Version2.1 2020-08-16T10:39:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 08-Jul-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)N1CCC[C@H]1C(=O)NC[C@H](c2ccc(cc2)OC)[NH+](C)C C62352759 RHF 6-31G(d) (6D,7F) CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](c2ccc(cc2)OC)[NH+](C)C C01[X(C21H34N3O4)] 180 C1 488 COc1ccc(cc1)[C@H]([NH+](C)C)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C COc1ccc(cc1)[C@H]([NH+](C)C)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C COc1ccc(cc1)[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)[NH+](C)C InChIKey=MUQNYHDGWVHSOL-ZWKOTPCHSA-O InChI=1S/C21H33N3O4/c1-21(2,3)28-20(26)24-13-7-8-17(24)19(25)22-14-18(23(4)5)15-9-11-16(27-6)12-10-15/h9-12,17-18H,7-8,13-14H2,1-6H3,(H,22,25)/p+1/t17-,18+/m0/s1 InChI=1/C21H33N3O4/c1-21(2,3)28-20(26)24-13-7-8-17(24)19(25)22-14-18(23(4)5)15-9-11-16(27-6)12-10-15/h9-12,17-18H,7-8,13-14H2,1-6H3,(H,22,25)/p+1/t17-,18+/m0/s1/fC21H34N3O4/h22-23H/q+1 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](c2ccc(cc2)OC)[NH+](C)C C01[X(C21H34N3O4)] 180 C01 488 COc1ccc(cc1)[C@H]([NH+](C)C)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C CO[C]1[CH][CH][C]([CH][CH]1)[C@H]([NH](C)C)CNC(=O)[C@@H]1CCCN1[C]([O])OC(C)(C)C CO[C]1[CH][CH][C]([CH][CH]1)[C@@H](CNC(=O)[C@@H]2CCCN2[C]([O])OC(C)(C)C)[NH](C)C InChIKey=GNYCDVOEAALHDB-ZWKOTPCHSA-N InChI=1S/C21H34N3O4/c1-21(2,3)28-20(26)24-13-7-8-17(24)19(25)22-14-18(23(4)5)15-9-11-16(27-6)12-10-15/h9-12,17-18,23H,7-8,13-14H2,1-6H3,(H,22,25)/t17-,18+/m0/s1 InChI=1/C21H34N3O4/c1-21(2,3)28-20(26)24-13-7-8-17(24)19(25)22-14-18(23(4)5)15-9-11-16(27-6)12-10-15/h9-12,17-18,23H,7-8,13-14H2,1-6H3,(H,22,25)/t17-,18+/m0/s1/f/h22H 2786.5635701407 -1277.6780359 1-A 15043.6424 106 382 488 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.68640 -20.67580 -20.63041 -20.61224 -15.83929 -15.68090 -15.67310 -11.48318 -11.44481 -11.42878 -11.42269 -11.42189 -11.41029 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01855 0.03053 0.05119 0.09449 0.10407 0.12413 0.13048 0.13588 0.14022 0.14519 0.15330 0.15593 0.16227 0.16517 0.17008 0.18577 0.19374 0.19481 0.19588 0.19657 0.20392 0.21522 0.21847 0.22473 0.22792 0.23230 0.23416 0.23842 0.23869 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1.11437 1.12316 1.12455 1.12566 1.12989 1.13629 1.14234 1.14938 1.15533 1.16009 1.16703 1.17005 1.17421 1.17740 1.18890 1.20631 1.21556 1.22917 1.23468 1.23862 1.24714 1.25816 1.26713 1.28207 1.29098 1.30979 1.31632 1.32027 1.33440 1.35069 1.35610 1.35667 1.38247 1.39742 1.40874 1.43309 1.44457 1.46157 1.46668 1.48598 1.49377 1.50382 1.52387 1.52933 1.53922 1.54335 1.56854 1.57189 1.59258 1.60090 1.60735 1.61386 1.61486 1.62744 1.64497 1.66523 1.67720 1.68352 1.70358 1.70946 1.72122 1.72738 1.74861 1.75472 1.76616 1.78490 1.81116 1.85074 1.85600 1.87344 1.87658 1.90383 1.91790 1.93853 1.94678 1.94753 1.96682 1.98047 1.98810 1.99248 1.99686 2.00305 2.02097 2.03000 2.03387 2.04583 2.04951 2.05672 2.05886 2.06757 2.08218 2.08522 2.09294 2.09706 2.10542 2.10913 2.11305 2.13372 2.14314 2.14979 2.15136 2.17728 2.19071 2.19450 2.20101 2.20621 2.21565 2.22589 2.23260 2.24241 2.26004 2.26631 2.27146 2.27570 2.28724 2.29932 2.30517 2.30969 2.31881 2.33103 2.33702 2.34151 2.35540 2.35851 2.36630 2.37679 2.38633 2.38746 2.39643 2.41309 2.42259 2.42365 2.43003 2.44365 2.46094 2.46475 2.48156 2.48549 2.49443 2.50496 2.51013 2.51924 2.53783 2.53903 2.54758 2.55267 2.55690 2.57588 2.58640 2.59307 2.59618 2.60859 2.61750 2.62431 2.64930 2.69476 2.70537 2.72302 2.74360 2.75727 2.76611 2.76970 2.78232 2.81342 2.82050 2.82915 2.84238 2.84470 2.86618 2.87385 2.87927 2.89065 2.91046 2.92050 2.93347 2.93575 2.95649 2.97037 2.97715 2.99734 3.01480 3.03160 3.05037 3.05763 3.07871 3.08768 3.12362 3.16051 3.18009 3.22492 3.23912 3.24524 3.25874 3.31307 3.35344 3.45624 3.50224 3.54761 3.61392 3.73055 4.25641 4.35077 4.37884 4.40081 4.44232 4.47083 4.50213 4.51487 4.52659 4.57207 4.57618 4.59075 4.60126 4.64118 4.66492 4.66921 4.68341 4.69787 4.71640 4.78273 4.82542 4.84323 4.90083 4.90463 4.94186 5.01642 5.09634 5.10308 11.91250 9.8576 -4.5483 -5.7114 12.2670 |XX|YY|ZZ|XY|XZ|YZ| -81.2360 -128.8798 -142.7541 -16.1008 -22.5344 7.6213 |XX|YY|ZZ|XY|XZ|YZ| 36.3873 -11.2565 -25.1308 -16.1008 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14.9653 78.1399 409.6995 15.9399 7.7840 13.3356 20.2777 10.6168 5.2326 14.2791 24.0035 44.5871 15.5039 28.0020 41.0490 43.8641 442.7148 331.3229 77.3885 48.7890 0.2721 13.3862 15.3400 22.1107 0.1335 0.9506 12.9107 5.1170 14.0046 4.5208 25.2889 1.1431 6.8564 16.1774 16.2011 51.8403 16.5382 26.3621 171.2536 327.0882 18.8240 160.7746 368.5275 264.8775 12.0564 25.2922 39.9926 17.1053 22.2014 39.3927 8.3486 25.4454 3.3850 5.5708 4.0248 22.4245 17.8052 28.9391 42.2835 35.3924 54.2417 16.0625 10.2840 4.2511 25.6245 25.4156 5.5778 22.7840 10.8674 2.2094 9.9707 4.2595 4.7636 0.6668 1.1636 4.8140 36.1840 291.7014 1.3028 0.9884 0.7264 0.1978 2.4818 0.6787 0.9277 0.6051 1.7669 0.3775 1.3263 0.8363 0.5384 0.5421 0.3484 0.4296 0.3051 0.9433 0.0408 0.2197 0.5650 0.6736 0.3330 0.2209 0.3530 0.1524 0.4501 0.0123 1.8338 3.3502 1.4164 0.2252 0.7305 4.2375 0.7228 0.1556 0.8726 0.1504 2.2026 0.3099 2.0586 5.2631 1.1773 0.9244 2.1963 2.0742 0.3896 0.9381 0.5790 6.2055 4.3426 5.1458 1.7275 0.7717 4.3861 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12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8288.6849 20214.8919 24065.3401 0.99990 -0.01394 -0.00339 0.01392 0.99988 -0.00680 0.00349 0.00676 0.99997 1 0.01045 0.00428 0.00360 0.21774 0.08928 0.07499 13.03 15.72 42.26 58.02 65.25 77.14 81.78 91.73 107.78 135.85 147.60 164.08 182.40 209.70 228.36 239.01 286.24 292.72 334.56 356.58 367.38 375.44 387.43 395.65 405.02 407.15 430.63 438.93 458.37 500.56 520.38 539.28 550.97 587.45 611.40 623.87 656.99 670.65 692.76 708.64 712.99 766.29 794.27 807.89 836.09 863.49 892.37 896.25 992.22 1002.20 1046.54 1122.88 1143.89 1157.20 1209.36 1256.66 1271.66 1288.85 1325.44 1336.10 1344.62 1358.92 1382.50 1390.13 1410.59 1431.31 1440.02 1450.44 1457.32 1461.66 1525.62 1530.60 1540.35 1546.56 1584.74 1585.74 1598.23 1616.69 1653.00 1663.29 1670.18 1678.26 1686.98 1725.81 1758.62 1782.89 1794.87 1803.93 1846.71 1859.21 1872.53 1876.50 1895.91 1901.38 1906.33 1919.52 1936.81 1949.98 1960.20 1975.04 2005.34 2009.46 2028.41 2036.22 2088.55 2090.49 2101.68 2129.51 2152.21 2159.29 2176.54 2189.14 2228.94 2238.92 2243.70 2246.69 2250.76 2272.65 2279.16 2283.01 2288.48 2298.28 2329.46 2336.82 2341.41 2346.81 2351.83 2354.31 2357.10 2359.11 2364.14 2365.29 2372.45 2375.58 2376.02 2380.88 2381.01 2402.89 2403.67 2414.66 2449.52 2484.57 2544.17 2607.43 2706.89 2772.50 4629.34 4631.31 4634.13 4643.65 4644.40 4652.43 4682.93 4695.94 4700.08 4707.96 4715.94 4716.15 4719.76 4728.58 4734.18 4738.78 4742.94 4771.82 4787.77 4788.88 4795.24 4795.87 4804.54 4825.65 4831.23 4832.35 4841.41 4846.15 4870.29 4886.94 4901.73 4915.22 5340.87 5458.83 0.585772 0.613745 0.614689 0.523583 -1277.092264 -1277.064291 -1277.063347 -1277.154453 3.055710D-04 MUNgauss RevisionA2.0 retrievium 16-Aug-2020 DUDE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](c2ccc(cc2)OC)[NH+](C)C C62352759 RHF 6-31G(d) (6D,10F) C1 392.254932 |X|Y|Z| 59.729496 100.278466 37.684493 60.886322 15 6 7 13 2 |36.858105| |12.486337|36.858105| |7.508100|12.487780|36.858105| |7.595998|12.494107|7.591368|36.858105| |7.785943|13.051279|7.785733|8.189658|73.516695| |6.294837|7.791412|6.301253|5.288308|25.849095|36.858105| |6.284232|6.737989|6.273377|4.481547|15.144066|15.748665|73.516695| |4.493995|5.274770|4.496367|4.247370|15.288532|14.071406|15.067498|53.358707| |3.796599|4.593678|3.905151|4.183029|12.504942|7.615106|9.404727|17.670136|36.858105| |3.010362|3.549563|3.287380|3.265120|8.541035|5.427248|7.714278|11.093523|12.493302|36.858105| |2.885245|3.226866|3.026851|2.857029|7.524868|5.252537|8.097490|10.918101|7.970376|12.450441|36.858105| |3.546515|3.907601|3.621727|3.234665|9.463119|7.793560|12.280054|17.684161|7.861078|7.850934|12.381890|36.858105| |3.492317|3.871790|3.815848|3.134659|8.906438|7.354810|13.365244|12.424911|6.019262|6.332081|8.716609|17.586307|0.500000| |3.354753|3.412917|3.107024|2.852812|7.703254|5.915470|10.465944|10.435847|5.433758|5.142698|7.461616|12.410480|0.248436|36.858105| |2.864895|2.890127|2.626653|2.515924|6.336129|4.458051|7.682624|7.731381|4.726346|4.672372|6.752035|7.874115|0.168454|15.787949|73.516695| |3.679413|3.542809|3.253758|2.866283|7.581341|5.842478|11.975857|8.418936|4.350643|3.966196|5.049563|7.793711|0.203118|14.086218|15.196825|53.358707| |3.258864|3.002829|2.746048|2.512021|6.090949|4.258756|8.466325|5.969199|3.433082|3.151224|3.842653|5.036716|0.131641|7.920297|12.597758|18.041309|36.858105| |2.618781|2.474510|2.342858|2.119574|4.928489|3.352180|6.598554|4.787282|2.895299|2.811820|3.489441|4.231174|0.115533|6.125408|10.965865|10.691742|12.347629|36.858105| |2.480649|2.407589|2.285945|2.082061|4.888025|3.340941|6.391866|4.985063|3.057440|3.064681|3.968085|4.653645|0.125156|6.940553|13.643298|10.203011|8.950778|17.668072|0.500000| |2.517855|2.381155|2.330654|2.024396|4.614899|3.117240|6.375095|4.278294|2.589317|2.546168|3.085760|3.729596|0.108901|4.776549|7.945576|8.407191|7.469178|12.606723|0.247320|36.858105| |2.299542|2.238094|2.242441|1.916473|4.347047|2.928346|5.931573|4.074090|2.503686|2.549376|3.121384|3.652101|0.110816|4.370756|7.285665|6.961869|5.257306|7.562337|0.204089|13.650726|36.858105| |2.151300|2.097251|2.150103|1.803345|3.978722|2.625329|5.349165|3.563639|2.223582|2.267496|2.682343|3.081904|0.095214|3.451460|5.702686|5.402614|3.986885|5.023756|0.133419|7.891664|13.856059|36.858105| |2.169112|2.072518|2.133673|1.779505|3.839085|2.492623|5.136920|3.290471|2.056963|2.052947|2.361803|2.734400|0.083539|3.039692|4.992883|4.886384|3.720475|4.416772|0.110560|6.798241|7.928065|13.648279|36.858105| |2.349208|2.184144|2.209513|1.864314|4.018034|2.604838|5.416553|3.392687|2.101889|2.049572|2.344090|2.764205|0.082670|3.163435|5.183855|5.311189|4.299914|4.992374|0.116007|7.865253|6.879857|7.925037|13.704437|36.858105| |2.549743|2.348633|2.313923|1.993036|4.408266|2.908298|6.042705|3.836190|2.339906|2.256994|2.629252|3.165782|0.092658|3.843534|6.313217|6.807933|6.080303|7.513527|0.155026|13.735893|7.992159|6.908528|7.939168|13.742702|36.858105| |1.979053|1.904785|1.990901|1.652992|3.478705|2.216234|4.515089|2.909843|1.851066|1.857200|2.095318|2.375972|0.072670|2.554529|4.220527|3.978515|2.967389|3.376414|0.087143|4.610353|5.318443|8.235764|14.293900|7.894126|5.218029|73.516695| |1.923483|1.828423|1.915008|1.595706|3.277676|2.052180|4.167773|2.657777|1.703732|1.688537|1.869801|2.115201|0.063929|2.258933|3.739830|3.520596|2.655993|2.912611|0.074289|3.771466|3.984887|5.252154|8.002355|6.698631|4.505793|24.063752|36.858105| |2.287709|2.141207|2.014562|1.882483|4.186051|2.729546|5.214682|3.887196|2.465034|2.390595|2.864065|3.268843|0.087656|4.391790|8.480591|6.872347|7.455331|12.370201|0.255114|7.614621|5.394509|4.057405|3.758383|4.312181|6.059590|5.320814|2.663926|53.358707| |2.302614|2.117719|1.995392|1.859811|4.064408|2.619525|5.062959|3.634187|2.303276|2.205345|2.580272|2.968758|0.080520|3.848996|7.114831|6.233622|6.764912|9.170000|0.182560|7.206247|4.942972|3.940137|3.867986|4.703503|6.790468|5.476053|2.804728|25.737665|0.500000| |1.965549|1.871394|1.791279|1.666166|3.632965|2.339097|4.435480|3.349376|2.176075|2.169839|2.591434|2.839171|0.077502|3.596454|7.000186|5.303865|4.916529|7.604412|0.201463|6.428849|5.411016|4.186010|3.760820|4.054829|5.146735|5.416857|2.669930|17.337969|0.260782|36.858105| |2.256933|2.115488|1.949016|1.891847|4.176844|2.678011|4.936950|3.895892|2.537202|2.433220|2.883355|3.199359|0.082496|4.305951|8.937277|6.242606|6.451174|7.484618|0.192189|4.939861|3.928407|3.123479|2.916157|3.261137|4.222498|4.318903|2.210551|17.303307|0.258597|7.790660|36.858105| |17.637474|8.778011|6.892552|5.507495|12.149412|6.598200|13.655601|6.257958|3.671116|2.987260|2.970582|3.781971|0.105884|3.668330|5.446329|5.773794|3.729401|2.944117|0.076165|2.871633|2.588687|2.419868|2.461702|2.701502|2.947087|3.950620|2.156892|3.432535|0.070976|2.143606|2.437434|0.500000| |17.556098|8.830535|5.484505|6.930863|12.800994|5.876293|9.801235|6.131337|3.902007|3.020963|2.897748|3.520519|0.092896|3.429360|5.304161|5.054013|3.371915|2.662385|0.070022|2.492388|2.247653|2.075035|2.081914|2.271087|2.506662|3.355310|1.830645|3.212300|0.065933|2.006960|2.379676|0.300016|0.500000| |17.564149|8.887027|6.765088|6.990042|10.036225|4.698616|8.504502|4.898280|3.168176|2.601839|2.488593|2.963633|0.082024|2.826861|4.389435|4.203545|2.817524|2.330351|0.061211|2.273978|2.090612|1.986650|2.027422|2.193443|2.338107|3.334626|1.848758|2.821909|0.058450|1.803502|2.040944|0.301233|0.301516|0.500000| |6.779980|8.887388|17.563093|6.970553|10.033511|4.703793|8.507532|4.900481|3.232126|2.782629|2.582240|3.010163|0.087563|2.668480|4.098999|3.831363|2.454575|2.122846|0.057195|2.129153|2.047203|1.987515|1.999167|2.075777|2.146820|3.356922|1.842906|2.526563|0.051498|1.661300|1.796458|0.168894|0.139128|0.199331|0.500000| |5.484009|8.831015|17.560503|6.940046|12.771283|5.866379|9.747746|6.121231|4.100692|3.541100|3.147738|3.638939|0.107104|3.010080|4.561546|4.146450|2.552988|2.218702|0.061087|2.202573|2.156318|2.070363|2.027111|2.065460|2.154592|3.382546|1.816580|2.601578|0.052135|1.719237|1.855723|0.141013|0.123305|0.139075|0.301603|0.500000| |6.872800|8.774441|17.638432|5.504630|12.175964|6.624554|13.652827|6.276825|3.777793|3.266500|3.133235|3.882735|0.118287|3.354240|4.940483|4.932917|3.008564|2.566645|0.069057|2.602346|2.509127|2.419337|2.410340|2.493572|2.596951|3.981008|2.144499|2.950873|0.059763|1.922534|2.060700|0.206736|0.140916|0.167775|0.301090|0.300354|0.500000| |6.966298|8.817679|5.512257|17.576487|13.235636|4.991571|7.374953|5.747647|4.293196|3.259725|2.852869|3.194420|0.083576|2.881218|4.588875|3.901303|2.550591|2.133562|0.058237|2.003481|1.879193|1.751965|1.725297|1.819151|1.965636|2.834277|1.538027|2.606682|0.052504|1.685452|1.955124|0.141458|0.209284|0.173940|0.141559|0.141865|0.123064|0.500000| |5.514126|8.818877|6.966658|17.576823|13.224140|4.990617|7.368267|5.745389|4.397641|3.494714|2.943834|3.230202|0.087260|2.765131|4.360253|3.689640|2.353974|2.020259|0.055818|1.933422|1.856745|1.751198|1.712528|1.771536|1.883962|2.841557|1.534901|2.440149|0.048847|1.603769|1.801448|0.123102|0.141742|0.141821|0.173483|0.209754|0.141569|0.300916|0.500000| |6.881830|8.849566|6.874941|17.575606|10.278834|4.227635|6.801974|4.716823|3.381727|2.764099|2.471244|2.773517|0.075797|2.502589|3.966358|3.475708|2.285937|1.953774|0.052971|1.888211|1.789190|1.702501|1.697823|1.781394|1.883669|2.828580|1.551769|2.386534|0.048499|1.561194|1.754293|0.141001|0.169383|0.208312|0.207527|0.169668|0.140762|0.300799|0.300982|0.500000| |4.046400|5.262803|4.386434|5.065910|14.550467|7.251920|8.894554|12.340413|17.697606|8.686019|5.698347|5.780034|0.137608|4.285664|6.690854|5.026130|3.002108|2.552591|0.073608|2.334418|2.261824|2.048627|1.921416|1.963906|2.154401|3.110764|1.627238|3.001547|0.058036|1.960798|2.257010|0.104459|0.114010|0.094442|0.100041|0.132256|0.112211|0.142865|0.156345|0.109541|0.500000| |3.582521|4.095250|3.392034|3.871868|10.409518|6.077949|8.025494|12.340331|17.560157|8.779811|6.776982|6.472592|0.136456|5.257172|8.723255|5.694091|3.452323|2.889080|0.084730|2.520582|2.399780|2.115269|1.964604|2.027278|2.279298|3.134613|1.629706|3.423903|0.065110|2.205112|2.665013|0.095461|0.106725|0.083777|0.080369|0.096310|0.090883|0.115997|0.110078|0.088251|0.301767|0.500000| |2.965539|3.596404|3.492520|3.302422|8.409532|5.234954|7.639686|9.431189|8.867106|17.553156|8.786501|6.667828|0.172371|4.408036|6.960928|4.910668|2.875325|2.603617|0.078017|2.430432|2.473484|2.244540|2.037145|2.011565|2.177326|3.312575|1.695453|3.009440|0.057174|2.028976|2.209280|0.081757|0.080520|0.071968|0.081615|0.108426|0.096363|0.088726|0.100672|0.078150|0.219181|0.174104|0.500000| |2.654251|3.075145|2.843053|2.944138|7.056335|4.244034|6.237256|7.878442|8.721241|17.592615|8.707549|5.648084|0.131503|4.258929|7.353899|4.572510|2.794010|2.540224|0.077110|2.292713|2.298155|2.055445|1.866616|1.862063|2.042028|3.023130|1.553291|3.019455|0.056833|2.038677|2.292864|0.072400|0.074911|0.064879|0.068517|0.084925|0.077526|0.082984|0.088040|0.070231|0.194991|0.216975|0.301537|0.500000| |2.580282|2.869833|2.791716|2.552161|6.390799|4.368423|7.144388|7.981452|5.698189|8.679788|17.595503|8.739760|0.223186|6.110042|10.121239|6.101872|3.506038|3.356388|0.107633|3.063408|3.226206|2.798603|2.416939|2.344275|2.587763|3.837482|1.905082|3.754582|0.068892|2.568907|2.717074|0.074375|0.070965|0.062892|0.066954|0.081331|0.081210|0.069854|0.073431|0.062419|0.126336|0.137130|0.217358|0.195039|0.500000| |2.684828|2.915621|2.683389|2.632548|6.642437|4.472483|7.002028|8.816876|6.759080|8.815977|17.627459|8.842351|0.176615|7.456780|14.449961|6.648333|3.928645|3.602171|0.116255|3.063749|3.049365|2.582375|2.275524|2.278985|2.589449|3.573581|1.798339|4.122602|0.074683|2.737129|3.151593|0.076493|0.076534|0.064767|0.064739|0.076334|0.076578|0.074558|0.074491|0.063782|0.137086|0.187348|0.174025|0.218884|0.302683|0.500000| |4.311211|4.122945|3.830150|3.182680|8.744746|7.138862|17.217560|8.994463|4.412357|3.916613|4.709273|7.491779|0.216185|9.405746|10.914114|25.921178|8.962351|6.016202|0.155065|5.496158|4.709593|3.887209|3.626958|3.950833|4.848528|5.320276|2.677839|5.704556|0.110605|3.359389|3.789150|0.144557|0.116691|0.098456|0.090390|0.097420|0.122679|0.086663|0.082720|0.078561|0.107301|0.113617|0.102152|0.090751|0.117107|0.120399|0.500000| |3.174820|2.921732|2.603309|2.503186|5.984871|4.053547|7.570221|5.869848|3.508891|3.164746|3.803539|4.756784|0.117659|7.431353|13.572566|12.624619|17.666352|8.740282|0.207602|5.486864|4.195901|3.305124|3.103116|3.525197|4.694073|4.544879|2.325940|9.670941|0.175865|4.673414|7.665636|0.097826|0.094272|0.076292|0.064939|0.067567|0.077296|0.072054|0.065071|0.063023|0.084609|0.101983|0.078492|0.079301|0.094158|0.112478|0.188086|0.500000| |3.494769|3.087348|2.828206|2.554875|6.023780|4.110545|8.486779|5.394122|3.124658|2.822198|3.293077|4.265911|0.115363|5.832579|9.114193|12.602379|17.618634|8.754246|0.174805|7.022358|4.828678|3.893064|3.859843|4.738867|6.858628|5.474275|2.823505|8.737932|0.185718|4.393745|5.448743|0.114419|0.099947|0.084524|0.071041|0.071577|0.086837|0.071755|0.065502|0.065378|0.078153|0.086683|0.072898|0.069781|0.084183|0.091617|0.230499|0.302069|0.500000| |2.215615|2.196860|2.193467|1.897475|4.341877|2.934565|5.789470|4.221770|2.625283|2.746138|3.465383|3.930775|0.118714|4.692069|8.062488|6.882475|4.946312|7.016749|0.226446|8.881337|17.703668|9.001896|5.650841|4.954616|5.662663|7.647299|3.334063|6.931568|0.122975|5.306944|3.913290|0.068288|0.060451|0.055729|0.055289|0.059385|0.067503|0.051817|0.051547|0.048893|0.065080|0.069838|0.073640|0.068943|0.102047|0.094680|0.125224|0.114025|0.119648|0.500000| |1.994206|1.974614|2.046047|1.713964|3.744566|2.447607|4.910904|3.348848|2.124682|2.205981|2.594947|2.898700|0.090242|3.132578|5.221613|4.692611|3.363010|4.091154|0.113969|5.616453|8.909497|17.747752|8.950055|5.656001|4.973005|13.527147|4.871488|4.655611|0.091257|3.619325|2.748420|0.061567|0.053267|0.051419|0.052666|0.055406|0.063613|0.046094|0.046649|0.045020|0.054611|0.055859|0.061310|0.055859|0.076754|0.068991|0.094291|0.079806|0.090203|0.215868|0.500000| |2.302491|2.112765|2.142421|1.813510|3.813178|2.425463|5.018997|3.116546|1.950722|1.885243|2.115039|2.474157|0.073388|2.782436|4.577012|4.610295|3.731022|4.086910|0.096204|5.633079|4.960167|5.627453|8.859840|17.772589|8.958843|12.491091|7.404970|5.064910|0.115572|3.487471|2.935116|0.073480|0.061702|0.060589|0.056672|0.055264|0.066893|0.049122|0.047632|0.048612|0.051187|0.052426|0.051552|0.047821|0.058407|0.057156|0.096832|0.087703|0.117411|0.107629|0.124074|0.500000| |2.668645|2.395543|2.319011|2.037214|4.452195|2.897732|5.978456|3.779067|2.313726|2.187567|2.508705|3.023424|0.086418|3.695375|6.117187|6.605260|6.350091|6.895779|0.139332|8.866352|5.647367|4.967411|5.668502|9.016773|17.670011|7.495099|3.921376|8.406728|0.213502|4.855399|4.460264|0.086009|0.073793|0.068155|0.060139|0.059331|0.071682|0.056257|0.052927|0.053666|0.059465|0.063334|0.058228|0.055205|0.067407|0.069217|0.131298|0.140144|0.224171|0.123802|0.107818|0.219807|0.500000| |1.843255|1.737283|1.795390|1.526654|3.116277|1.941127|3.906007|2.527258|1.629080|1.607902|1.780084|2.003769|0.059685|2.169708|3.638271|3.380201|2.618472|2.899509|0.073192|3.712719|3.782246|4.744046|7.010384|6.691492|4.556653|16.420389|17.576811|3.729645|0.081547|2.773105|2.264209|0.057176|0.049207|0.049309|0.048113|0.047211|0.055318|0.041163|0.040671|0.041286|0.043159|0.043661|0.044521|0.041309|0.050100|0.048034|0.070498|0.064273|0.077769|0.088001|0.119583|0.222476|0.113038|0.500000| |2.093986|1.972645|2.081251|1.706400|3.494765|2.184633|4.496629|2.781518|1.769250|1.735091|1.907228|2.185943|0.066323|2.319500|3.787714|3.665036|2.741557|2.909681|0.073476|3.724981|3.798598|4.769259|7.038086|6.697009|4.569997|16.424404|17.580055|3.570793|0.077185|2.552358|2.196497|0.065896|0.054860|0.056136|0.055873|0.054308|0.065356|0.045460|0.045340|0.046265|0.047178|0.046844|0.048514|0.044108|0.053564|0.050650|0.079009|0.066373|0.082524|0.088396|0.120290|0.221627|0.113426|0.298267|0.500000| |1.778315|1.707260|1.801539|1.503216|3.050626|1.892957|3.803203|2.459247|1.594155|1.590454|1.747268|1.949534|0.058939|2.049982|3.410000|3.132742|2.332569|2.538653|0.066004|3.175536|3.420725|4.427319|5.895735|4.895934|3.617142|16.986569|17.673249|3.186463|0.067707|2.372164|1.981077|0.054824|0.046934|0.047759|0.048420|0.047836|0.055707|0.040152|0.040387|0.040751|0.042502|0.042291|0.044619|0.040830|0.049739|0.046601|0.066157|0.057529|0.068051|0.082438|0.121814|0.145123|0.089227|0.300017|0.299951|0.500000| |1.915208|1.851429|1.772335|1.656680|3.637714|2.348258|4.389889|3.436466|2.257426|2.292428|2.784205|2.971796|0.080443|3.764162|7.624522|5.263184|4.616552|6.896651|0.217153|5.611344|5.198341|3.976120|3.427457|3.534888|4.323940|5.032217|2.457615|12.347259|0.181895|17.641179|7.167138|0.057543|0.054340|0.048645|0.045447|0.047680|0.052614|0.046587|0.044629|0.042908|0.056012|0.063666|0.059194|0.060191|0.077451|0.082960|0.091383|0.124543|0.110141|0.155305|0.098895|0.084615|0.111520|0.069745|0.065271|0.061568|0.500000| |1.827867|1.732223|1.653563|1.559051|3.331329|2.109278|3.964600|3.002623|1.981876|1.965970|2.299664|2.485171|0.067475|3.068104|5.971095|4.475159|4.093441|5.550533|0.145860|4.881062|4.209296|3.494330|3.268438|3.552353|4.314550|4.868814|2.465879|12.316166|0.226474|17.649692|7.189341|0.054942|0.052107|0.046979|0.042927|0.044070|0.048932|0.043988|0.041641|0.040800|0.050043|0.056199|0.051133|0.051822|0.063071|0.067675|0.080441|0.112420|0.105502|0.113998|0.085859|0.088236|0.118401|0.072230|0.065426|0.061392|0.299275|0.500000| |1.939212|1.848443|1.794406|1.636857|3.556375|2.294179|4.418096|3.239409|2.090170|2.094611|2.490903|2.751256|0.076990|3.395969|6.344322|5.118787|4.576460|7.095367|0.182033|7.486776|6.585282|5.140698|4.575131|4.849530|6.014615|6.411586|3.084284|12.262768|0.222378|17.707517|5.632862|0.059158|0.054351|0.049655|0.046346|0.047818|0.053939|0.045609|0.043809|0.042784|0.052691|0.058037|0.055127|0.054357|0.069494|0.071598|0.092435|0.114858|0.117704|0.168655|0.120132|0.112224|0.147018|0.089592|0.080318|0.075216|0.299142|0.299359|0.500000| |2.448061|2.250990|2.041011|2.011185|4.423760|2.812824|5.171011|4.030640|2.612726|2.436872|2.827610|3.196741|0.081680|4.277280|8.555396|6.382428|6.837479|6.525486|0.158576|4.511521|3.539677|2.888282|2.768079|3.160833|4.088233|4.131834|2.150646|12.219855|0.231129|5.678290|17.693749|0.073444|0.072813|0.061309|0.052341|0.053473|0.059688|0.058227|0.052641|0.051799|0.064935|0.076984|0.061318|0.063586|0.072680|0.085216|0.109338|0.251768|0.169576|0.095939|0.070553|0.080674|0.126019|0.061166|0.060198|0.053483|0.143193|0.150837|0.126522|0.500000| |2.015579|1.894812|1.756892|1.717310|3.696410|2.327591|4.267015|3.367670|2.242315|2.170515|2.526935|2.729991|0.071084|3.491148|7.153061|4.962768|4.752493|5.528065|0.146635|4.138544|3.444068|2.834810|2.673395|2.958035|3.676841|4.034596|2.084478|12.300949|0.213358|7.601677|17.657501|0.059916|0.058928|0.051265|0.045376|0.046655|0.051313|0.049317|0.045583|0.044562|0.056052|0.065470|0.055144|0.057563|0.066947|0.076607|0.086800|0.149421|0.118349|0.095510|0.070334|0.075154|0.107534|0.059922|0.057048|0.052275|0.193341|0.233530|0.149906|0.301170|0.500000| 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