Version2.0 2020-03-05T12:06:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(ccc4OC)OC C39666210 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(ccc4OC)OC C01[X(C28H38N3O5)] 216 C1 616 COc1ccc(cc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](Oc1ccc(cc1)C)C)OC COc1ccc(cc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](Oc1ccc(cc1)C)C)OC COc1ccc(OC)c(c1)C(=O)N2C[C@H](C(=O)NC[C@H](C)Oc3ccc(C)cc3)C4(CC[NH2+]CC4)C2 InChIKey=IYWWAUIDRVSKSP-GBXCKJPGSA-O InChI=1S/C28H37N3O5/c1-19-5-7-21(8-6-19)36-20(2)16-30-26(32)24-17-31(18-28(24)11-13-29-14-12-28)27(33)23-15-22(34-3)9-10-25(23)35-4/h5-10,15,20,24,29H,11-14,16-18H2,1-4H3,(H,30,32)/p+1/t20-,24+/m0/s1 InChI=1/C28H37N3O5/c1-19-5-7-21(8-6-19)36-20(2)16-30-26(32)24-17-31(18-28(24)11-13-29-14-12-28)27(33)23-15-22(34-3)9-10-25(23)35-4/h5-10,15,20,24,29H,11-14,16-18H2,1-4H3,(H,30,32)/p+1/t20-,24+/m0/s1/fC28H38N3O5/h29-30H/q+1 Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(ccc4OC)OC C01[X(C28H38N3O5)] 216 C01 616 COc1ccc(cc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@@H](Oc1ccc(cc1)C)C)OC COc1ccc(cc1C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NC[C@@H](Oc1ccc(cc1)C)C)OC COc1ccc(OC)c(c1)C(=O)N2C[C@H](C(=O)NC[C@H](C)Oc3ccc(C)cc3)C4(CC[NH2]CC4)C2 InChIKey=XUVSURYBRXAPHF-GBXCKJPGSA-N InChI=1S/C28H38N3O5/c1-19-5-7-21(8-6-19)36-20(2)16-30-26(32)24-17-31(18-28(24)11-13-29-14-12-28)27(33)23-15-22(34-3)9-10-25(23)35-4/h5-10,15,20,24H,11-14,16-18,29H2,1-4H3,(H,30,32)/t20-,24+/m0/s1 InChI=1/C28H38N3O5/c1-19-5-7-21(8-6-19)36-20(2)16-30-26(32)24-17-31(18-28(24)11-13-29-14-12-28)27(33)23-15-22(34-3)9-10-25(23)35-4/h5-10,15,20,24H,11-14,16-18,29H2,1-4H3,(H,30,32)/t20-,24+/m0/s1/f/h30H 3935.8096767823 -1619.9103034 1-A 26651.9071 133 483 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.67301 -20.66107 -20.64571 -20.61553 -20.60760 -15.85688 -15.67780 -15.67336 -11.44471 -11.44258 -11.44018 -11.43455 -11.37949 -11.37879 -11.37312 -11.37197 -11.36961 -11.36671 -11.36213 -11.36031 -11.35957 -11.35545 -11.34782 -11.34680 -11.33730 -11.33083 -11.32244 -11.31450 -11.31407 -11.29172 -11.28885 -11.28726 -11.28627 -11.28466 -11.28147 -11.27014 -1.49419 -1.49172 -1.49116 -1.48543 -1.47753 -1.47187 -1.36097 -1.32544 -1.24974 -1.23799 -1.21267 -1.20519 -1.16324 -1.13502 -1.11897 -1.10924 -1.09931 -1.08541 -1.07523 -1.04174 -1.03622 -1.03313 -1.02634 -1.00008 -0.98792 -0.97954 -0.94778 -0.93534 -0.91134 -0.90683 -0.89623 -0.88828 -0.88351 -0.85507 -0.84504 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0.83577 0.83948 0.84259 0.84657 0.85231 0.86226 0.86886 0.87156 0.87436 0.87926 0.88652 0.89414 0.89701 0.90235 0.90887 0.91379 0.91906 0.93103 0.94012 0.94277 0.94656 0.95033 0.95161 0.95496 0.96346 0.96891 0.97049 0.97926 0.98149 0.98612 0.98755 0.99508 1.00700 1.00929 1.01417 1.02073 1.02355 1.03146 1.03477 1.03822 1.04205 1.04783 1.05235 1.05604 1.06046 1.06262 1.06653 1.06888 1.07096 1.07315 1.07399 1.07598 1.08138 1.09167 1.09401 1.10375 1.10622 1.10901 1.11459 1.11725 1.12319 1.12522 1.12944 1.13331 1.13686 1.13906 1.14298 1.14494 1.15443 1.15857 1.16378 1.17031 1.17243 1.17964 1.19037 1.19697 1.19957 1.21116 1.21196 1.21536 1.22306 1.22848 1.23250 1.24424 1.26146 1.26837 1.27784 1.28739 1.29329 1.29537 1.31014 1.31661 1.32264 1.33644 1.34232 1.35297 1.36040 1.36520 1.37942 1.38342 1.38714 1.39107 1.40298 1.40642 1.41627 1.41852 1.43297 1.43721 1.44544 1.44663 1.46216 1.47292 1.47738 1.48388 1.49458 1.50993 1.52203 1.53833 1.55096 1.56459 1.57101 1.58729 1.59459 1.60131 1.61417 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68 69 70 71 72 73 74 6 6 6 6 6 6 6 8 6 1 6 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 6 6 8 6 8 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 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11192.6774 40623.3102 43732.8451 0.99997 -0.00722 -0.00087 0.00722 0.99997 0.00322 0.00084 -0.00323 0.99999 1 0.00774 0.00213 0.00198 0.16124 0.04443 0.04127 6.30 17.74 24.40 26.55 31.72 40.75 47.30 66.36 82.82 93.00 102.27 113.49 133.95 142.16 153.51 157.55 178.81 193.16 209.03 255.24 283.22 287.18 293.00 329.30 338.48 348.42 352.92 363.86 375.57 378.16 416.30 420.46 441.92 464.68 475.05 481.35 513.36 535.95 571.05 605.31 614.24 627.50 645.61 658.31 673.60 698.62 708.31 724.34 742.34 770.07 796.98 808.96 825.89 835.98 893.80 900.56 909.71 1008.54 1013.03 1037.80 1066.12 1094.90 1117.64 1123.64 1169.92 1196.80 1209.09 1217.84 1252.02 1258.40 1268.68 1271.74 1278.06 1341.20 1351.65 1354.23 1358.53 1362.07 1364.36 1380.65 1396.65 1446.15 1451.11 1476.24 1490.06 1520.72 1526.73 1543.82 1545.51 1561.09 1569.90 1571.27 1578.48 1592.91 1604.06 1621.39 1636.44 1639.49 1670.06 1689.29 1690.89 1695.40 1711.47 1750.83 1758.68 1761.16 1777.47 1796.44 1804.61 1828.17 1847.34 1853.09 1859.06 1860.47 1862.35 1866.13 1896.88 1902.15 1909.18 1918.10 1922.26 1932.13 1953.36 1970.50 1981.66 1986.97 1999.48 2014.76 2029.88 2039.24 2084.61 2085.81 2088.31 2093.43 2099.40 2112.92 2161.73 2174.45 2196.95 2208.50 2218.31 2229.77 2237.13 2251.79 2254.48 2255.09 2258.23 2258.62 2268.99 2275.71 2303.74 2339.10 2342.46 2349.01 2350.07 2351.63 2359.50 2360.94 2363.06 2365.47 2366.09 2369.62 2375.40 2384.99 2385.50 2387.00 2409.42 2417.96 2425.24 2435.28 2478.80 2557.39 2558.71 2621.38 2625.01 2629.61 2760.38 2782.90 4597.28 4611.18 4612.84 4623.97 4625.20 4642.76 4643.91 4658.21 4663.72 4687.96 4693.34 4706.90 4717.64 4718.88 4720.80 4724.90 4732.62 4742.66 4747.80 4759.47 4760.15 4781.71 4789.76 4793.52 4798.80 4802.43 4811.46 4830.96 4834.72 4836.98 4858.17 4858.54 4876.64 4887.35 4911.22 5279.50 5371.87 5585.85 0.685878 0.719629 0.720573 0.613004 -1619.224425 -1619.190674 -1619.189730 -1619.297299 3.607882D-04 MUNgauss RevisionA2.0 retrievium 05-Mar-2020 DUDE Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(ccc4OC)OC C39666210 RHF 6-31G(d) (6D,10F) C1 496.281147 |X|Y|Z| 49.709587 64.141615 141.656360 76.725320 28 6 7 8 24 3 1 |36.858105| |12.605147|36.858105| |7.533330|13.721204|36.858105| |5.000909|7.873835|13.740304|36.858105| |4.423018|6.813594|7.951784|13.773799|36.858105| |5.007317|7.872942|6.900783|7.954571|13.760648|36.858105| |7.545189|13.690837|8.001932|6.902016|7.955971|13.770447|36.858105| |3.355619|4.572904|5.208819|7.943448|13.897760|8.026114|5.235495|73.516695| |2.930447|3.790899|4.352212|6.169089|7.953121|5.594674|4.137293|23.856177|36.858105| |3.018384|3.885971|4.729194|6.866463|7.334412|5.028277|3.985533|16.532630|17.554542|0.500000| |2.834263|3.570080|3.821925|4.845440|6.219470|5.330487|4.043995|13.906537|12.527775|0.246372|36.858105| |2.419581|2.988359|3.365600|4.435401|5.256143|4.114965|3.220769|14.489510|12.520873|0.247686|7.560411|36.858105| |2.376874|2.914042|3.365035|4.445316|4.903027|3.773792|3.047192|12.548600|7.801421|0.195816|5.020817|13.126915|53.358707| |2.092018|2.485183|2.857494|3.579434|3.718968|3.003538|2.540488|8.448166|5.288081|0.145624|3.894660|7.731028|19.379397|36.858105| |1.906714|2.228968|2.526939|3.078858|3.192011|2.655181|2.278441|7.040788|4.654326|0.129592|3.696461|6.734697|11.547612|15.779884|73.516695| |2.037621|2.384080|2.753016|3.348718|3.337104|2.742800|2.388784|7.068933|4.034196|0.114017|3.099920|5.005630|10.735902|12.464753|14.155515|36.858105| |2.145075|2.527284|2.903853|3.541934|3.574822|2.944090|2.549683|7.563336|4.028898|0.110750|3.081096|4.836802|10.390757|8.898132|10.528059|17.567866|0.500000| |2.103118|2.437379|2.891824|3.463925|3.236970|2.639843|2.362149|6.463549|3.726559|0.112596|2.900451|4.194254|7.934409|7.577794|10.704898|12.288564|0.243164|36.858105| |1.828321|2.069918|2.399374|2.772255|2.619112|2.210146|2.009306|5.154709|3.037312|0.090861|2.490161|3.436055|5.950768|5.799065|9.726387|8.025772|0.164372|13.099536|53.358707| |1.673637|1.890284|2.143077|2.471448|2.416966|2.074519|1.870652|4.857876|2.886216|0.083461|2.411130|3.417000|5.845478|6.041248|11.066307|7.940214|0.158894|7.897309|17.905308|36.858105| |1.751031|1.998734|2.251837|2.630759|2.633502|2.257149|2.006208|5.415337|3.115344|0.087144|2.553775|3.806153|6.958990|7.362500|11.670057|12.259983|0.242287|7.810767|11.121743|12.365872|36.858105| |1.626558|1.850605|2.040668|2.369567|2.447064|2.143516|1.892566|5.106133|2.966532|0.080281|2.507287|3.750217|6.424686|6.409348|11.392920|7.323391|0.173530|4.971787|6.966493|7.404118|12.392125|36.858105| |1.446668|1.618750|1.764708|2.000884|2.049913|1.834517|1.648725|4.156395|2.400830|0.065413|2.098104|2.900143|4.664900|4.270703|7.859204|4.823136|0.121259|3.839683|5.760917|6.016175|7.482262|12.507540|36.858105| |1.423950|1.581788|1.719171|1.925864|1.956020|1.764033|1.602495|3.892260|2.189249|0.059849|1.913712|2.559973|4.139510|3.620845|6.286324|4.362756|0.116985|3.623385|5.361832|5.099229|6.448003|7.669576|12.640661|53.358707| |1.325337|1.460184|1.577322|1.748649|1.772435|1.613828|1.477440|3.490384|1.968063|0.053915|1.746011|2.269660|3.578483|3.066385|5.419717|3.567508|0.095784|3.097782|4.640766|4.281346|4.910328|5.668057|9.161748|25.692846|0.500000| |1.449056|1.612728|1.741804|1.951638|2.002056|1.816699|1.645250|3.994243|2.212956|0.059786|1.935390|2.586976|4.182981|3.550984|6.012095|4.233751|0.119375|3.426093|4.814969|4.344094|5.766044|7.030866|9.211447|25.681711|0.328414|0.500000| |1.496803|1.660871|1.826913|2.042161|2.031779|1.813711|1.659562|3.991007|2.227842|0.061976|1.919867|2.553955|4.225834|3.721308|6.258856|4.886474|0.130711|4.314781|6.603350|6.022621|7.413514|6.467902|7.575202|17.187480|0.254475|0.255376|36.858105| |1.698466|1.914037|2.138786|2.439694|2.416740|2.110243|1.908575|4.810245|2.660118|0.074268|2.220367|3.083186|5.412066|4.914803|7.694489|7.599439|0.205695|6.197595|8.711827|7.508211|12.315338|7.611742|6.515517|10.465822|0.157714|0.194961|12.516101|36.858105| |1.762511|1.961767|2.272947|2.553644|2.362809|2.021284|1.875559|4.502940|2.641171|0.080008|2.222681|2.862239|4.688899|4.191854|7.229550|5.202689|0.120214|7.850118|19.160387|7.570933|5.298490|3.825574|3.426688|4.504538|0.082875|0.082821|4.086341|4.847832|36.858105| |1.883132|2.086579|2.451280|2.720064|2.446847|2.085988|1.959726|4.549720|2.637562|0.081234|2.218482|2.756331|4.456056|3.771489|6.331426|4.550997|0.111035|7.039061|11.641157|5.301557|4.273230|3.217099|2.877527|3.852730|0.071553|0.072704|3.437999|4.083160|15.872981|73.516695| |1.549460|1.700552|1.930791|2.131590|2.003417|1.751449|1.636613|3.805390|2.242447|0.066879|1.944982|2.437773|3.847975|3.395199|6.145682|3.982380|0.094661|5.017869|10.606616|6.480227|4.442900|3.491988|3.363993|4.428032|0.084303|0.079504|3.952303|4.187218|12.634153|14.314195|36.858105| |1.480153|1.616168|1.825898|2.003867|1.887699|1.660135|1.556153|3.574088|2.143412|0.064252|1.893116|2.313832|3.533639|3.069849|5.759603|3.363413|0.080421|4.068227|7.695395|5.101769|3.643155|3.057104|2.966470|3.794049|0.073472|0.068854|3.190820|3.319314|7.628703|10.744828|13.824653|36.858105| |1.336327|1.445361|1.611052|1.747949|1.661403|1.482617|1.397523|3.131587|1.869414|0.055352|1.681880|2.012330|3.017104|2.572707|4.853286|2.775386|0.067993|3.178129|5.618046|4.031711|3.061037|2.696565|2.725067|3.518050|0.069968|0.063759|2.890467|2.867443|5.031253|7.635028|7.912077|13.661708|36.858105| |1.267292|1.365157|1.510770|1.631063|1.558508|1.401224|1.323886|2.933486|1.726926|0.050551|1.556274|1.863046|2.808688|2.382346|4.428774|2.623435|0.065371|2.931745|5.112949|3.790304|2.976954|2.649225|2.775109|3.694514|0.074993|0.066339|3.068273|2.910991|4.448035|6.782025|6.863497|7.935973|13.747484|36.858105| |1.311094|1.416145|1.570152|1.699511|1.623265|1.456061|1.373515|3.060208|1.778927|0.051846|1.585708|1.927506|2.962187|2.528178|4.601565|2.892363|0.072483|3.240735|5.765857|4.273982|3.374592|2.921008|3.095565|4.278218|0.086728|0.075800|3.735255|3.452952|5.043365|7.486654|7.958888|6.901721|7.934648|13.703929|36.858105| |1.443906|1.572980|1.763628|1.927711|1.828630|1.620258|1.520720|3.461645|2.005824|0.058810|1.755975|2.182492|3.436532|2.984857|5.335178|3.561676|0.087810|4.177598|8.015268|5.579037|4.187138|3.384723|3.453717|4.789958|0.093455|0.084587|4.440890|4.318394|7.572424|10.257709|13.678714|7.942281|6.848267|7.920331|13.837323|36.858105| |1.482065|1.616830|1.809896|1.978257|1.880486|1.668443|1.565408|3.557694|2.021189|0.058712|1.755410|2.201109|3.529298|3.042587|5.253868|3.812746|0.096883|4.383139|7.924804|5.516036|4.581224|3.594134|3.684018|5.476010|0.105573|0.096780|5.596085|5.320619|6.720617|9.668240|7.968250|5.221211|4.585520|5.200657|7.970892|13.876292|73.516695| |1.495314|1.615219|1.807111|1.944011|1.825572|1.629806|1.548368|3.390395|1.899659|0.055364|1.657061|2.021840|3.210924|2.672060|4.533048|3.300093|0.087189|3.860629|6.299877|4.115086|3.677117|2.957906|2.975136|4.477361|0.087196|0.082718|4.385767|4.341251|5.531260|9.256290|5.906570|4.293428|3.861996|4.317846|6.011547|8.105112|23.864801|36.858105| |1.284486|1.383350|1.534424|1.656204|1.577694|1.415843|1.338549|2.963053|1.784910|0.052926|1.629851|1.906436|2.795548|2.346394|4.481488|2.448160|0.060423|2.756194|4.630694|3.345236|2.635095|2.389487|2.401083|3.061736|0.061157|0.056264|2.442359|2.438246|3.959986|6.319172|5.303755|8.225184|14.197697|7.875836|5.202207|4.623416|6.166129|3.053815|73.516695| |1.174678|1.255819|1.379328|1.476135|1.413906|1.282570|1.218422|2.643582|1.582593|0.046515|1.462504|1.683158|2.443724|2.021477|3.841183|2.100295|0.052703|2.308432|3.757683|2.766539|2.267748|2.105741|2.156645|2.780272|0.056411|0.051375|2.185184|2.138354|3.118954|5.087818|3.983532|5.260401|8.009779|6.705106|4.504775|3.787739|5.307781|2.692468|24.131859|36.858105| |17.564439|8.834968|5.712288|4.222465|3.958655|4.659228|6.949587|5.506275|2.676861|0.075015|2.603037|2.258352|3.031600|1.966911|3.187811|1.927682|0.056796|1.965465|2.338454|1.586676|1.672326|1.564730|1.399210|1.884857|0.035883|0.039335|1.450154|1.636337|1.652573|3.118647|1.462368|1.393191|1.264739|1.206959|1.252151|1.374423|2.520926|1.433107|2.158283|1.115249|0.500000| |17.537354|8.841700|6.082262|4.373854|3.973278|4.505507|6.436563|5.510460|2.800305|0.080364|2.796401|2.308009|3.032748|1.973064|3.238975|1.900988|0.054959|1.961881|2.348665|1.587472|1.646863|1.539999|1.375427|1.832821|0.034933|0.037949|1.408508|1.586746|1.669588|3.160995|1.479578|1.426153|1.292850|1.222456|1.256572|1.375975|2.492313|1.409778|2.224055|1.147071|0.302252|0.500000| |17.578838|8.835598|7.173826|4.722775|3.957354|4.173402|5.592228|5.495541|2.738518|0.079792|2.596422|2.299815|3.132175|2.055462|3.329678|2.032395|0.059292|2.134967|2.532397|1.685701|1.751244|1.610365|1.437607|1.935843|0.036811|0.040066|1.508034|1.710938|1.813556|3.484239|1.590822|1.516824|1.367551|1.297143|1.343725|1.482235|2.706882|1.549480|2.332811|1.199047|0.301837|0.302110|0.500000| |6.978382|8.919076|17.707060|8.954437|5.662335|4.965712|5.668452|7.489892|3.725585|0.115489|3.285561|3.005940|4.174917|2.693748|4.272707|2.650796|0.076852|2.874375|3.279302|2.119487|2.191669|1.963182|1.712768|2.283267|0.042900|0.046925|1.800856|2.099511|2.329661|4.553293|1.975422|1.870076|1.647254|1.541775|1.600897|1.799618|3.274888|1.859161|2.789287|1.408842|0.145859|0.160307|0.218252|0.500000| |4.081530|5.619001|8.904163|17.712284|8.920828|5.652063|4.966786|12.820005|6.287912|0.216281|4.611391|4.735218|6.826080|4.100320|6.169998|3.866494|0.111548|4.179903|4.402831|2.801144|2.946337|2.582269|2.156805|2.813753|0.051852|0.057682|2.220860|2.696157|2.967186|5.690724|2.413825|2.255656|1.936353|1.792273|1.870744|2.148600|3.906325|2.151049|3.242303|1.607892|0.097531|0.101679|0.112376|0.216125|0.500000| |4.080880|5.610452|4.967403|5.663259|8.955923|17.729128|8.884150|13.092495|5.341010|0.125785|5.459532|4.123798|4.996163|2.919890|4.636052|2.633353|0.078560|2.471404|2.852831|2.004670|2.199485|2.133723|1.830463|2.386316|0.044624|0.050443|1.778038|2.051508|1.905119|3.451043|1.668486|1.584941|1.424613|1.351329|1.403084|1.552865|2.843543|1.553327|2.422801|1.239786|0.110166|0.105380|0.096028|0.107758|0.124463|0.500000| |7.002098|8.910105|5.669705|4.965957|5.662752|8.962061|17.702238|7.531682|3.488950|0.092335|3.544690|2.825506|3.624340|2.258923|3.646866|2.132693|0.063105|2.095307|2.465867|1.704015|1.825863|1.742212|1.534484|2.036119|0.038523|0.042769|1.539319|1.748731|1.698686|3.140100|1.500238|1.431344|1.296124|1.233140|1.277363|1.404092|2.569588|1.431873|2.213826|1.140671|0.204470|0.176417|0.141406|0.124310|0.107740|0.215189|0.500000| |2.522478|3.065624|3.300906|4.032970|4.721725|4.124156|3.348699|10.057588|8.843130|0.212641|17.553477|6.862881|6.274253|3.796560|6.736240|2.981617|0.080181|2.817222|3.372178|2.418921|2.506236|2.479715|2.089739|2.563196|0.047937|0.052443|1.880880|2.152719|2.221812|3.914461|1.964822|1.939449|1.727035|1.585961|1.600603|1.762417|3.094918|1.632832|3.002155|1.513925|0.064383|0.069985|0.065149|0.081625|0.111161|0.116085|0.083306|0.500000| |3.219886|4.116846|4.307495|5.280580|6.716750|6.114594|4.718858|12.430789|8.829745|0.212793|17.592308|5.502521|5.648093|3.328041|5.586576|2.773102|0.077237|2.670153|3.133114|2.197175|2.305420|2.235830|1.901132|2.393327|0.044822|0.049382|1.778990|2.045569|2.093807|3.770621|1.836044|1.791318|1.597099|1.479259|1.505101|1.661593|2.954183|1.586163|2.760447|1.398628|0.080875|0.089752|0.080438|0.100907|0.132407|0.167349|0.113672|0.301734|0.500000| |2.668202|3.311043|3.409382|4.179736|5.534098|5.193373|3.892264|12.569223|8.835378|0.173485|17.561432|6.883314|6.354575|3.643942|6.154327|2.933041|0.082233|2.671847|3.152859|2.284947|2.461900|2.474969|2.081801|2.587317|0.048258|0.053885|1.881989|2.158862|2.061023|3.627999|1.822728|1.767553|1.584678|1.479644|1.512459|1.666255|2.980030|1.581205|2.726206|1.385895|0.069599|0.072913|0.067410|0.081445|0.108555|0.162218|0.097869|0.300184|0.301104|0.500000| |2.213065|2.668960|2.997057|3.800178|4.254169|3.461855|2.823815|10.297049|8.847177|0.215641|6.783265|17.655522|12.571072|7.456621|13.893493|4.703365|0.119111|4.067015|4.749019|3.528672|3.752517|3.750096|2.931265|3.440964|0.062694|0.069831|2.505929|2.968310|2.917934|4.930735|2.520075|2.438030|2.119281|1.939151|1.981041|2.229061|3.922550|2.005522|3.602685|1.781047|0.057240|0.059404|0.058870|0.076123|0.114392|0.096013|0.069794|0.201207|0.139558|0.166760|0.500000| |2.304092|2.817444|3.058205|3.885519|4.788780|4.025257|3.125715|12.886430|8.898109|0.174620|7.029842|17.556604|12.436267|6.210504|9.987473|4.371962|0.121724|3.572194|4.106304|3.086374|3.518098|3.648799|2.860371|3.440134|0.062484|0.072046|2.462663|2.916986|2.538412|4.325395|2.209655|2.097570|1.854165|1.737008|1.800384|2.016520|3.641657|1.885120|3.129335|1.572005|0.060667|0.061150|0.060290|0.075451|0.110073|0.118185|0.077808|0.173398|0.142610|0.210751|0.301536|0.500000| |2.578856|3.213674|3.744315|5.068498|5.644778|4.221613|3.365694|14.566453|7.296606|0.182766|4.709436|9.135741|26.055430|9.383289|10.834056|7.518647|0.239807|5.744046|5.642490|3.944132|4.811957|4.313242|3.218134|4.046645|0.071387|0.084782|3.089201|4.020559|3.332364|5.764015|2.711763|2.456424|2.105735|1.980746|2.110035|2.456194|4.571894|2.383371|3.451809|1.706876|0.067352|0.066042|0.069336|0.093521|0.157723|0.112248|0.080654|0.115076|0.112763|0.123422|0.180821|0.207769|0.500000| |2.182294|2.513339|2.998712|3.521650|3.212556|2.640870|2.401411|6.187584|3.407432|0.102385|2.686344|3.661830|6.686118|5.661954|8.118493|8.675310|0.225212|17.608040|12.410076|6.010335|6.298808|4.244638|3.445514|4.673814|0.082353|0.091669|4.224536|6.073839|7.145543|12.973972|4.655970|3.710324|2.962710|2.794505|3.145870|4.066876|7.988589|4.203882|4.556136|2.176881|0.056806|0.055939|0.062215|0.083957|0.117758|0.068009|0.059117|0.071429|0.070043|0.069196|0.096182|0.088797|0.144824|0.500000| |2.260578|2.649743|3.219390|3.944323|3.589607|2.851908|2.542446|7.138902|4.269447|0.136288|3.245737|4.639173|8.490793|7.510635|10.915188|8.656503|0.188387|17.605495|12.326831|6.099886|5.740325|4.183984|3.296298|4.161471|0.074240|0.081070|3.484885|4.610350|6.800806|11.998178|4.528340|3.930416|3.063627|2.753157|2.941919|3.665588|6.539964|3.336409|4.855687|2.278607|0.057880|0.058818|0.063734|0.089180|0.138240|0.073140|0.061928|0.088031|0.083160|0.080788|0.126627|0.105055|0.165953|0.303820|0.500000| |1.543806|1.721695|1.932130|2.186119|2.134632|1.863583|1.700374|4.217699|2.480964|0.071415|2.123097|2.871554|4.721905|4.529334|8.363463|5.664925|0.126547|5.787853|12.424081|17.665180|8.626888|6.309064|6.180394|7.489878|0.133027|0.123527|6.785836|7.036823|7.065047|8.758924|7.374175|5.555579|4.559173|4.498452|5.330565|7.092586|12.192105|4.634154|6.446418|3.012569|0.040845|0.040773|0.043328|0.053406|0.067922|0.050178|0.043374|0.059284|0.054293|0.056308|0.082252|0.073560|0.090398|0.136949|0.130440|0.500000| |1.647789|1.864753|2.106798|2.440436|2.411081|2.070293|1.856475|4.900264|3.006832|0.086987|2.537020|3.638877|6.007409|6.370502|13.584012|6.831908|0.138167|6.511555|12.345555|17.607350|8.805962|7.057388|5.678007|6.047014|0.106707|0.107190|4.737634|5.500448|6.181146|8.189215|5.636490|5.015299|4.018305|3.638520|3.861596|4.695676|7.772962|3.417326|6.156513|2.845630|0.043276|0.043731|0.045849|0.057577|0.076553|0.055865|0.047031|0.071994|0.063542|0.066550|0.108738|0.090695|0.107735|0.136640|0.158750|0.301554|0.500000| |1.621536|1.850115|2.039015|2.381127|2.478285|2.165676|1.900267|5.238644|3.153118|0.085071|2.686706|4.123883|6.798081|7.017063|14.592701|6.591791|0.150132|4.681658|6.581190|6.885495|8.790678|17.646666|8.984092|7.614170|0.126916|0.143789|4.856092|5.516947|3.662318|5.498913|3.373549|3.067328|2.706801|2.601064|2.782576|3.169352|5.733138|2.679143|4.344891|2.146242|0.043154|0.042928|0.044404|0.054294|0.072069|0.060135|0.048576|0.075092|0.065638|0.073526|0.119487|0.111149|0.119872|0.107857|0.115656|0.158846|0.215700|0.500000| |1.673330|1.913331|2.091793|2.436912|2.565648|2.262828|1.980243|5.416741|3.066306|0.080945|2.587396|3.906326|6.725602|6.152511|10.097171|6.802623|0.183906|4.485916|5.824275|5.444324|8.799836|17.494464|8.902646|9.413363|0.144392|0.206503|5.685924|6.826663|3.312800|5.146492|2.988343|2.638811|2.350929|2.319088|2.548629|2.919355|5.600019|2.694540|3.750796|1.882004|0.044979|0.043829|0.045756|0.055323|0.072733|0.063207|0.050749|0.069944|0.063875|0.072155|0.104484|0.109468|0.129251|0.110788|0.106965|0.132061|0.143855|0.303951|0.500000| |1.395460|1.553065|1.698308|1.914563|1.939615|1.734609|1.570177|3.893159|2.278626|0.062984|2.005714|2.715459|4.297033|3.959585|7.567656|4.415620|0.107584|3.765566|6.023908|6.587872|6.713722|8.746634|17.627082|12.429765|0.224301|0.181240|6.934984|5.749310|3.663432|5.340060|3.773375|3.355185|3.118869|3.198841|3.558402|3.910037|7.142182|3.134002|4.829849|2.428726|0.037363|0.037000|0.038664|0.046125|0.057631|0.047823|0.040597|0.056073|0.050731|0.054781|0.077711|0.073278|0.081669|0.093011|0.090642|0.208165|0.177550|0.212768|0.173083|0.500000| |1.381695|1.541690|1.663278|1.877060|1.945203|1.762117|1.582817|3.946893|2.282052|0.061443|2.030936|2.757095|4.287275|3.772308|7.041683|4.002019|0.103661|3.227477|4.701939|4.583257|5.454920|8.769367|17.625172|12.363729|0.222964|0.224590|5.570597|4.893649|2.886093|4.417266|2.854692|2.592533|2.428290|2.471187|2.696902|2.921095|5.457377|2.560191|3.887099|1.995617|0.037265|0.036613|0.037966|0.044639|0.055543|0.049310|0.041189|0.056339|0.051040|0.056641|0.077610|0.077277|0.082056|0.081399|0.079425|0.129163|0.126580|0.212526|0.215427|0.301326|0.500000| |1.439264|1.588490|1.751555|1.947429|1.920354|1.713998|1.577462|3.746125|2.121930|0.059702|1.842282|2.414531|3.928670|3.488766|6.064422|4.440145|0.113648|4.196252|6.976889|6.526990|6.600798|5.655185|6.870034|12.368828|0.224201|0.180774|17.666124|8.748434|4.499886|6.505037|4.663273|3.681832|3.368340|3.673629|4.660717|5.583894|12.649136|4.999390|4.926089|2.465708|0.038593|0.037800|0.040412|0.048303|0.059104|0.046516|0.040664|0.050611|0.047567|0.049832|0.066916|0.064071|0.078634|0.112393|0.095386|0.237584|0.140986|0.126711|0.131318|0.206247|0.142102|0.500000| |1.459257|1.606937|1.756058|1.939222|1.924472|1.735950|1.602490|3.728047|2.051911|0.056986|1.782716|2.306855|3.760974|3.183766|5.301740|4.077711|0.114330|3.722776|5.487905|4.588888|5.428873|4.885014|5.573648|12.364840|0.222113|0.225328|17.625471|8.782213|3.579614|5.573204|3.481302|2.844631|2.622652|2.825521|3.454655|3.999894|9.248813|4.412721|3.972078|2.029063|0.039482|0.038053|0.040950|0.048227|0.058085|0.047268|0.041482|0.048260|0.046282|0.048723|0.062323|0.062238|0.077824|0.105662|0.085414|0.140697|0.104485|0.107477|0.128551|0.142704|0.126492|0.302093|0.500000| |1.758984|1.990856|2.208089|2.522878|2.533671|2.225216|2.002570|5.060020|2.721084|0.074642|2.264766|3.144742|5.555694|4.758010|7.174261|7.066207|0.227960|5.405354|6.813696|5.494916|8.789002|6.819921|5.691192|9.386863|0.144040|0.204835|8.913487|17.508118|3.962110|6.271131|3.420201|2.813962|2.469092|2.499221|2.901122|3.496867|7.487072|3.698640|3.814950|1.906900|0.047386|0.045368|0.049009|0.059637|0.076403|0.060404|0.051035|0.060158|0.057980|0.061837|0.081907|0.084216|0.119069|0.153737|0.116900|0.140611|0.123171|0.139572|0.200354|0.132378|0.127903|0.173335|0.217248|0.500000| |1.747869|1.960435|2.213184|2.503332|2.420765|2.104414|1.925549|4.716384|2.594383|0.073807|2.160602|2.914726|5.075241|4.482326|6.983501|6.924353|0.188351|6.911588|9.854257|7.047205|8.738255|5.515194|4.892037|7.641778|0.127358|0.143561|9.044959|17.612897|5.758996|8.726559|4.729301|3.579183|3.032997|3.082344|3.740831|4.914034|11.568455|5.430669|4.515872|2.210192|0.046610|0.045209|0.049373|0.061154|0.077735|0.056123|0.048825|0.058100|0.055943|0.057743|0.077907|0.075404|0.106544|0.209021|0.138057|0.187549|0.141086|0.123087|0.139408|0.128981|0.107804|0.215510|0.212982|0.303343|0.500000| |1.542762|1.689707|1.920474|2.115172|1.981852|1.732688|1.622262|3.749464|2.283767|0.069417|2.019267|2.446667|3.687939|3.183515|6.050300|3.363691|0.079923|4.123458|7.429885|4.771996|3.480743|2.946457|2.780367|3.496571|0.067224|0.064391|2.879851|3.078535|7.036994|10.685589|8.906845|17.737932|8.954180|5.662041|4.968766|5.637370|7.482947|3.623546|13.538436|4.881609|0.040090|0.041455|0.043887|0.054733|0.066590|0.045788|0.041304|0.057954|0.053111|0.051846|0.072505|0.060888|0.070523|0.102437|0.116485|0.133829|0.137249|0.083935|0.071275|0.085872|0.068307|0.089444|0.071455|0.073869|0.091276|0.500000| |1.183571|1.268117|1.393027|1.494648|1.434378|1.300049|1.232513|2.691231|1.581705|0.046061|1.440218|1.700025|2.533262|2.121528|3.949694|2.304291|0.058148|2.521580|4.236588|3.184653|2.599080|2.376826|2.524250|3.376163|0.069648|0.061097|2.737995|2.560417|3.557637|5.602864|4.951275|5.632431|8.873787|17.767893|8.950660|5.658726|7.499140|3.670467|12.470595|7.409134|0.031402|0.031802|0.033616|0.039451|0.045251|0.034943|0.032042|0.040821|0.038126|0.038202|0.049138|0.044371|0.049716|0.067188|0.066304|0.103064|0.086141|0.065064|0.058482|0.080361|0.063616|0.089704|0.071133|0.062141|0.074341|0.124183|0.500000| |1.248517|1.342609|1.477910|1.590769|1.526536|1.379955|1.305527|2.869944|1.654088|0.047831|1.482293|1.788911|2.739771|2.310507|4.171841|2.645350|0.067610|2.886741|4.920421|3.716171|3.101711|2.747433|2.987058|4.265692|0.088650|0.075747|3.711205|3.289229|4.109533|6.327782|5.659565|4.966980|5.644455|8.902288|17.718227|8.978838|12.944012|5.917217|7.444456|3.896041|0.033284|0.033213|0.035530|0.041789|0.048237|0.037059|0.033874|0.041406|0.039160|0.039523|0.050732|0.046861|0.054611|0.079105|0.072558|0.127307|0.093093|0.071868|0.067519|0.094447|0.073089|0.128770|0.098494|0.077912|0.098140|0.107793|0.216242|0.500000| |1.591750|1.719363|1.943952|2.085814|1.928836|1.710224|1.631380|3.551359|1.990271|0.058692|1.726820|2.091403|3.324026|2.743654|4.617226|3.376982|0.089009|4.171259|6.682657|4.043992|3.576375|2.834574|2.758267|4.032105|0.077484|0.075609|3.832230|4.054531|6.339033|11.710446|6.218144|4.509089|3.881355|4.094007|5.275629|7.231059|16.399901|17.606700|5.516363|2.689290|0.042131|0.041620|0.046111|0.056112|0.064760|0.044903|0.041693|0.047208|0.046136|0.045413|0.057549|0.053616|0.068818|0.129741|0.101784|0.120498|0.094323|0.072341|0.072129|0.080081|0.066352|0.117150|0.104965|0.097566|0.142565|0.108219|0.095984|0.135554|0.500000| |1.390741|1.489379|1.652831|1.761232|1.658622|1.494716|1.428277|3.064813|1.723081|0.050121|1.522657|1.824461|2.845418|2.343543|4.033406|2.799761|0.074170|3.199285|5.148797|3.480586|3.108461|2.605539|2.674364|4.001816|0.079965|0.074146|3.739673|3.564730|4.491133|7.634071|5.134244|4.032069|3.858943|4.534388|6.360471|7.192249|16.397402|17.589750|5.460586|2.779389|0.037106|0.036592|0.040049|0.047314|0.053668|0.039686|0.036896|0.041844|0.040634|0.040455|0.050529|0.047529|0.058413|0.094726|0.079110|0.109627|0.083252|0.066468|0.066266|0.078970|0.065110|0.119074|0.105910|0.086408|0.116871|0.094024|0.110078|0.188812|0.299038|0.500000| |1.511557|1.632797|1.818048|1.952664|1.842602|1.652092|1.569998|3.418677|1.888774|0.054562|1.644513|2.010337|3.211861|2.642904|4.410423|3.311429|0.090224|3.743706|5.768402|3.859436|3.686108|2.983480|3.006641|4.702236|0.091277|0.088393|4.729060|4.645252|4.671866|7.945972|4.645160|3.534580|3.207720|3.538470|4.676722|5.872839|16.784644|17.622304|4.665187|2.351084|0.040465|0.039386|0.043476|0.051747|0.059598|0.043819|0.040400|0.044680|0.043743|0.043849|0.054767|0.052470|0.067115|0.116314|0.088805|0.118063|0.088717|0.073717|0.076982|0.085729|0.072049|0.142304|0.140418|0.112859|0.164681|0.085689|0.086288|0.133085|0.298986|0.299696|0.500000| 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