544|2.707803|2.334324|2.863445|2.208821|3.501384|2.724959|2.412028|2.092171|2.016429|1.761035|2.180460|0.079832|0.076672|0.068868|0.091746|0.086668|0.107814|0.214982|0.500000| |4.980641|5.546421|15.917254|8.002796|5.077877|4.199059|4.452025|6.065672|10.123209|35.681024|3.154404|0.084039|2.768143|2.446572|2.460261|3.917698|3.781659|2.720971|2.317820|1.994541|2.496702|0.050407|1.618465|1.906778|3.875236|2.754615|5.432287|2.355338|2.022210|2.541929|2.005234|3.178074|2.596086|2.367683|2.013819|1.881964|1.639724|1.862588|0.147575|0.139199|0.108016|0.134854|0.127699|0.118783|0.101347|0.151199|0.500000| |2.589396|3.201495|6.295654|4.427167|5.518865|6.959633|6.118589|4.724673|4.186961|5.925144|7.237172|0.192491|4.712453|4.372023|5.814668|8.867971|12.624718|17.614152|8.876896|5.464714|5.700308|0.112197|3.250587|4.060471|6.167799|3.696676|6.455353|2.916348|2.613386|3.018586|2.185087|3.412585|2.432010|2.085748|1.877281|1.906259|1.697095|2.669171|0.066794|0.070955|0.066507|0.086670|0.096029|0.138927|0.163009|0.112402|0.086155|0.500000| |2.128694|2.533279|4.944447|3.377223|3.955721|5.101883|5.201055|4.061882|3.409486|5.040706|5.681749|0.139247|4.377300|4.663959|7.246446|12.941518|12.539832|17.585088|8.830998|6.924001|6.374188|0.116189|3.744501|4.369148|6.784983|3.339500|5.519532|2.768814|2.565281|2.971554|2.114198|3.227846|2.257814|1.957846|1.795286|1.845833|1.665805|2.691618|0.056148|0.058242|0.055219|0.069845|0.073781|0.100140|0.163099|0.104190|0.072353|0.303126|0.500000| |2.254774|2.708496|4.889225|3.161816|3.937211|4.461033|3.726190|3.048903|2.865767|4.289526|5.841118|0.190663|4.477482|4.218033|5.292649|8.413298|9.641494|8.839923|17.524523|8.725816|10.041744|0.221367|4.733702|6.486770|6.134291|3.629654|6.209675|2.964234|2.791438|3.172901|2.216565|3.371475|2.308600|1.986166|1.833435|1.909054|1.726774|3.040339|0.057703|0.061157|0.060358|0.075304|0.083358|0.113788|0.102662|0.075301|0.064679|0.210513|0.173697|0.500000| |2.085947|2.449341|4.557740|2.925240|3.424640|3.851308|3.502226|2.975153|2.765245|4.228256|4.422164|0.129945|3.482102|3.444495|4.474317|7.802972|7.656092|8.878315|17.554309|8.890177|7.930910|0.165641|4.334762|4.610635|5.205024|2.877749|4.960727|2.425441|2.295193|2.685366|1.895704|2.850542|1.990070|1.745929|1.617145|1.667656|1.523103|2.461696|0.053720|0.057780|0.055243|0.066468|0.074492|0.094389|0.098276|0.075452|0.063206|0.222194|0.209159|0.304988|0.500000| |1.713581|1.965369|3.615319|2.289491|2.627884|2.996086|2.830999|2.420746|2.215134|3.461158|3.548705|0.099790|3.140060|3.369927|4.386271|8.680270|6.266092|5.733382|8.772039|17.623627|12.502865|0.221662|7.553418|5.594932|5.379413|2.602795|4.317574|2.305030|2.277638|2.676138|1.843060|2.696097|1.840484|1.630936|1.544248|1.620293|1.507196|2.551223|0.044896|0.047053|0.045908|0.054467|0.058361|0.072500|0.083260|0.063281|0.051628|0.128740|0.159890|0.184887|0.234366|0.500000| |1.790669|2.081467|3.872064|2.519091|2.946141|3.557948|3.410757|2.791435|2.467300|3.782853|4.430319|0.116641|4.009123|4.652877|6.937088|15.732779|8.846429|7.362624|8.733273|17.673295|12.414299|0.182202|6.985727|7.069783|7.281937|3.125186|4.983982|2.741847|2.704281|3.106476|2.123172|3.131220|2.107802|1.842104|1.738637|1.836595|1.693543|3.059497|0.047329|0.048601|0.047654|0.058544|0.060891|0.079593|0.104930|0.072851|0.055686|0.145722|0.215519|0.180084|0.184454|0.300355|0.500000| |1.513157|1.716733|3.112966|1.957197|2.237288|2.560057|2.439642|2.087732|1.902998|2.999623|3.107001|0.085076|3.105128|3.587860|4.267237|8.971540|5.192671|3.836242|4.559750|7.090592|12.378962|0.181757|17.647507|7.040797|6.245414|2.618333|4.169286|2.460486|2.577554|3.027846|2.008899|2.844778|1.879996|1.674689|1.625709|1.750590|1.660285|3.085923|0.040203|0.040938|0.040957|0.048745|0.050015|0.062137|0.073198|0.055214|0.044808|0.088292|0.106749|0.116915|0.110412|0.187419|0.211349|0.500000| |1.504837|1.699466|3.021475|1.869636|2.144104|2.381285|2.207262|1.910218|1.782520|2.821315|2.898712|0.082827|2.912181|3.182854|3.530293|6.732815|4.542168|3.323637|4.094947|5.600090|12.307900|0.222422|17.644793|7.262035|5.503770|2.554787|4.133152|2.425069|2.576213|3.040637|2.001594|2.810109|1.848462|1.651607|1.612745|1.745178|1.665400|3.139526|0.039746|0.040627|0.041191|0.048387|0.049967|0.061030|0.064377|0.050037|0.042640|0.079609|0.088034|0.114680|0.101073|0.149970|0.143335|0.299337|0.500000| |1.495840|1.686458|3.038388|1.883614|2.138232|2.378668|2.240592|1.952283|1.813954|2.880998|2.820749|0.080094|2.698212|2.931155|3.452926|6.804734|4.584422|3.625007|4.707242|7.113477|12.298147|0.224813|17.646547|5.631995|4.952186|2.332618|3.836672|2.163014|2.226377|2.650988|1.787046|2.542432|1.708259|1.531635|1.480267|1.576528|1.495551|2.589062|0.039420|0.040814|0.040650|0.047328|0.049747|0.060091|0.065574|0.051449|0.043383|0.086297|0.099049|0.122693|0.122295|0.232477|0.170740|0.299016|0.299166|0.500000| |2.072005|2.467792|4.373798|2.827620|3.535095|4.153671|3.495285|2.804222|2.590692|3.893624|6.163904|0.185757|6.059456|6.109202|6.768680|10.207474|9.593779|5.803758|6.755921|6.921619|12.227509|0.221374|5.631997|17.703411|8.859473|4.711126|7.273271|3.962740|3.932395|4.200168|2.791584|4.195926|2.701989|2.280414|2.142286|2.308548|2.087588|4.726928|0.054107|0.054837|0.056167|0.071753|0.073400|0.102767|0.100078|0.070031|0.058568|0.132030|0.131387|0.223890|0.137988|0.141528|0.176773|0.143822|0.146360|0.125956|0.500000| |1.770098|2.044324|3.586808|2.249281|2.680097|3.015596|2.668459|2.240346|2.093752|3.241898|3.969120|0.116327|4.191938|4.473165|4.622031|7.928663|5.955620|3.931677|4.653349|5.537296|12.341588|0.226628|7.192656|17.642505|7.458869|3.630142|5.680729|3.393612|3.651563|4.049898|2.604447|3.718362|2.368308|2.055819|1.990670|2.183924|2.038553|4.766417|0.046568|0.047029|0.048570|0.059372|0.060300|0.077885|0.076944|0.057357|0.049077|0.093502|0.097439|0.143246|0.106119|0.126977|0.143632|0.173359|0.223795|0.146673|0.299582|0.500000| |1.788560|2.082176|3.753954|2.417016|2.887816|3.440125|3.138983|2.556284|2.305915|3.530390|4.651336|0.124584|5.031381|6.240812|7.133939|13.111507|7.849264|4.853112|5.292483|6.817169|12.305872|0.181381|7.125933|17.675332|10.374116|3.942279|5.900330|3.617173|3.812007|4.155272|2.692822|3.902217|2.486189|2.138851|2.053577|2.243752|2.072983|4.863583|0.047477|0.047565|0.048329|0.060412|0.060525|0.080766|0.094535|0.065864|0.052591|0.107997|0.124181|0.146193|0.114959|0.143687|0.210272|0.213238|0.179673|0.143868|0.300382|0.298183|0.500000| |3.092633|3.679373|6.311878|3.925401|4.334238|4.254747|3.804498|3.507357|3.549882|5.445643|4.086607|0.106712|4.872537|3.889897|3.125755|4.693838|4.357683|2.654378|2.351914|2.154747|2.940061|0.058361|1.902703|2.501155|6.419114|6.963201|14.346256|6.911036|4.748748|6.052424|5.727304|12.499332|17.838654|8.902571|5.590924|4.917722|3.544881|3.565599|0.088195|0.074282|0.082972|0.126669|0.093249|0.120974|0.097059|0.086329|0.084042|0.074826|0.067778|0.068837|0.059254|0.053465|0.061220|0.053112|0.051955|0.048609|0.078249|0.066580|0.070357|0.500000| |2.600971|2.816027|4.812388|2.799055|2.863902|2.782064|2.650845|2.592857|2.657738|4.401128|2.671425|0.071211|3.030913|2.685185|2.268518|3.583870|3.094716|1.979244|1.801591|1.690939|2.319461|0.046251|1.548736|1.924622|4.697787|3.750377|7.117677|4.151999|3.477233|5.066858|4.978428|7.825693|9.107539|17.749135|8.736906|5.621107|4.051493|2.735319|0.076971|0.063331|0.071356|0.092029|0.070993|0.079718|0.069675|0.067296|0.068954|0.055653|0.051877|0.052104|0.046378|0.042911|0.048034|0.043367|0.042686|0.040025|0.058110|0.052250|0.054334|0.213319|0.500000| |1.971825|2.104991|3.604751|2.104100|2.193319|2.197855|2.109454|2.025684|2.022444|3.370208|2.213168|0.059403|2.558642|2.386088|2.013135|3.258626|2.668810|1.718948|1.601722|1.545293|2.160359|0.042961|1.473643|1.799960|4.368836|3.060587|5.430089|3.683109|3.477318|5.701055|5.657466|6.815211|5.661964|8.792809|17.706472|9.052332|6.924263|2.758592|0.057034|0.049380|0.054907|0.066213|0.055014|0.061588|0.057279|0.053564|0.052403|0.047399|0.045469|0.046200|0.041224|0.039465|0.044030|0.041450|0.041156|0.037975|0.053094|0.049826|0.051205|0.123335|0.212262|0.500000| |1.639169|1.754739|3.015258|1.774232|1.880938|1.925206|1.847155|1.742765|1.710461|2.838400|2.007728|0.054162|2.346278|2.273005|1.920112|3.166123|2.492013|1.610788|1.529665|1.510414|2.150676|0.042625|1.493859|1.802644|4.304111|2.717110|4.621247|3.379611|3.574324|6.421745|5.553780|5.687530|3.939474|4.669638|7.184215|8.888973|17.571497|2.945364|0.046538|0.041749|0.045824|0.054085|0.046963|0.053087|0.051184|0.046371|0.043865|0.043703|0.042814|0.044063|0.039268|0.038706|0.043135|0.042183|0.042262|0.038314|0.052097|0.050802|0.051626|0.089720|0.111170|0.217799|0.500000| |1.662611|1.801315|3.067195|1.814707|1.964513|2.021382|1.902720|1.762594|1.725403|2.826273|2.169384|0.059182|2.577216|2.490920|2.078354|3.412503|2.688523|1.725280|1.659280|1.648649|2.391370|0.047483|1.659077|2.038501|4.737622|3.020153|5.054869|3.906063|4.453226|8.764832|6.777299|6.320177|3.979481|4.276830|5.890581|8.887997|17.560663|3.658445|0.046535|0.042359|0.046727|0.055615|0.048893|0.056211|0.052797|0.046434|0.043689|0.046442|0.045455|0.048251|0.042285|0.042031|0.046866|0.046624|0.047445|0.042193|0.058820|0.058376|0.058101|0.090950|0.098955|0.150869|0.300198|0.500000| |1.607270|1.748552|3.038503|1.821310|1.960927|2.057711|1.980440|1.833658|1.765273|2.893453|2.194220|0.058487|2.639974|2.635374|2.176484|3.601752|2.756700|1.757477|1.666910|1.668203|2.391912|0.046882|1.669036|2.036257|5.174236|3.014603|4.899971|3.921749|4.466749|8.760026|6.778289|6.325987|3.981594|4.279924|5.896611|8.891214|17.563049|3.652699|0.045274|0.041147|0.044567|0.053673|0.047157|0.055012|0.055781|0.048834|0.044270|0.047029|0.046845|0.047809|0.042385|0.042482|0.048107|0.047577|0.047313|0.042382|0.058336|0.057462|0.059268|0.090894|0.098987|0.151044|0.300160|0.303509|0.500000| |1.751807|2.007345|3.545431|2.238444|2.601396|2.968860|2.749478|2.326733|2.138886|3.330456|3.672697|0.095994|4.966462|5.854717|4.310727|7.032075|4.906563|2.905085|2.811720|2.978147|4.561581|0.084652|3.114389|4.488711|13.432977|4.854781|6.700465|5.989350|8.942258|8.899106|4.742617|6.167181|3.454270|2.953443|2.999976|3.596822|3.346284|17.610268|0.047603|0.045467|0.047888|0.060609|0.056348|0.073234|0.080950|0.060479|0.050011|0.072583|0.075874|0.080963|0.067339|0.071876|0.088291|0.091003|0.089109|0.073581|0.123861|0.127792|0.142746|0.089912|0.070937|0.072294|0.078239|0.094162|0.099543|0.500000| 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