Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)OC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)Oc3ccc4c(c3)OC(=O)[C@H]5[C@@H]4CCC5 C63350950 RHF 6-31G(d) (6D,7F) CC(C)(C)OC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)Oc3ccc4c(c3)OC(=O)[C@H]5[C@@H]4CCC5 C01[X(C28H31N2O6)] 195 C1 602 O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc2c(c1)OC(=O)[C@H]1[C@@H]2CCC1)CC1=c2ccccc2=[NH+]C1 O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc2c(c1)OC(=O)[C@H]1[C@@H]2CCC1)CC1=c2ccccc2=[NH+]C1 CC(C)(C)OC(=O)N[C@@H](CC1=C2C=CC=CC2=[NH+]C1)C(=O)Oc3ccc4[C@H]5CCC[C@H]5C(=O)Oc4c3 InChIKey=BSUGHKUQXVGFQL-LSWJPFSZSA-O InChI=1S/C28H30N2O6/c1-28(2,3)36-27(33)30-23(13-16-15-29-22-10-5-4-7-18(16)22)26(32)34-17-11-12-20-19-8-6-9-21(19)25(31)35-24(20)14-17/h4-5,7,10-12,14,19,21,23H,6,8-9,13,15H2,1-3H3,(H,30,33)/p+1/t19-,21-,23+/m1/s1 InChI=1/C28H30N2O6/c1-28(2,3)36-27(33)30-23(13-16-15-29-22-10-5-4-7-18(16)22)26(32)34-17-11-12-20-19-8-6-9-21(19)25(31)35-24(20)14-17/h4-5,7,10-12,14,19,21,23H,6,8-9,13,15H2,1-3H3,(H,30,33)/p+1/t19-,21-,23+/m1/s1/fC28H31N2O6/h29-30H/q+1 CC(C)(C)OC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)Oc3ccc4c(c3)OC(=O)[C@H]5[C@@H]4CCC5 C01[X(C28H31N2O6)] 195 C01 602 O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc2c(c1)OC(=O)[C@H]1[C@@H]2CCC1)CC1=c2ccccc2=[NH+]C1 O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc2c(c1)OC(=O)[C@H]1[C@@H]2CCC1)CC1=C2C=CC=C[C@H]2NC1 CC(C)(C)OC(=O)N[C@@H](CC1=C2C=CC=C[C@H]2NC1)C(=O)Oc3ccc4[C@H]5CCC[C@H]5C(=O)Oc4c3 InChIKey=MBXWLXCDWLJRJR-ADHNFCLRSA-N InChI=1S/C28H32N2O6/c1-28(2,3)36-27(33)30-23(13-16-15-29-22-10-5-4-7-18(16)22)26(32)34-17-11-12-20-19-8-6-9-21(19)25(31)35-24(20)14-17/h4-5,7,10-12,14,19,21-23,29H,6,8-9,13,15H2,1-3H3,(H,30,33)/t19-,21-,22-,23+/m1/s1 InChI=1/C28H32N2O6/c1-28(2,3)36-27(33)30-23(13-16-15-29-22-10-5-4-7-18(16)22)26(32)34-17-11-12-20-19-8-6-9-21(19)25(31)35-24(20)14-17/h4-5,7,10-12,14,19,21-23,29H,6,8-9,13,15H2,1-3H3,(H,30,33)/t19-,21-,22-,23+/m1/s1/f/h30H 3812.1178818520 -1636.3120282 1-A 25826.6594 130 472 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.72346 -20.69481 -20.68403 -20.66150 -20.63724 -20.60765 -15.77278 -15.69809 -11.50593 -11.49113 -11.48045 -11.45060 -11.43975 -11.43887 -11.41811 -11.41737 -11.39804 -11.39553 -11.39004 -11.38847 -11.38544 -11.38284 -11.38030 -11.37327 -11.32115 -11.31866 -11.31561 -11.31453 -11.31149 -11.30606 -11.29698 -11.29353 -11.29077 -11.28904 -11.28892 -11.28207 -1.58901 -1.57291 -1.54481 -1.48836 -1.47814 -1.46582 -1.44350 -1.35935 -1.30052 -1.26481 -1.25030 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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| 6.2629 14.8134 18.7913 26.0265 28.1887 37.5133 49.9278 51.7993 64.1112 69.5932 89.1772 90.2594 102.1088 114.1612 126.1942 135.5519 156.4532 166.6714 194.0851 221.3909 229.3529 231.4639 250.7444 264.0966 275.6352 277.9093 293.5435 301.7153 302.7732 317.7369 352.3850 365.5465 371.2792 389.2050 400.4482 418.1572 426.0965 440.5251 462.0885 473.2010 493.1308 499.5765 508.8806 514.5311 521.4671 544.6760 552.3402 564.0573 580.6657 583.8821 603.9545 631.4900 674.1520 682.0840 703.9252 722.2351 738.9119 745.4491 759.9106 774.6023 793.4612 800.5780 814.9287 828.8121 846.7116 853.1829 857.3313 871.5040 880.6643 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3235.2375 3236.7001 3245.1082 3254.0387 3269.1325 3280.0110 3280.2099 3284.7511 3285.5330 3287.1715 3295.1023 3300.0089 3300.3638 3323.6668 3330.5276 3363.2983 3388.9597 3389.1847 3406.7437 3407.2227 3412.1026 3412.5548 3437.5402 3841.5283 3875.5294 5.7376 5.4273 4.6044 4.8688 3.8496 4.0488 5.7579 4.8235 4.8154 5.7785 4.8337 2.6225 5.3508 4.3203 4.2006 4.9274 5.0429 5.0612 2.7643 4.5118 1.2094 3.3292 4.1987 2.3188 1.8111 3.3041 3.7184 2.1898 1.1856 3.6964 3.2499 4.5575 2.9145 3.8048 5.6187 3.3520 4.6272 5.0742 2.8770 3.3548 3.0385 2.4953 3.4652 1.8539 5.6069 2.6905 3.8892 1.9187 4.8965 4.0894 3.8015 5.2840 3.9829 1.8057 3.2664 3.5402 3.8246 4.4294 5.2200 3.7291 4.9652 5.9288 4.2133 3.9972 2.1012 1.6455 3.1876 3.0491 2.2980 2.4139 5.0190 3.8728 2.4155 2.1503 1.5056 4.9766 2.8135 3.1415 3.1157 2.0253 1.8309 1.6323 2.1157 1.9297 2.3634 3.1362 2.4000 1.1960 4.4290 1.4206 3.1246 2.8040 1.3662 1.5412 2.2475 2.8355 1.3917 1.3961 1.5564 2.4136 3.1542 2.3501 2.6294 2.3389 1.3809 1.5138 2.7544 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718.78 732.17 740.30 750.27 783.67 794.69 811.55 835.45 840.08 868.96 908.57 969.95 981.37 1012.79 1039.14 1063.13 1072.53 1093.34 1114.48 1141.61 1151.85 1172.50 1192.48 1218.23 1227.54 1233.51 1253.90 1267.08 1287.81 1302.01 1320.66 1327.65 1360.36 1363.34 1377.77 1382.51 1407.65 1441.57 1444.35 1456.59 1458.37 1466.69 1474.57 1503.37 1520.93 1526.31 1532.37 1548.31 1562.54 1582.15 1592.77 1610.72 1610.86 1626.41 1640.41 1664.04 1665.74 1671.27 1700.26 1734.04 1751.02 1779.53 1786.72 1803.19 1816.65 1856.10 1864.83 1881.72 1892.28 1894.82 1911.40 1920.84 1923.58 1961.53 1972.41 1986.15 1996.73 2011.10 2011.43 2029.67 2036.48 2041.03 2042.69 2054.37 2063.15 2078.48 2104.73 2127.03 2132.43 2158.15 2163.27 2186.77 2188.31 2201.13 2209.50 2245.15 2250.21 2265.08 2280.80 2284.15 2289.70 2300.70 2328.82 2333.43 2350.44 2352.64 2356.71 2364.59 2372.86 2373.87 2374.00 2400.58 2401.59 2417.25 2438.92 2506.10 2540.25 2577.16 2621.13 2654.67 2810.34 2946.92 2974.56 4624.62 4630.20 4635.40 4646.87 4647.27 4647.63 4654.79 4656.89 4668.99 4681.84 4703.55 4719.20 4719.49 4726.02 4727.15 4729.51 4740.92 4747.98 4748.49 4782.02 4791.89 4839.04 4875.96 4876.28 4901.54 4902.23 4909.25 4909.91 4945.85 5527.10 5576.02 0.595983 0.626803 0.627748 0.528390 -1635.716045 -1635.685225 -1635.684281 -1635.783638 3.332450D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE CC(C)(C)OC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)Oc3ccc4c(c3)OC(=O)[C@H]5[C@@H]4CCC5 C63350950 RHF 6-31G(d) (6D,10F) C1 491.218212 |X|Y|Z| 64.526430 36.485776 142.588666 69.499563 26 6 7 8 23 1 2 |36.858105| |12.492398|36.858105| |7.504992|12.491785|36.858105| |7.587221|12.501850|7.586316|36.858105| |7.791881|13.003109|7.786697|8.176279|73.516695| |6.270820|7.791881|6.351475|5.292955|25.974875|36.858105| |6.196932|6.658079|6.227315|4.454260|15.097550|15.891505|73.516695| |4.467196|5.275049|4.514591|4.268211|15.390755|13.818980|14.982799|53.358707| |3.505723|3.939285|3.696331|3.280058|9.622031|7.812686|12.166700|17.966160|36.858105| |3.040483|3.394233|3.158290|2.975225|8.055349|5.768330|8.870330|12.748827|17.551498|0.500000| |3.341898|3.470611|3.273825|2.860050|7.808121|6.174794|11.657585|10.365084|12.325935|0.246598|36.858105| |3.426439|3.376099|3.022393|2.832053|7.500108|5.547375|10.065490|8.994189|7.528395|0.184860|12.730229|36.858105| |3.692359|3.397182|2.998805|2.822656|7.143069|5.037910|9.709269|7.077930|5.219987|0.127856|7.413555|14.059020|36.858105| |4.066984|3.539609|3.198040|2.852967|6.976964|4.844066|10.383237|6.052937|4.364714|0.103817|5.833529|7.435475|13.195311|36.858105| |3.817847|3.180910|2.861319|2.644734|5.961064|3.840086|7.846434|4.782086|3.370204|0.083352|4.154396|5.140515|7.960701|14.190985|36.858105| |3.334264|2.821439|2.492341|2.448806|5.326505|3.309049|6.332725|4.306338|3.012879|0.077373|3.597227|4.654104|6.892956|7.868110|13.193868|36.858105| |3.108646|2.732746|2.383978|2.418467|5.346588|3.325353|6.099423|4.553690|3.196553|0.084318|3.803974|5.292143|7.658516|6.602047|7.703728|14.032668|36.858105| |3.251722|2.967497|2.580601|2.587039|6.105074|3.970973|7.175088|5.719050|4.089638|0.107966|5.103176|8.412829|13.190476|7.634438|6.817562|8.085992|13.483625|36.858105| |2.908318|2.771489|2.417253|2.481629|5.844940|3.759029|6.473182|5.826611|4.264099|0.119917|5.080954|8.262734|8.436248|5.286746|4.654420|5.258797|7.724182|14.472036|53.358707| |2.625417|2.508283|2.192310|2.303380|5.197784|3.228739|5.503553|4.965599|3.601237|0.103759|4.073702|5.820223|5.915335|4.229747|3.948408|4.640111|6.815150|9.263725|26.023151|0.500000| |2.946021|2.933664|2.595168|2.594481|6.457886|4.358926|7.346823|7.425098|5.915509|0.174205|7.235942|12.691096|8.211969|5.078854|4.104147|4.155553|5.200897|8.365037|17.925340|0.244067|36.858105| |3.199140|3.716672|3.809327|3.114474|8.460279|6.310695|10.673826|10.534523|12.447391|0.252639|7.488932|4.915248|3.881395|3.563077|2.858490|2.529576|2.601719|3.141592|4.353297|0.077872|4.065738|36.858105| |3.336961|4.094979|4.405596|3.450139|9.185237|6.342733|10.298249|9.443823|7.964015|0.180071|5.340043|3.973548|3.336274|3.167673|2.617598|2.324211|2.362715|2.773479|3.804671|0.069254|3.396261|16.156033|73.516695| |2.695488|3.000954|3.111513|2.570407|6.425649|4.549118|8.254439|7.180726|8.103853|0.198801|6.913424|4.513258|3.592050|3.320164|2.691635|2.390219|2.454403|2.939823|4.088773|0.073705|3.798015|14.353823|15.158598|73.516695| |2.385094|2.660190|2.853924|2.325535|5.440819|3.632458|6.644845|5.386825|5.180657|0.134363|4.642038|3.409929|2.878957|2.753152|2.311239|2.065282|2.095398|2.431057|3.357174|0.061830|2.979368|8.072408|12.379770|24.318669|36.858105| |2.403049|2.668965|2.981038|2.309989|5.251558|3.452050|6.562239|4.780298|4.255685|0.106276|3.986393|3.039528|2.680211|2.669844|2.268259|1.998742|1.986602|2.257094|3.043626|0.056192|2.614718|6.180462|10.794145|14.055222|13.803011|36.858105| |2.089486|2.303842|2.581558|2.045226|4.417734|2.794621|5.236833|3.847884|3.280914|0.084983|3.104962|2.497624|2.249068|2.251558|1.963523|1.753447|1.740063|1.943215|2.628066|0.049212|2.212302|4.361535|7.920169|9.266027|8.038370|13.788074|36.858105| |1.863793|2.050584|2.247059|1.860751|3.953791|2.463611|4.504053|3.480317|2.966167|0.079836|2.784936|2.287133|2.047656|2.014486|1.774201|1.611686|1.616903|1.803784|2.475877|0.046830|2.084592|3.806709|6.820825|8.127063|6.862761|7.845855|13.686697|36.858105| |1.863254|2.055050|2.199774|1.875092|4.051781|2.541436|4.558974|3.717388|3.257470|0.090538|3.006726|2.449359|2.145288|2.061727|1.803990|1.653975|1.682110|1.899093|2.649933|0.050186|2.269187|4.183414|7.223089|9.330861|8.034534|6.894502|8.032293|13.741669|36.858105| |2.073340|2.299922|2.428407|2.072106|4.664894|3.004385|5.348040|4.540699|4.211834|0.118218|3.785548|2.954581|2.508477|2.365622|2.029393|1.853686|1.901136|2.188779|3.079792|0.057704|2.713396|5.713488|9.213054|14.336677|13.880236|7.918444|6.906972|7.857041|13.743248|36.858105| |1.670615|1.830341|1.931150|1.698759|3.594430|2.218012|3.931738|3.270119|2.811412|0.080334|2.611387|2.197113|1.934701|1.844638|1.634520|1.520028|1.556518|1.746920|2.462471|0.047186|2.090798|3.402575|5.871514|7.242316|5.325945|4.622524|5.222352|7.885315|13.990641|8.223914|73.516695| |1.522986|1.661151|1.760891|1.556760|3.208449|1.949134|3.462762|2.825798|2.360997|0.066940|2.213969|1.905124|1.707647|1.644743|1.476321|1.378193|1.404508|1.556519|2.182530|0.042107|1.820736|2.790896|4.925291|5.698489|4.012540|3.779972|4.486101|6.658269|7.987118|5.306846|25.036411|36.858105| |1.408468|1.526946|1.602586|1.442750|2.943764|1.776339|3.141847|2.584119|2.140349|0.061336|2.020723|1.769055|1.591986|1.526974|1.380556|1.299799|1.329835|1.467727|2.068576|0.040196|1.714382|2.458711|4.312711|4.945825|3.316452|3.096208|3.523586|4.734492|5.550635|4.241664|15.554543|16.167229|73.516695| |1.529445|1.672146|1.803316|1.565515|3.181609|1.919449|3.437310|2.723893|2.237393|0.062115|2.099404|1.808576|1.641690|1.605182|1.446680|1.341738|1.354262|1.489556|2.064632|0.039748|1.706373|2.673460|4.844808|5.342079|3.807623|3.892408|5.016534|7.626439|6.853265|4.597532|13.937976|12.670678|14.212315|36.858105| |1.413007|1.532348|1.647117|1.441499|2.892614|1.735117|3.114895|2.449574|1.992988|0.055364|1.893105|1.653569|1.514330|1.485863|1.350102|1.257144|1.266838|1.383655|1.914804|0.037025|1.567778|2.329306|4.202485|4.608178|3.171447|3.263218|4.086175|5.581877|5.062764|3.706419|10.374238|9.156916|13.460473|17.616122|0.500000| |1.646538|1.795591|1.965036|1.654425|3.399823|2.075107|3.783679|2.901558|2.400824|0.065179|2.282015|1.936783|1.764750|1.747225|1.566050|1.434733|1.435536|1.579468|2.165105|0.041350|1.790587|2.929417|5.305827|5.958957|4.437450|4.965019|7.431729|12.549835|7.598908|5.012336|11.767569|7.427621|9.351655|12.397456|0.245420|36.858105| |1.573798|1.694462|1.844300|1.556818|3.195608|1.957473|3.603117|2.728643|2.262272|0.061341|2.201873|1.881919|1.726291|1.716945|1.545532|1.416070|1.412956|1.547989|2.115015|0.040432|1.738822|2.701870|4.797089|5.551198|4.013467|4.490212|6.373736|8.938912|6.237012|4.436372|10.128210|6.376044|8.718142|8.746139|0.220725|17.533776|0.500000| |1.633786|1.789558|1.990618|1.659632|3.327478|1.997944|3.642237|2.739930|2.205473|0.059274|2.081130|1.788873|1.651589|1.653418|1.494330|1.367289|1.359033|1.482104|2.017526|0.038607|1.650268|2.670939|4.995662|5.188056|3.693148|4.301366|6.156783|7.404709|5.100330|3.884190|8.061686|5.058187|7.126089|8.010759|0.193174|12.391810|0.242896|36.858105| |1.642335|1.825238|2.026181|1.717897|3.404273|2.015049|3.602038|2.783023|2.211520|0.060046|2.033014|1.756857|1.614149|1.601552|1.448464|1.334032|1.333949|1.457505|1.997980|0.038368|1.637714|2.682290|5.143101|5.061146|3.535795|3.905581|5.075170|6.090112|4.848876|3.800442|8.012439|5.068505|7.253600|7.718299|0.177674|7.815103|0.156390|12.385749|36.858105| |1.567940|1.737897|1.887577|1.645161|3.292654|1.956374|3.459696|2.764234|2.225142|0.061727|2.037837|1.764252|1.604238|1.568871|1.416710|1.315813|1.328331|1.458885|2.022866|0.039003|1.668607|2.673762|5.015567|5.130935|3.581502|3.674417|4.562644|6.124290|5.605127|4.168308|10.528562|7.522615|10.299465|12.259478|0.244047|7.779886|0.155970|7.745231|12.306094|36.858105| |17.629004|8.780028|6.879880|5.504029|12.202461|6.594961|13.454630|6.217154|3.714468|0.087410|3.701535|3.775467|4.193485|4.941659|4.553909|3.736138|3.368827|3.531737|4.170897|0.075542|3.108866|3.383703|6.136250|5.121370|2.528572|2.570562|2.210183|1.948448|1.939001|2.165946|3.066747|1.566704|2.567267|1.573960|0.040366|1.711204|0.045671|1.689354|1.678030|1.598333|0.500000| |17.555009|8.828583|5.482129|6.939059|12.779030|5.816350|9.659887|6.068130|3.446744|0.084803|3.310379|3.559051|3.905605|4.160338|3.999856|3.644921|3.457143|3.575479|4.339796|0.080412|3.143502|3.027687|5.493718|4.565491|2.251674|2.227425|1.943836|1.756951|1.776194|1.983368|2.858306|1.464600|2.422823|1.458351|0.037512|1.556496|0.041423|1.533722|1.545078|1.490756|0.299921|0.500000| |17.567825|8.889771|6.772698|6.955459|10.032092|4.692230|8.426148|4.879013|2.941788|0.072269|2.828900|2.884412|3.111165|3.455488|3.370384|2.990374|2.757420|2.808447|3.439734|0.064400|2.531856|2.762144|5.163829|4.232852|2.155208|2.198696|1.946460|1.741773|1.726463|1.893150|2.766778|1.432409|2.361175|1.448070|0.037357|1.557582|0.041441|1.560231|1.568485|1.488846|0.301363|0.301536|0.500000| |6.757135|8.896744|17.565763|6.981614|10.034789|4.724508|8.435388|4.913609|3.056144|0.074383|2.783067|2.618556|2.642405|2.849159|2.630616|2.315022|2.194209|2.323504|2.955139|0.055321|2.288441|3.146507|6.346546|4.741180|2.500296|2.638818|2.347294|2.059405|1.998292|2.166113|3.149749|1.635740|2.659506|1.686960|0.043141|1.833774|0.048012|1.879852|1.912518|1.770236|0.167755|0.138951|0.198872|0.500000| |5.484927|8.832797|17.571668|6.916476|12.813116|5.956054|9.771263|6.201803|3.784456|0.090927|3.211239|2.894009|2.784571|2.882787|2.560640|2.265419|2.205197|2.413948|3.145913|0.058538|2.525599|4.086821|8.936516|5.833068|3.058409|3.188380|2.769226|2.416115|2.366598|2.609788|3.678951|1.884460|3.033640|1.937186|0.048815|2.102733|0.054143|2.143289|2.217830|2.058065|0.141139|0.123312|0.138980|0.301289|0.500000| |6.889521|8.771146|17.634091|5.501912|12.152125|6.659890|13.496141|6.265123|3.933361|0.090845|3.600147|3.244228|3.239430|3.564129|3.127024|2.641062|2.489155|2.706520|3.400085|0.062243|2.697188|4.127325|8.317170|6.050753|3.109483|3.322900|2.823260|2.401852|2.327974|2.580524|3.585321|1.829907|2.943745|1.878675|0.047577|2.079489|0.054497|2.096304|2.096992|1.942856|0.206992|0.140954|0.168843|0.301247|0.300645|0.500000| |6.957189|8.818045|5.510138|17.575171|13.223000|4.983307|7.334902|5.768180|3.217956|0.082642|2.829242|2.894093|2.903809|2.875153|2.695752|2.557861|2.565003|2.732258|3.593306|0.068650|2.716230|2.945189|5.633909|4.358541|2.195718|2.147808|1.904445|1.751256|1.782907|1.977672|2.897506|1.492189|2.474160|1.487391|0.038151|1.560799|0.040959|1.553085|1.605632|1.554660|0.141469|0.209519|0.172920|0.141637|0.141640|0.123022|0.500000| |5.512282|8.825035|6.970400|17.582618|13.205443|5.008552|7.345579|5.801112|3.314660|0.084663|2.799156|2.708377|2.627182|2.609700|2.392653|2.224589|2.223484|2.407293|3.205586|0.060975|2.509889|3.237128|6.574234|4.706510|2.419777|2.391807|2.127073|1.946590|1.967484|2.171189|3.171751|1.635111|2.689181|1.646199|0.041942|1.729185|0.044829|1.741045|1.826207|1.750076|0.123121|0.141831|0.141427|0.174145|0.209113|0.141478|0.300849|0.500000| |6.873616|8.858814|6.864610|17.577831|10.267932|4.230733|6.758237|4.732020|2.803783|0.071120|2.514672|2.495538|2.526262|2.604225|2.468779|2.290355|2.230814|2.336595|3.027500|0.057794|2.292321|2.710344|5.308780|4.080910|2.114237|2.130482|1.914447|1.742939|1.739234|1.895411|2.812370|1.463327|2.416572|1.481931|0.038119|1.567628|0.041112|1.586754|1.638963|1.558890|0.140731|0.169775|0.207060|0.207638|0.168749|0.140758|0.300867|0.300935|0.500000| |4.148296|5.132178|4.345061|4.495078|14.971683|9.582806|11.025952|25.985812|9.214918|0.234362|5.659376|5.149067|4.215238|3.654130|3.026842|2.805101|2.990124|3.649512|5.213456|0.094097|4.748270|6.704005|11.788351|8.346987|3.696580|3.263797|2.692534|2.481171|2.670248|3.229411|4.234275|2.067587|3.376220|1.988634|0.049652|2.086972|0.054100|1.981878|2.047130|2.046385|0.112254|0.116411|0.094600|0.097758|0.126888|0.116960|0.125709|0.130396|0.099757|0.500000| |3.556188|3.631486|3.538989|2.899417|7.848209|6.319684|13.947104|8.917818|8.796155|0.174848|17.702935|9.004206|7.050167|6.605092|4.515501|3.675065|3.680393|4.671605|5.887132|0.098314|5.431238|7.052296|9.458501|11.816667|4.706753|4.314963|3.300237|2.862517|2.993068|3.683699|4.543531|2.187683|3.523403|2.111883|0.052977|2.341945|0.063081|2.154091|2.076424|2.045323|0.113662|0.095002|0.083711|0.083301|0.094624|0.112655|0.078163|0.077983|0.071609|0.137101|0.500000| |2.810380|2.917529|2.811305|2.480002|6.327941|4.636885|8.645583|7.647715|8.866450|0.223749|17.568522|9.042095|5.892701|4.775853|3.615270|3.220432|3.433251|4.483077|6.331992|0.106993|6.610649|6.727069|8.493852|13.310246|4.991825|4.102376|3.217573|2.942492|3.252141|4.178774|5.043588|2.370053|3.852061|2.208373|0.055265|2.394800|0.064700|2.137759|2.070819|2.105141|0.085342|0.077408|0.067795|0.067764|0.077679|0.085195|0.068200|0.068188|0.061456|0.128008|0.303183|0.500000| |4.249165|3.766919|3.546031|2.943015|7.332180|5.278415|12.610590|6.265385|4.619611|0.105715|6.186449|6.585364|8.722510|17.776604|9.011694|5.588139|4.814626|5.498037|5.838350|0.098121|4.433147|3.942030|6.240036|6.528759|3.046562|3.018749|2.505312|2.196254|2.220763|2.550888|3.479032|1.740654|2.848425|1.712283|0.043858|1.888243|0.051507|1.790618|1.722636|1.671954|0.149466|0.114320|0.100204|0.086759|0.088137|0.114358|0.080226|0.075159|0.074782|0.103507|0.222518|0.138488|0.500000| |3.760026|3.074540|2.833465|2.556828|5.533189|3.484844|7.235407|4.235393|2.986194|0.073831|3.570474|4.106338|5.628817|9.045453|17.758026|8.779545|5.584351|4.928955|5.019620|0.089903|3.356497|2.631957|4.361397|4.433699|2.187987|2.189399|1.914354|1.721030|1.728978|1.920872|2.782414|1.424035|2.365620|1.407001|0.036599|1.530315|0.042075|1.471424|1.420146|1.378687|0.126602|0.106379|0.095191|0.073716|0.069726|0.086811|0.071461|0.064009|0.067541|0.075547|0.110342|0.087845|0.215092|0.500000| |3.053890|2.568228|2.289136|2.271556|4.722612|2.856515|5.429040|3.695316|2.582121|0.066951|2.995427|3.686388|4.963522|5.657684|8.807855|17.720426|9.090587|5.708949|5.716578|0.108477|3.400569|2.223794|3.682840|3.757363|1.858972|1.814139|1.611729|1.487128|1.518331|1.682641|2.494407|1.282046|2.156948|1.252550|0.032753|1.336491|0.036728|1.280292|1.248955|1.229709|0.093592|0.092531|0.078316|0.060078|0.057797|0.066895|0.065948|0.057261|0.059953|0.068168|0.085341|0.075897|0.124016|0.215842|0.500000| |2.761905|2.455909|2.147735|2.232317|4.760533|2.884731|5.186263|3.998541|2.806781|0.075718|3.227935|4.292088|5.495322|4.812699|5.519624|8.937898|17.754063|8.762181|9.238424|0.192595|4.543582|2.321065|3.782340|3.914126|1.904338|1.802792|1.597092|1.498065|1.561823|1.752378|2.593921|1.323566|2.241127|1.273661|0.033220|1.340549|0.036679|1.270778|1.251383|1.250795|0.081126|0.085753|0.069273|0.055467|0.055639|0.061519|0.066334|0.057324|0.057603|0.074836|0.085827|0.082904|0.105213|0.123149|0.216771|0.500000| |2.549252|2.561492|2.327890|2.293254|5.509020|3.666027|6.298886|6.151531|5.273230|0.163515|6.500718|8.858971|6.214960|4.286333|3.560230|3.603385|4.388312|6.309401|12.349757|0.205362|17.553802|3.864791|5.680233|6.778850|3.018823|2.608095|2.223722|2.124125|2.342930|2.811239|3.877472|1.889167|3.179284|1.748582|0.044684|1.825621|0.049496|1.662835|1.643647|1.691793|0.074677|0.074362|0.061991|0.057542|0.063628|0.067408|0.066028|0.062361|0.056937|0.112612|0.137050|0.191641|0.107381|0.083077|0.084220|0.110469|0.500000| |3.023250|3.099796|2.695595|2.794461|7.047056|4.638625|7.327741|8.520056|6.344451|0.202000|6.415405|8.873245|6.245988|4.307401|3.572908|3.612409|4.399075|6.334619|12.370685|0.205700|17.567405|4.238701|6.402237|6.751756|2.984706|2.595008|2.201483|2.087879|2.288011|2.744877|3.763742|1.842237|3.085914|1.723943|0.043858|1.793086|0.047933|1.659556|1.667554|1.705002|0.086289|0.090360|0.071810|0.065620|0.073812|0.076294|0.082254|0.075948|0.067565|0.159356|0.134920|0.159249|0.108149|0.083374|0.084376|0.110619|0.299836|0.500000| |2.673957|2.958314|3.383989|2.491772|5.748534|3.844241|7.641105|5.080791|4.413923|0.105331|4.238922|3.214807|2.885647|2.953575|2.486693|2.147990|2.104945|2.383541|3.152920|0.057739|2.683723|6.267718|11.141704|12.760831|8.911819|17.751747|8.890769|5.601920|4.965854|5.642764|6.520610|3.124299|4.691716|3.248464|0.078058|4.049271|0.104793|3.738764|3.411153|3.132822|0.080827|0.067769|0.067728|0.082455|0.099083|0.108601|0.063711|0.070852|0.063923|0.094096|0.134782|0.116334|0.095361|0.067186|0.054006|0.052579|0.073064|0.073409|0.500000| |2.047890|2.241178|2.552764|1.990303|4.197150|2.619735|4.969256|3.516166|2.909366|0.074776|2.796721|2.300742|2.115370|2.156061|1.902303|1.692702|1.662938|1.834116|2.455379|0.046101|2.033701|3.720698|6.884040|7.492535|5.705238|9.002205|17.742483|8.928510|5.688614|4.971707|7.465972|3.868204|5.567906|4.543551|0.107650|6.868235|0.172514|6.675181|5.085785|4.223980|0.060303|0.052545|0.053573|0.065442|0.075570|0.078005|0.051191|0.057233|0.052340|0.068310|0.083846|0.079256|0.066937|0.052118|0.043505|0.042444|0.056407|0.056022|0.216143|0.500000| |2.015002|2.227690|2.298430|2.029294|4.577310|2.935322|5.119310|4.586966|4.306412|0.128324|3.826528|3.034855|2.533965|2.335050|2.006477|1.857601|1.932042|2.242305|3.218137|0.060629|2.874678|5.441433|8.490307|13.045664|8.902289|5.631306|4.973027|5.622266|8.929441|17.758670|13.481550|4.938430|7.460061|4.039442|0.093251|4.105353|0.103520|3.280125|3.291926|3.716558|0.058094|0.054220|0.050950|0.056982|0.068325|0.067012|0.054449|0.059094|0.051326|0.091841|0.099230|0.120009|0.068725|0.052276|0.046753|0.049736|0.084208|0.081569|0.123964|0.107899|0.500000| |1.502967|1.630890|1.802318|1.521656|3.012008|1.798298|3.281309|2.461733|1.967565|0.053110|1.878049|1.636652|1.522687|1.527862|1.392659|1.280174|1.270953|1.376824|1.872867|0.035998|1.519253|2.327058|4.309359|4.498089|3.098327|3.522031|4.714233|5.496889|4.157761|3.266991|6.973445|4.561683|6.780924|7.028500|0.201308|8.907002|0.222553|17.546170|8.787543|6.470733|0.043126|0.039330|0.040089|0.047695|0.053449|0.052553|0.039718|0.044157|0.040645|0.049485|0.053924|0.053669|0.045731|0.038215|0.033458|0.033141|0.042619|0.042324|0.087448|0.143081|0.078987|0.500000| |1.728641|1.892627|2.137840|1.739359|3.486815|2.097632|3.868275|2.831680|2.266608|0.059993|2.149704|1.841310|1.711049|1.731967|1.563962|1.419527|1.400948|1.524420|2.057855|0.039221|1.678539|2.761271|5.211487|5.314467|3.763275|4.657408|6.811547|6.806340|4.623394|3.734972|6.970355|4.100472|5.941904|5.661096|0.139829|8.617764|0.197777|17.595728|8.663303|5.623045|0.049896|0.044717|0.045961|0.056208|0.063831|0.063151|0.044901|0.050509|0.046342|0.056484|0.062699|0.060765|0.052561|0.043003|0.036922|0.036244|0.046671|0.046732|0.116076|0.238513|0.086807|0.304015|0.500000| |1.549567|1.716293|1.904795|1.631363|3.165450|1.851817|3.304360|2.540288|1.988570|0.054043|1.836033|1.608765|1.490815|1.484362|1.353646|1.251505|1.249163|1.355406|1.854939|0.035769|1.506999|2.362041|4.535150|4.384626|2.958265|3.242217|4.016318|4.548005|3.809411|3.130401|6.503075|4.152359|6.316474|5.876096|0.152296|5.690690|0.126954|8.729995|17.588311|8.671067|0.043778|0.040525|0.041414|0.050509|0.057775|0.054365|0.042364|0.048180|0.043565|0.052101|0.052095|0.051663|0.044178|0.037001|0.032702|0.032668|0.041906|0.042658|0.081286|0.115185|0.077392|0.222350|0.193811|0.500000| |1.792997|2.020651|2.271031|1.897401|3.772896|2.227501|3.963207|3.061284|2.418068|0.065131|2.184093|1.872848|1.715450|1.703137|1.532338|1.405326|1.404246|1.539780|2.107538|0.040324|1.734833|2.993293|5.910417|5.533505|3.881076|4.350065|5.511755|6.088503|4.913866|4.037978|7.678661|4.480385|6.456772|5.979576|0.135766|6.453590|0.133403|8.783749|17.576821|8.759040|0.050755|0.046581|0.047443|0.059201|0.070102|0.065145|0.048870|0.056472|0.050104|0.062789|0.062111|0.061131|0.051110|0.041687|0.036440|0.036473|0.048009|0.049323|0.105964|0.151808|0.096007|0.175048|0.220187|0.303755|0.500000| |1.652894|1.850596|1.999996|1.756407|3.547764|2.107591|3.682171|3.015086|2.435072|0.068163|2.184164|1.879888|1.692700|1.640951|1.473671|1.370700|1.391130|1.538045|2.145757|0.041336|1.785069|2.961087|5.607369|5.636389|3.939762|3.876589|4.588303|6.056280|6.171751|4.720845|11.615911|7.323130|10.071832|8.696738|0.175549|6.350878|0.131907|5.933804|8.736250|17.567189|0.046616|0.043739|0.043350|0.051667|0.061125|0.056851|0.046140|0.052289|0.045884|0.062579|0.060284|0.062585|0.048478|0.039619|0.035451|0.036362|0.050228|0.051090|0.090797|0.113202|0.118371|0.135988|0.133053|0.182491|0.229594|0.500000| 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