Version2.1 2020-12-28T16:00:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H]1[C@@H](C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)N3CCC4=c5ccccc5=[NH+][C@@H]4C3 C64640539 RHF 6-31G(d) (6D,7F) CC[C@@H]1[C@@H](C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)N3CCC4=c5ccccc5=[NH+][C@@H]4C3 C01[X(C27H38N4O2)] 207 C1 571 CC[C@@H]1[C@@H](C(=O)C=C(N1C[C@@H]1CCC[NH+]1CC)C)C(=O)N1CCC2=c3c(=[NH+][C@@H]2C1)cccc3 CC[C@@H]1[C@@H](C(=O)C=C(N1C[C@@H]1CCC[NH+]1CC)C)C(=O)N1CCC2=c3c(=[NH+][C@@H]2C1)cccc3 CC[C@@H]1[C@@H](C(=O)C=C(C)N1C[C@@H]2CCC[NH+]2CC)C(=O)N3CCC4=C5C=CC=CC5=[NH+][C@@H]4C3 InChIKey=QPVPMEIRSWNKSS-NOUAUOJKSA-P InChI=1S/C27H36N4O2/c1-4-24-26(25(32)15-18(3)31(24)16-19-9-8-13-29(19)5-2)27(33)30-14-12-21-20-10-6-7-11-22(20)28-23(21)17-30/h6-7,10-11,15,19,23-24,26H,4-5,8-9,12-14,16-17H2,1-3H3/p+2/t19-,23+,24+,26-/m0/s1 InChI=1/C27H36N4O2/c1-4-24-26(25(32)15-18(3)31(24)16-19-9-8-13-29(19)5-2)27(33)30-14-12-21-20-10-6-7-11-22(20)28-23(21)17-30/h6-7,10-11,15,19,23-24,26H,4-5,8-9,12-14,16-17H2,1-3H3/p+2/t19-,23+,24+,26-/m0/s1/fC27H38N4O2/h28-29H/q+2 CC[C@@H]1[C@@H](C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)N3CCC4=c5ccccc5=[NH+][C@@H]4C3 C01[X(C27H38N4O2)] 207 C01 571 CC[C@@H]1[C@@H](C(=O)C=C(N1C[C@@H]1CCC[NH+]1CC)C)C(=O)N1CCC2=c3c(=[NH+][C@@H]2C1)cccc3 CC[NH]1CCC[C@H]1CN1C(=CC(=O)[C@H]([C@H]1CC)C(=O)N1CCC2=[C]3[C]([NH][C@@H]2C1)[CH]=[CH][CH]=[CH]3)C CC[C@@H]1[C@@H](C(=O)C=C(C)N1C[C@@H]2CCC[NH]2CC)C(=O)N3CCC4=C5C=CC=C[C]5N[C@@H]4C3 InChIKey=KQLAWBSUUSMZMD-NOUAUOJKSA-N InChI=1S/C27H38N4O2/c1-4-24-26(25(32)15-18(3)31(24)16-19-9-8-13-29(19)5-2)27(33)30-14-12-21-20-10-6-7-11-22(20)28-23(21)17-30/h6-7,10-11,15,19,23-24,26,28-29H,4-5,8-9,12-14,16-17H2,1-3H3/t19-,23+,24+,26-/m0/s1 InChI=1/C27H38N4O2/c1-4-24-26(25(32)15-18(3)31(24)16-19-9-8-13-29(19)5-2)27(33)30-14-12-21-20-10-6-7-11-22(20)28-23(21)17-30/h6-7,10-11,15,19,23-24,26,28-29H,4-5,8-9,12-14,16-17H2,1-3H3/t19-,23+,24+,26-/m0/s1 3494.1556533931 -1411.633797 1-A 21134.7500 121 450 571 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.71552 -20.70966 -15.91062 -15.81913 -15.78139 -15.77889 -11.53872 -11.52906 -11.51040 -11.50517 -11.50182 -11.50173 -11.49597 -11.48730 -11.48637 -11.48369 -11.46384 -11.46179 -11.46134 -11.46077 -11.44946 -11.44922 -11.44711 -11.44452 -11.43381 -11.43180 -11.43059 -11.42906 -11.42487 -11.40855 -11.37957 -11.37713 -11.37286 -1.58444 -1.56252 -1.55559 -1.52753 -1.47148 -1.44530 -1.35038 -1.32075 -1.31453 -1.28744 -1.26852 -1.24172 -1.24017 -1.23627 -1.22507 -1.21042 -1.19138 -1.15356 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10.2119 6.9983 5.0666 15.2291 8.4140 26.6758 11.7858 6.5289 95.0508 55.6712 129.5915 74.6266 11.8984 141.3270 19.7500 92.9634 92.4346 37.3221 98.9741 111.0322 137.3470 55.6774 21.3957 156.5121 29.2398 55.1497 46.7508 55.2284 135.7908 89.6761 108.3111 38.3176 110.5559 50.7794 78.4690 96.7414 70.6978 50.6674 61.6980 23.5848 53.0197 45.5505 46.8593 45.5720 128.7407 66.2378 77.3899 134.4309 89.1593 245.1404 28.0836 73.9908 0.7464 0.7498 0.7468 0.7348 0.7443 0.7457 0.7341 0.7497 0.7475 0.6214 0.7500 0.7334 0.6544 0.7489 0.6979 0.3806 0.5975 0.1343 0.6998 0.4899 0.4289 0.5485 0.4247 0.0502 0.4110 0.3574 0.6246 0.6897 0.6946 0.3443 0.7499 0.5409 0.2033 0.5264 0.7498 0.3539 0.7122 0.4442 0.7389 0.7435 0.7036 0.7471 0.2791 0.7047 0.3948 0.7126 0.2612 0.6898 0.3061 0.3375 0.3323 0.6353 0.2963 0.6435 0.1597 0.4636 0.2676 0.3684 0.1285 0.4317 0.5761 0.0672 0.7366 0.6607 0.3675 0.2060 0.4767 0.1690 0.5234 0.1267 0.7471 0.7211 0.1625 0.5991 0.2126 0.5894 0.4203 0.5362 0.3228 0.5670 0.2049 0.5275 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0.8234 0.6576 0.6003 0.7084 0.5962 0.0956 0.5826 0.5266 0.7689 0.8164 0.8198 0.5123 0.8571 0.7021 0.3379 0.6898 0.8570 0.5228 0.8319 0.6151 0.8498 0.8529 0.8260 0.8552 0.4365 0.8268 0.5661 0.8322 0.4142 0.8165 0.4687 0.5046 0.4989 0.7769 0.4572 0.7831 0.2754 0.6335 0.4223 0.5384 0.2277 0.6030 0.7310 0.1260 0.8483 0.7957 0.5374 0.3417 0.6456 0.2891 0.6871 0.2249 0.8552 0.8380 0.2796 0.7493 0.3506 0.7417 0.5918 0.6981 0.4881 0.7236 0.3402 0.6907 0.6959 0.7725 0.5627 0.7281 0.4379 0.8197 0.5335 0.5120 0.7275 0.8514 0.7401 0.5681 0.6644 0.4945 0.2912 0.2696 0.7662 0.8344 0.7933 0.3917 0.4552 0.4918 0.6564 0.2908 0.7612 0.6748 0.8096 0.8570 0.4584 0.6780 0.5919 0.8380 0.8157 0.3529 0.5563 0.7961 0.8425 0.8293 0.8421 0.2558 0.8445 0.5012 0.8570 0.7782 0.5649 0.5466 0.6865 0.5650 0.7019 0.8550 0.6141 0.7713 0.3209 0.6918 0.8245 0.8262 0.8331 0.6129 0.8354 0.3821 0.7469 0.8541 0.6769 0.4919 0.4310 0.8224 0.8106 0.8171 0.8481 0.3070 0.8267 0.8555 0.8571 0.8340 0.8399 0.8404 0.8516 0.8542 0.7249 0.6533 0.8414 0.7755 0.5177 0.3566 0.5532 0.4851 0.5168 0.7381 0.0272 0.1482 0.3903 0.1607 0.0769 0.3955 0.7414 0.8339 0.2089 0.3648 0.3408 0.5781 0.0989 0.1726 0.6995 0.7435 0.8563 0.2288 0.8474 0.8171 0.7050 0.3083 0.6410 0.7850 0.8539 0.7976 0.4695 0.8484 0.4881 0.4940 0.7525 0.8563 0.4832 0.4324 0.2508 0.3763 0.4758 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 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 60 61 62 63 64 65 66 67 68 69 70 71 6 6 6 1 6 1 6 8 6 6 7 6 6 1 6 6 6 7 1 6 6 6 6 8 7 6 6 6 6 6 6 6 6 6 7 1 6 1 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 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 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 6629.5394 34219.7167 34858.8939 0.99999 0.00383 0.00150 -0.00383 0.99999 -0.00103 -0.00150 0.00103 1.00000 1 0.01306 0.00253 0.00248 0.27223 0.05274 0.05177 27.66 31.82 36.25 50.66 59.27 69.66 75.45 88.75 102.74 124.72 153.38 166.39 194.48 214.69 218.93 245.28 258.31 272.69 298.09 315.69 341.05 371.04 374.07 381.36 385.24 394.04 421.77 442.56 463.35 496.53 540.78 552.06 593.81 606.02 627.42 629.48 664.94 672.06 691.80 710.98 758.97 784.25 797.60 812.71 815.37 837.42 839.13 852.50 860.89 902.96 923.54 951.78 973.38 1002.38 1029.44 1051.59 1103.60 1125.70 1161.98 1182.01 1208.25 1217.65 1234.59 1239.62 1250.82 1267.42 1284.19 1301.37 1317.99 1347.00 1371.30 1372.69 1395.99 1402.16 1407.96 1458.50 1460.19 1463.94 1510.88 1516.33 1528.11 1541.41 1566.46 1578.19 1591.08 1606.94 1608.36 1614.27 1636.78 1658.41 1663.60 1669.16 1678.98 1687.73 1695.45 1701.66 1702.56 1726.75 1752.63 1779.38 1781.71 1797.28 1818.16 1828.14 1847.96 1868.87 1880.36 1894.47 1903.08 1918.85 1923.29 1929.02 1971.00 1984.73 1986.83 1995.47 2003.96 2028.02 2059.86 2064.18 2073.87 2085.85 2095.22 2101.31 2116.10 2117.99 2123.79 2136.21 2148.72 2178.78 2182.58 2188.05 2195.21 2199.09 2202.12 2216.08 2226.58 2246.01 2254.81 2257.78 2261.80 2264.58 2277.29 2288.40 2301.91 2304.45 2318.29 2321.02 2342.31 2348.18 2349.86 2357.85 2360.36 2362.09 2363.49 2367.72 2367.97 2373.98 2383.70 2385.88 2390.05 2391.69 2405.60 2507.33 2535.47 2553.81 2647.97 2772.31 2818.46 4598.10 4600.28 4635.02 4641.98 4648.93 4654.24 4655.83 4671.75 4674.00 4683.01 4686.99 4694.79 4700.33 4708.51 4717.26 4721.93 4730.98 4740.26 4746.05 4757.40 4761.27 4763.42 4768.25 4774.37 4781.43 4800.19 4803.05 4806.11 4845.00 4862.99 4869.30 4880.50 4894.71 4906.99 4917.00 4920.56 5310.78 5557.66 0.673891 0.703133 0.704077 0.611397 -1410.959906 -1410.930664 -1410.929720 -1411.022400 3.108502D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE CC[C@@H]1[C@@H](C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)N3CCC4=c5ccccc5=[NH+][C@@H]4C3 C64640539 RHF 6-31G(d) (6D,10F) C1 450.299477 |X|Y|Z| 47.011256 43.431527 130.530942 64.353693 26 6 7 22 4 |36.858105| |12.455241|36.858105| |7.357827|12.344237|36.858105| |6.836122|8.862123|17.600005|0.500000| |4.801527|7.357735|12.328278|0.246806|36.858105| |4.039028|5.458964|8.939037|0.215259|17.496534|0.500000| |4.292956|6.336279|7.690868|0.155015|12.456743|0.251088|36.858105| |3.623581|5.050753|5.419444|0.120380|7.960966|0.177803|15.882947|73.516695| |4.320963|5.794820|6.854159|0.139389|7.626143|0.190025|13.103524|14.426369|36.858105| |4.925132|6.108322|7.815547|0.159773|6.769260|0.180433|7.753058|9.523830|14.131120|36.858105| |6.139628|7.595645|12.879042|0.254465|7.872120|0.209392|6.699948|8.396530|8.019725|13.801794|53.358707| |5.684440|5.647384|7.610669|0.208153|5.188920|0.147014|4.448396|6.186195|5.121497|7.642417|17.941840|36.858105| |4.115856|4.214489|5.764319|0.176715|4.628019|0.144520|3.827220|5.504313|4.155027|5.472152|10.476490|12.398268|36.858105| |4.103545|4.335384|6.194456|0.212337|5.089942|0.162886|3.908911|5.657182|3.966648|4.880655|9.483816|8.803962|17.622632|0.500000| |3.244071|3.438674|4.539939|0.128819|4.154673|0.136972|3.664215|5.359708|4.090308|5.190806|8.214817|7.282498|12.493126|0.246722|36.858105| |2.709472|2.803978|3.517716|0.103919|3.305549|0.107048|2.908586|4.437618|3.103042|3.668859|5.685911|4.963559|7.913082|0.196195|12.423788|36.858105| |2.804262|2.769960|3.356946|0.102291|2.995447|0.092603|2.616649|4.020310|2.774831|3.308878|5.299831|5.012788|7.838565|0.192697|7.821619|12.386652|36.858105| |3.544701|3.387449|4.138116|0.127924|3.421668|0.102864|2.949054|4.431532|3.176302|3.972431|6.805744|7.547778|12.551914|0.253058|8.098857|7.820969|12.543468|53.358707| |3.456830|3.241584|3.819613|0.112801|3.162092|0.093539|2.832242|4.273805|3.144676|3.995648|6.522844|7.318143|9.349518|0.182847|7.316585|6.652699|9.341233|25.714771|0.500000| |3.690368|3.334670|3.845714|0.123692|3.115634|0.090095|2.661706|4.073478|2.783106|3.361829|5.768474|5.973765|7.310725|0.191418|5.032723|5.057244|7.490243|17.151007|0.261423|36.858105| |3.671199|3.404093|3.960683|0.135936|3.263672|0.094172|2.680637|4.140008|2.681158|3.118979|5.415931|5.031778|6.121046|0.196365|4.360016|4.473953|5.885945|10.153884|0.157315|12.527547|36.858105| |4.063031|4.419445|5.004720|0.115852|4.416449|0.122687|4.971807|7.035037|7.720868|12.639240|10.394769|6.500481|4.879805|0.113992|4.966673|3.574317|3.257604|5.264596|0.115173|3.216459|2.845726|36.858105| |4.183994|5.981758|7.420602|0.193476|12.460104|0.248842|7.365841|11.853565|4.920935|4.411561|6.816675|3.885582|3.656792|0.115409|3.290848|2.815435|2.613474|3.952347|0.073983|2.767068|3.030130|3.270976|36.858105| |4.596993|6.367994|6.879845|0.198297|8.041677|0.172376|5.485794|9.019825|4.093972|3.861642|6.163617|3.718705|3.457685|0.109826|3.000606|2.624222|2.522666|3.865256|0.072163|2.815639|3.163509|2.969542|15.870029|73.516695| |3.221079|4.223913|4.973297|0.132796|7.602559|0.195212|5.954748|10.989344|4.159557|3.641057|5.295765|3.162880|3.104288|0.096876|2.942185|2.595401|2.368230|3.450649|0.064936|2.398732|2.617508|2.840618|13.909322|15.178596|53.358707| |2.776071|3.527670|4.189071|0.109022|6.292523|0.183860|5.825562|11.329558|4.217210|3.576631|4.913414|2.947458|2.946210|0.089644|2.947247|2.601941|2.303950|3.279292|0.062350|2.222567|2.366194|2.851117|7.503800|9.390418|17.831195|36.858105| |2.469015|3.074768|3.388664|0.086969|4.639761|0.126663|4.934932|10.947725|3.731297|3.089569|4.080388|2.487103|2.433349|0.072066|2.445700|2.181069|1.959496|2.786446|0.053892|1.908517|2.004979|2.554832|5.329942|7.488363|10.441881|12.316096|36.858105| |2.310734|2.815527|2.990830|0.078944|3.850059|0.102591|3.874422|8.235184|3.033119|2.608654|3.536693|2.214711|2.170184|0.064749|2.140113|1.948551|1.787669|2.540169|0.049027|1.777255|1.892552|2.196533|4.773840|7.309689|9.277825|7.687498|12.789717|36.858105| |1.994720|2.355650|2.470565|0.066121|3.027913|0.082017|3.048431|6.276647|2.510637|2.206249|2.988254|1.917651|1.895048|0.056219|1.880816|1.742850|1.608358|2.261415|0.043810|1.591567|1.692691|1.908242|3.604624|5.800066|6.406212|5.194704|7.322987|14.058533|36.858105| |1.766154|2.050247|2.155738|0.057666|2.590582|0.071532|2.657407|5.400537|2.267316|2.004529|2.680934|1.740711|1.731744|0.050859|1.746209|1.631792|1.499135|2.085826|0.040640|1.460251|1.538278|1.769849|2.928952|4.723846|4.960285|4.199586|5.699281|7.423588|13.206470|36.858105| |1.596070|1.820641|1.894328|0.051144|2.215534|0.061121|2.250641|4.483398|1.959689|1.760803|2.368297|1.560819|1.556628|0.045627|1.565146|1.478706|1.370741|1.900142|0.037089|1.340527|1.413686|1.575106|2.490340|4.124777|4.071733|3.290246|4.091325|5.137439|7.960859|14.197852|36.858105| |1.580086|1.789041|1.840250|0.050143|2.120783|0.057923|2.117396|4.174764|1.841946|1.672136|2.276518|1.510512|1.503779|0.044271|1.493455|1.417107|1.328316|1.847714|0.035992|1.317852|1.400224|1.494557|2.428051|4.126213|3.916982|3.003146|3.567047|4.655750|6.891794|7.868172|13.176812|36.858105| |1.718074|1.955969|1.998973|0.054718|2.307462|0.062242|2.268079|4.472685|1.943066|1.765326|2.429123|1.606133|1.592305|0.047206|1.561794|1.476772|1.392109|1.950458|0.037842|1.400459|1.500544|1.561048|2.723266|4.700817|4.425355|3.247455|3.794164|5.302030|7.661929|6.606782|7.702124|14.035061|36.858105| |1.954830|2.275992|2.341900|0.063685|2.781462|0.074345|2.723357|5.465810|2.265822|2.030652|2.798167|1.820072|1.796250|0.053558|1.755174|1.640577|1.537440|2.168617|0.041922|1.549719|1.664825|1.763991|3.394999|5.756931|5.789088|4.206516|5.107874|8.443054|13.190971|7.636604|6.813238|8.080579|13.480977|36.858105| |2.200747|2.592027|2.643348|0.072319|3.146121|0.082217|2.995033|5.969936|2.439603|2.192837|3.070471|1.985260|1.945290|0.058529|1.867887|1.735305|1.638088|2.335782|0.044931|1.682489|1.825914|1.876608|4.059219|7.093709|6.941973|4.545773|5.141153|8.294950|8.420061|5.282082|4.648347|5.251968|7.713167|14.431744|53.358707| |2.180235|2.527800|2.533239|0.070083|2.923130|0.075887|2.750995|5.377558|2.274837|2.074024|2.931882|1.917534|1.874301|0.056439|1.781535|1.663834|1.588747|2.272613|0.043710|1.656106|1.807623|1.785724|3.754438|6.886337|6.031052|3.825426|4.119173|5.837956|5.914274|4.230951|3.948554|4.642151|6.820510|9.268855|25.999144|0.500000| |2.547149|3.124637|3.239274|0.086953|4.085591|0.104426|3.872866|7.947990|2.992150|2.625962|3.670773|2.305830|2.238997|0.067649|2.144554|1.954026|1.825561|2.627929|0.050415|1.872084|2.025918|2.186695|5.628123|9.234823|10.725639|6.528337|7.431719|12.729415|8.187436|5.070815|4.098277|4.150676|5.196805|8.353891|17.923740|0.244015|36.858105| |2.763164|3.445746|3.424417|0.089956|4.262365|0.104124|4.183122|8.865630|3.186764|2.758317|3.825308|2.373828|2.250480|0.067341|2.132768|1.919735|1.806722|2.636918|0.050910|1.885841|2.024956|2.282772|5.813458|9.838966|9.660027|5.701478|6.550550|8.920689|6.271795|4.318218|3.586081|3.632105|4.429954|6.381217|12.398606|0.208076|17.544900|0.500000| |2.822707|3.504250|3.831358|0.106547|4.973376|0.129248|4.201990|7.975402|3.199846|2.882602|4.193690|2.633341|2.605490|0.081039|2.459137|2.243691|2.092019|3.014916|0.056879|2.149556|2.378828|2.351859|7.885451|12.697506|17.878202|7.825837|6.452879|7.716165|5.545352|3.994384|3.338423|3.354882|4.011165|5.535540|10.269796|0.177704|12.346442|0.245160|36.858105| |17.521733|8.735016|6.710647|0.203411|4.466121|0.108042|3.775022|5.732104|3.712284|4.244319|7.513941|5.613078|4.307309|0.123271|3.274064|2.805033|2.984406|5.202796|0.100892|4.214984|4.369965|3.570439|4.069877|8.237251|4.290348|2.685164|2.356288|2.232993|1.941169|1.717597|1.560706|1.554477|1.695561|1.920764|2.954692|0.060193|2.484018|0.073667|2.812626|0.500000| |17.584668|8.858786|5.430769|0.141139|4.025443|0.094648|3.776105|5.946032|3.756875|4.062556|6.328490|4.329627|3.338644|0.092610|2.744292|2.348826|2.430325|4.053116|0.081527|3.130897|3.132953|3.500108|3.703656|7.345011|4.006108|2.546100|2.326914|2.214564|1.930264|1.710820|1.556396|1.550344|1.689259|1.909980|2.928952|0.059763|2.456831|0.074997|2.654399|0.303156|0.500000| |17.552248|8.703962|6.500557|0.163758|4.356970|0.106074|4.076232|6.053735|4.434100|5.409885|8.955346|6.567882|4.397209|0.115115|3.460068|2.838417|2.958168|5.216232|0.107542|3.909417|3.650821|4.737207|3.638181|6.767111|3.942922|2.584928|2.311230|2.135966|1.858301|1.667718|1.509532|1.484377|1.597529|1.804585|2.722798|0.054723|2.300476|0.068631|2.524318|0.299683|0.303850|0.500000| |8.903341|17.579530|8.805905|0.173863|6.701496|0.139981|7.147185|10.255313|6.901985|6.685729|9.426021|4.999727|3.752287|0.103770|3.226587|2.616640|2.543442|4.151185|0.082998|2.934951|2.917427|4.831810|5.301046|9.349113|5.417884|3.471690|3.137964|2.828332|2.365436|2.074115|1.834819|1.788730|1.941074|2.256870|3.453043|0.068147|3.065790|0.095449|3.293891|0.173077|0.213505|0.212850|0.500000| |8.918818|17.663596|8.936651|0.213501|6.913718|0.140969|5.758142|8.874634|4.801729|4.722751|7.605330|4.447332|3.621363|0.107046|3.022890|2.550957|2.522155|4.077216|0.078721|3.010810|3.190639|3.582333|6.831285|14.789817|6.356613|3.685836|3.238275|3.058158|2.539766|2.168940|1.926988|1.914649|2.124900|2.496099|3.966160|0.079769|3.540729|0.110942|3.993244|0.209642|0.218325|0.173216|0.304150|0.500000| |3.653987|4.587169|4.974141|0.108844|5.490418|0.142222|8.812050|12.946401|17.774811|9.045700|7.744628|4.145456|3.479055|0.091509|3.541730|2.773862|2.483852|3.788262|0.077763|2.454627|2.348033|7.151683|4.023000|6.096627|4.902361|3.783622|3.553302|2.885737|2.428006|2.232392|1.933284|1.802548|1.880864|2.173782|3.132748|0.059498|2.780470|0.082432|2.871253|0.087749|0.091868|0.105454|0.154194|0.110115|0.500000| |7.112734|6.138778|7.361201|0.221467|4.749926|0.127983|4.000478|5.732791|4.360287|5.883309|12.553349|17.628552|8.861501|0.212209|5.423156|4.211460|4.571608|9.522972|0.184634|6.733838|5.755131|5.092105|3.792147|6.792633|4.142310|2.754954|2.349414|2.138676|1.860713|1.679556|1.516068|1.481581|1.585832|1.791461|2.683553|0.053473|2.270416|0.065345|2.596658|0.211475|0.142684|0.230920|0.141852|0.134213|0.100257|0.500000| |4.976509|4.738705|5.650998|0.148077|4.243326|0.119753|3.953311|5.648745|4.819309|7.296533|12.425222|17.618774|8.861138|0.173722|6.714759|4.671291|4.752769|9.407620|0.218812|5.383672|4.263953|7.789579|3.271484|5.561752|3.745329|2.625508|2.275480|2.027121|1.774241|1.628958|1.467420|1.416243|1.495202|1.680434|2.469444|0.048699|2.085555|0.059803|2.327395|0.131807|0.110723|0.170931|0.124626|0.105281|0.113928|0.305116|0.500000| |3.127181|3.252110|4.083350|0.111380|3.707748|0.117231|3.469333|5.121565|4.076019|5.304238|7.667567|6.851770|8.840072|0.174023|17.543491|8.784354|6.565313|9.559413|0.208393|4.547575|3.768189|5.735038|2.940591|4.795295|3.598477|2.673144|2.282589|1.997133|1.766339|1.652957|1.486337|1.415199|1.472640|1.646019|2.370123|0.046184|1.988673|0.055401|2.230898|0.085849|0.074318|0.095362|0.087131|0.078584|0.101000|0.141265|0.205625|0.500000| |3.176336|3.534561|4.821715|0.132325|4.785069|0.169182|4.223793|6.098102|4.661655|5.672052|8.530709|6.328248|8.773513|0.215407|17.629692|8.689903|5.655844|7.806484|0.145365|4.090637|3.799621|5.071565|3.676280|5.736034|4.538974|3.438258|2.787571|2.381564|2.070234|1.919957|1.702189|1.610164|1.680649|1.905161|2.751182|0.052996|2.352222|0.064574|2.711119|0.087588|0.075057|0.092132|0.093291|0.087062|0.110652|0.133296|0.157344|0.302618|0.500000| |2.400705|2.477206|3.014526|0.086905|2.889965|0.092371|2.635006|4.088992|2.843328|3.298719|4.854192|4.100474|5.704053|0.141061|8.712468|17.626035|8.739246|7.990278|0.154503|4.136133|3.640162|3.344308|2.488122|4.116221|3.179800|2.384677|2.038380|1.820646|1.644039|1.556958|1.416384|1.351870|1.398045|1.542371|2.198949|0.042976|1.805453|0.049242|2.039706|0.068212|0.058745|0.070241|0.065414|0.062924|0.072390|0.097928|0.112704|0.220233|0.193911|0.500000| |2.596557|2.737118|3.464173|0.104165|3.376145|0.111740|2.903482|4.474198|2.987768|3.408019|5.304252|4.366416|6.626742|0.192317|8.795485|17.600752|8.816303|8.367618|0.141481|4.519041|4.398744|3.194825|2.950905|4.862709|3.767472|2.784450|2.294991|2.055271|1.839069|1.718992|1.555761|1.490908|1.555141|1.730580|2.490783|0.048621|2.059127|0.055518|2.399303|0.075201|0.062864|0.073822|0.070463|0.070518|0.073988|0.106042|0.110053|0.174495|0.219831|0.303228|0.500000| |2.549538|2.480466|2.905827|0.086622|2.607184|0.079221|2.342376|3.644384|2.512508|2.973155|4.591135|4.276475|5.837363|0.141046|6.090300|8.623353|17.645133|12.280446|0.243282|6.400427|4.843677|3.039529|2.294061|3.954504|2.855374|2.055231|1.780603|1.631570|1.480071|1.389571|1.277490|1.238149|1.292005|1.416872|2.043231|0.040531|1.659479|0.045758|1.873460|0.074710|0.062346|0.075570|0.064200|0.062859|0.063637|0.110172|0.119469|0.161899|0.128296|0.222149|0.178069|0.500000| |2.681517|2.646384|3.177219|0.099336|2.865616|0.088145|2.463403|3.829533|2.541652|2.952209|4.757934|4.321948|6.345322|0.179555|5.897763|8.682598|17.684837|12.252115|0.185390|7.410754|6.777806|2.836250|2.581092|4.489812|3.204586|2.265868|1.921795|1.774949|1.604139|1.491621|1.369694|1.334796|1.403188|1.545384|2.247131|0.044675|1.826507|0.049908|2.111463|0.080750|0.065069|0.076864|0.066787|0.068249|0.063236|0.114958|0.110436|0.136464|0.131803|0.183808|0.227294|0.302327|0.500000| |4.278012|3.641978|4.025423|0.126979|3.138948|0.088161|2.721456|4.154002|2.880918|3.525661|6.076244|6.485861|6.545862|0.164636|4.513516|4.216068|5.570158|12.365868|0.236837|17.637306|8.837805|3.405575|2.766223|5.059955|3.218133|2.175268|1.888355|1.761133|1.573940|1.440690|1.322630|1.302345|1.386666|1.535596|2.276482|0.045857|1.864098|0.052755|2.118422|0.137535|0.099808|0.130096|0.088696|0.089671|0.070578|0.227691|0.167422|0.118649|0.104551|0.099226|0.104628|0.140838|0.146469|0.500000| |3.104912|2.815065|3.160778|0.098795|2.657227|0.076946|2.325247|3.618742|2.436641|2.886373|4.717969|4.605598|5.497370|0.143388|4.326379|4.656576|7.239936|12.471476|0.225377|17.619377|8.823136|2.841158|2.399161|4.331611|2.892075|1.992478|1.733018|1.622607|1.468028|1.357506|1.253982|1.233762|1.305170|1.432353|2.101674|0.042302|1.699418|0.047411|1.930338|0.096636|0.075464|0.091503|0.070312|0.071621|0.060837|0.138388|0.122658|0.112456|0.098668|0.111026|0.115275|0.195564|0.206896|0.303289|0.500000| |3.137007|3.028949|3.582882|0.120948|3.113297|0.092251|2.557877|3.987067|2.534665|2.895775|4.896835|4.348767|5.650490|0.188827|4.376059|4.861246|6.403654|9.185387|0.141163|8.724753|17.591664|2.647047|2.933214|5.357885|3.539754|2.380004|2.003296|1.892090|1.701003|1.552456|1.428715|1.413066|1.509603|1.670251|2.479050|0.049936|2.010731|0.055115|2.377204|0.100322|0.075610|0.086225|0.073325|0.080033|0.062076|0.128699|0.103999|0.102553|0.107098|0.108763|0.139877|0.141684|0.235299|0.172267|0.206789|0.500000| |4.361075|4.098495|4.898981|0.181932|3.879202|0.110196|3.058954|4.665869|2.995522|3.478858|6.312877|5.680277|6.518297|0.229329|4.429816|4.242661|5.042520|8.925011|0.142192|8.749821|17.599144|3.044895|3.612034|6.834583|4.107919|2.656572|2.218986|2.093095|1.849290|1.660967|1.516936|1.504543|1.624426|1.820777|2.750490|0.055564|2.270464|0.063302|2.711953|0.149588|0.100458|0.116161|0.094065|0.107039|0.071516|0.188055|0.125596|0.104862|0.111144|0.095530|0.118018|0.114704|0.151851|0.212910|0.172476|0.300309|0.500000| |3.453702|3.113578|3.436421|0.115081|2.866475|0.081016|2.402036|3.773390|2.391422|2.732077|4.600797|4.117455|4.608151|0.141169|3.512059|3.612166|4.617678|7.507788|0.128081|8.995868|17.588700|2.524769|2.732636|5.173408|3.242968|2.145447|1.848532|1.768734|1.595722|1.451933|1.344211|1.340432|1.438985|1.584923|2.368018|0.048261|1.905925|0.053083|2.213843|0.115824|0.084248|0.094561|0.074599|0.082566|0.058939|0.133182|0.100776|0.087389|0.086898|0.085229|0.098943|0.113285|0.146351|0.212740|0.218144|0.303324|0.303358|0.500000| |3.504010|3.861592|4.193920|0.097799|3.966715|0.109539|4.772607|7.089235|7.504582|8.948956|7.673708|4.771897|3.877792|0.094286|4.077724|3.098750|2.803386|4.350716|0.094366|2.722798|2.456215|17.650988|3.030447|4.859178|3.680491|2.775715|2.558918|2.184366|1.906834|1.785117|1.586729|1.495545|1.551497|1.748663|2.507649|0.048495|2.141112|0.062270|2.254763|0.085475|0.087057|0.110122|0.121248|0.089954|0.232525|0.110539|0.150494|0.128937|0.118991|0.082580|0.078389|0.073653|0.068849|0.079364|0.068150|0.064282|0.072578|0.061423|0.500000| |3.557496|3.782618|4.453367|0.108755|4.008603|0.117280|4.262918|6.159736|5.962815|8.812891|9.144272|6.557496|5.443030|0.121403|6.114224|4.207501|3.719047|5.902185|0.132241|3.417573|2.951034|17.572333|3.035579|4.900427|3.656099|2.729376|2.419294|2.084398|1.826190|1.706711|1.524391|1.444207|1.501795|1.687775|2.429748|0.047182|2.062811|0.058956|2.239007|0.090560|0.085278|0.113490|0.109567|0.087670|0.154013|0.137093|0.228965|0.219393|0.168003|0.111043|0.100825|0.096978|0.087268|0.098163|0.084581|0.077219|0.085872|0.071878|0.303093|0.500000| |4.435289|4.473347|4.700166|0.111266|3.916282|0.105606|4.260806|6.212505|5.994014|8.860365|9.251245|6.492683|4.595197|0.106981|4.371421|3.289370|3.151086|5.244386|0.117925|3.313196|2.873061|17.557912|3.016820|5.028617|3.535823|2.549201|2.309690|2.030413|1.778272|1.646936|1.478468|1.414675|1.482318|1.664872|2.420922|0.047448|2.050623|0.059853|2.197159|0.106443|0.106704|0.153286|0.135716|0.099455|0.156025|0.150955|0.237075|0.139346|0.117749|0.085409|0.081292|0.082971|0.076563|0.100902|0.081526|0.072825|0.084885|0.071759|0.302077|0.301013|0.500000| |2.500281|3.063436|3.648713|0.098772|5.053671|0.156581|4.522065|8.374614|3.551785|3.150871|4.398675|2.742640|2.837349|0.087232|2.882454|2.623213|2.305863|3.207330|0.060565|2.173578|2.335218|2.589002|5.895680|8.060537|12.531337|17.547796|8.795567|6.738198|5.085828|4.263481|3.378127|3.069713|3.279017|4.154721|5.918318|0.102231|5.696109|0.131579|7.116390|0.068388|0.063768|0.065148|0.082532|0.088405|0.089606|0.071325|0.068084|0.071918|0.093309|0.067047|0.079634|0.057063|0.063679|0.058309|0.054545|0.066418|0.072043|0.058823|0.069754|0.070334|0.064630|0.500000| |2.917430|3.745876|4.645412|0.116710|7.373409|0.235054|7.262760|13.249656|5.184857|4.260230|5.674181|3.298538|3.287007|0.098523|3.368541|2.882832|2.495628|3.564638|0.068060|2.358879|2.464282|3.313700|7.080641|8.730255|12.362305|17.731909|8.880413|5.618170|4.154911|3.581128|2.877314|2.613539|2.769622|3.438067|4.976696|0.088413|4.914576|0.128496|5.661327|0.077427|0.073240|0.076756|0.103987|0.104366|0.127022|0.083306|0.081661|0.084906|0.112820|0.073344|0.084967|0.061616|0.067081|0.064140|0.058453|0.068607|0.076654|0.061328|0.089736|0.088149|0.080146|0.303474|0.500000| |2.214396|2.689433|2.974714|0.076885|3.915786|0.111162|4.223660|8.991232|3.409107|2.858073|3.720326|2.308173|2.288163|0.067107|2.353006|2.120430|1.887080|2.645415|0.051407|1.798458|1.873569|2.428729|4.222133|6.130652|7.618136|8.771557|17.598007|8.918645|6.813590|6.252889|4.348209|3.581300|3.614230|4.598959|5.874878|0.098242|5.484520|0.135436|4.925719|0.058868|0.058039|0.058449|0.076574|0.077157|0.092582|0.060117|0.059403|0.061430|0.074749|0.055747|0.062062|0.047924|0.051295|0.049199|0.045732|0.052361|0.056863|0.048003|0.068346|0.064694|0.060708|0.217545|0.208902|0.500000| |2.626934|3.328202|3.567870|0.088732|4.885408|0.126912|5.761592|14.605894|4.227685|3.350199|4.300028|2.569350|2.446971|0.071421|2.444022|2.143186|1.936365|2.791611|0.054477|1.911238|1.984706|2.747452|5.336876|7.527904|9.209353|8.864104|17.588698|9.038429|5.894924|4.803133|3.621853|3.213134|3.416535|4.454265|6.254688|0.106020|6.532004|0.185598|5.509673|0.068291|0.069198|0.068374|0.097369|0.096949|0.114008|0.067368|0.065756|0.064197|0.076999|0.055702|0.061681|0.049084|0.052305|0.053102|0.048098|0.054440|0.061122|0.050908|0.077429|0.070854|0.068917|0.174283|0.221217|0.300850|0.500000| |1.753927|2.039244|2.164175|0.057438|2.617093|0.073132|2.738241|5.585142|2.358924|2.069850|2.732089|1.767989|1.761801|0.051413|1.799341|1.675629|1.525046|2.114254|0.041323|1.466297|1.532124|1.836073|2.871897|4.551367|4.822723|4.299807|5.979433|6.556620|8.709976|17.746379|9.023594|5.588010|4.814463|5.493283|5.828429|0.098054|4.421433|0.108014|3.665042|0.047159|0.046979|0.046376|0.057735|0.059143|0.065205|0.046969|0.046172|0.047499|0.055340|0.044644|0.048950|0.039319|0.041915|0.040142|0.037889|0.042991|0.045806|0.039987|0.051826|0.049307|0.047104|0.121228|0.104970|0.205808|0.140444|0.500000| 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