Version2.0 2020-07-19T06:49:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+]1CCN(CC1)[C@@H](CNC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)c4ccc5c(c4)CCN5C C38672566 RHF 6-31G(d) (6D,7F) C[NH+]1CCN(CC1)[C@@H](CNC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)c4ccc5c(c4)CCN5C C01[X(C27H38N5O3S1)] 216 C1 620 C[NH+]1CCN(CC1)[C@H](c1ccc2c(c1)CCN2C)CNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1 C[NH+]1CCN(CC1)[C@H](c1ccc2c(c1)CCN2C)CNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1 CN1CCc2cc(ccc12)[C@H](CNC(=O)c3ccc(cc3)[S](=O)(=O)N4CCCC4)N5CC[NH+](C)CC5 InChIKey=GCMVACLTCIPNJS-SANMLTNESA-O InChI=1S/C27H37N5O3S/c1-29-15-17-31(18-16-29)26(22-7-10-25-23(19-22)11-14-30(25)2)20-28-27(33)21-5-8-24(9-6-21)36(34,35)32-12-3-4-13-32/h5-10,19,26H,3-4,11-18,20H2,1-2H3,(H,28,33)/p+1/t26-/m0/s1 InChI=1/C27H37N5O3S/c1-29-15-17-31(18-16-29)26(22-7-10-25-23(19-22)11-14-30(25)2)20-28-27(33)21-5-8-24(9-6-21)36(34,35)32-12-3-4-13-32/h5-10,19,26H,3-4,11-18,20H2,1-2H3,(H,28,33)/p+1/t26-/m0/s1/fC27H38N5O3S/h28-29H/q+1 C[NH+]1CCN(CC1)[C@@H](CNC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)c4ccc5c(c4)CCN5C C01[X(C27H38N5O3S1)] 216 C01 620 C[NH+]1CCN(CC1)[C@H](c1ccc2c(c1)CCN2C)CNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1 C[NH]1CCN(CC1)[C@H]([C]1[CH][CH][C]2[C]([CH]1)CCN2C)CNC(=O)[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N1CCCC1 CN1CC[C]2[CH][C]([CH][CH][C]12)[C@H](CNC(=O)[C]3[CH][CH][C]([CH][CH]3)[S](=O)(=O)N4CCCC4)N5CC[NH](C)CC5 InChIKey=LGHBCJULPCETIL-SANMLTNESA-N InChI=1S/C27H38N5O3S/c1-29-15-17-31(18-16-29)26(22-7-10-25-23(19-22)11-14-30(25)2)20-28-27(33)21-5-8-24(9-6-21)36(34,35)32-12-3-4-13-32/h5-10,19,26,29H,3-4,11-18,20H2,1-2H3,(H,28,33)/t26-/m0/s1 InChI=1/C27H38N5O3S/c1-29-15-17-31(18-16-29)26(22-7-10-25-23(19-22)11-14-30(25)2)20-28-27(33)21-5-8-24(9-6-21)36(34,35)32-12-3-4-13-32/h5-10,19,26,29H,3-4,11-18,20H2,1-2H3,(H,28,33)/t26-/m0/s1/f/h28H 4045.5617038137 -1938.6524874 1-A 33524.5613 137 483 620 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.26537 -20.62024 -20.60679 -20.60669 -15.84443 -15.68269 -15.67681 -15.65040 -15.64225 -11.44912 -11.43284 -11.43097 -11.42004 -11.39336 -11.38063 -11.37060 -11.36071 -11.34761 -11.34560 -11.34272 -11.33764 -11.33296 -11.33159 -11.33022 -11.33019 -11.32772 -11.32658 -11.32167 -11.32129 -11.32026 -11.31595 -11.30895 -11.30651 -11.30628 -11.29012 -11.28819 -9.23582 -6.92252 -6.92204 -6.92091 -1.53448 -1.48953 -1.48739 -1.40908 -1.36940 -1.35084 -1.33189 -1.32263 -1.25967 -1.23144 -1.19949 -1.17702 -1.14916 -1.14469 -1.13051 -1.12195 -1.11780 -1.08297 -1.06891 -1.06468 -1.06178 -1.03776 -1.01055 -0.99430 -0.98185 -0.95056 -0.93485 -0.92834 -0.92583 -0.89198 -0.88164 -0.87443 -0.87035 -0.85112 -0.84981 -0.84254 -0.82865 -0.81673 -0.80157 -0.79158 -0.78418 -0.77446 -0.76408 -0.76000 -0.75426 -0.74676 -0.73847 -0.73246 -0.72671 -0.72524 -0.72499 -0.71909 -0.71297 -0.71106 -0.69729 -0.69658 -0.69311 -0.68711 -0.68484 -0.67787 -0.66665 -0.66411 -0.66319 -0.65960 -0.65152 -0.64973 -0.64530 -0.63946 -0.63711 -0.63487 -0.61970 -0.61756 -0.60740 -0.60601 -0.60203 -0.59341 -0.59257 -0.58972 -0.57685 -0.57419 -0.57300 -0.56144 -0.55422 -0.55257 -0.54968 -0.53926 -0.52279 -0.52082 -0.51624 -0.49717 -0.48406 -0.47314 -0.46081 -0.43189 -0.42611 -0.41799 -0.35796 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0.07008 0.09071 0.11019 0.12247 0.13041 0.13055 0.14092 0.14581 0.15083 0.15600 0.15878 0.16246 0.16735 0.17219 0.17891 0.18213 0.18723 0.19022 0.19240 0.20013 0.20398 0.20610 0.20819 0.21283 0.21947 0.22320 0.22851 0.23005 0.23186 0.23890 0.24400 0.24490 0.24863 0.25091 0.25569 0.25705 0.25934 0.26248 0.26565 0.26904 0.26956 0.27408 0.27715 0.27746 0.28958 0.29306 0.29393 0.29745 0.30070 0.30277 0.30879 0.31222 0.31607 0.31753 0.32026 0.33344 0.33525 0.34811 0.34919 0.35574 0.36544 0.37458 0.38195 0.39047 0.39627 0.40431 0.40969 0.41337 0.41835 0.43218 0.45048 0.45644 0.46498 0.47334 0.48616 0.49019 0.50749 0.51728 0.54191 0.54548 0.55000 0.56024 0.56797 0.57644 0.59599 0.60341 0.61493 0.62059 0.62373 0.63440 0.64369 0.64645 0.64821 0.66262 0.66410 0.66984 0.67177 0.67414 0.68601 0.69124 0.69394 0.70007 0.70359 0.70611 0.70905 0.71168 0.71806 0.71999 0.72747 0.72914 0.73180 0.73414 0.74285 0.74406 0.74767 0.75045 0.75169 0.77187 0.77457 0.78430 0.78700 0.79946 0.80402 0.80659 0.80981 0.81327 0.81791 0.82124 0.83323 0.83656 0.84303 0.84338 0.84961 0.86588 0.86973 0.87104 0.87810 0.89085 0.89352 0.89755 0.90087 0.91239 0.92018 0.92123 0.93244 0.93866 0.94263 0.94769 0.95286 0.95503 0.96469 0.96888 0.97405 0.97885 0.98169 0.98395 0.98726 0.99214 0.99591 0.99795 1.00897 1.01177 1.01254 1.01962 1.02268 1.02974 1.03053 1.03533 1.04058 1.04253 1.04432 1.04982 1.05126 1.05463 1.06104 1.06191 1.06876 1.07037 1.07179 1.07332 1.07801 1.07906 1.08266 1.08919 1.09120 1.09676 1.10233 1.10413 1.10517 1.10870 1.11052 1.11488 1.11748 1.12746 1.13345 1.13837 1.14843 1.15332 1.15740 1.15920 1.16442 1.17026 1.17091 1.17259 1.17971 1.18264 1.20024 1.20296 1.21548 1.21995 1.22458 1.22758 1.23527 1.24738 1.26028 1.28229 1.28562 1.29215 1.29503 1.30069 1.31311 1.32026 1.33184 1.33546 1.34099 1.34744 1.35627 1.37004 1.37312 1.38022 1.38922 1.39436 1.40547 1.41014 1.42495 1.43289 1.44384 1.44892 1.45930 1.46529 1.47621 1.48018 1.48498 1.48695 1.51325 1.52192 1.53410 1.53996 1.54985 1.55519 1.56204 1.56917 1.58420 1.60143 1.60853 1.62177 1.62557 1.63647 1.64391 1.65292 1.65964 1.66986 1.67228 1.68295 1.69024 1.69612 1.70358 1.71586 1.72988 1.73432 1.75147 1.76008 1.77229 1.77792 1.79587 1.81901 1.83408 1.87366 1.89489 1.89621 1.90438 1.90985 1.92080 1.93142 1.93528 1.93974 1.94774 1.96821 1.97275 1.97938 1.98939 1.99172 1.99927 2.01060 2.02372 2.02885 2.03392 2.04151 2.04534 2.04856 2.05347 2.05562 2.06557 2.07274 2.08012 2.09089 2.09527 2.10179 2.10554 2.11203 2.11372 2.12109 2.12733 2.13357 2.14302 2.14588 2.15083 2.16171 2.16901 2.18484 2.18784 2.20153 2.20317 2.20980 2.21278 2.21618 2.22261 2.23686 2.24052 2.24775 2.25250 2.25801 2.26161 2.26246 2.27653 2.28156 2.29051 2.29626 2.30203 2.30336 2.31033 2.31518 2.32148 2.32778 2.33785 2.34445 2.35116 2.36382 2.36928 2.37333 2.37614 2.38044 2.38589 2.38875 2.40293 2.40534 2.41587 2.41777 2.42569 2.44264 2.44615 2.45304 2.47420 2.47751 2.48434 2.48871 2.49079 2.49655 2.51135 2.52019 2.52250 2.53453 2.54163 2.54396 2.55426 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59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 6 7 1 6 6 7 6 6 6 1 6 7 6 8 6 6 6 6 6 6 16 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 7 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 1 1 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783 7826.8172 55015.5099 58354.3779 0.99998 -0.00402 0.00508 0.00402 0.99999 0.00096 -0.00509 -0.00094 0.99999 1 0.01107 0.00157 0.00148 0.23058 0.03280 0.03093 15.65 17.51 25.98 37.32 48.19 53.51 66.07 80.47 86.43 104.79 115.99 137.13 171.24 175.25 179.89 205.35 220.26 239.08 270.18 286.18 297.57 305.61 321.55 345.95 348.34 357.06 370.06 381.16 393.06 421.08 465.68 480.59 488.87 528.98 538.64 552.94 560.00 585.48 619.91 655.75 670.65 681.70 698.09 711.12 716.88 748.59 754.63 769.71 787.98 806.85 847.91 890.90 891.86 898.53 930.03 933.64 967.27 989.46 996.77 1060.17 1114.76 1133.63 1155.02 1172.63 1182.71 1198.53 1221.45 1240.01 1254.79 1306.26 1309.15 1336.29 1345.32 1355.32 1373.11 1378.18 1406.06 1411.74 1428.74 1443.57 1455.40 1468.38 1487.67 1507.27 1528.85 1538.36 1547.32 1570.68 1585.95 1591.40 1592.35 1595.12 1608.22 1616.23 1640.46 1647.97 1651.37 1685.40 1703.13 1710.09 1721.95 1726.46 1733.68 1758.92 1770.85 1784.18 1803.77 1808.96 1812.55 1826.72 1836.96 1840.45 1852.54 1860.80 1874.09 1878.73 1893.31 1894.58 1897.95 1901.27 1906.96 1932.93 1937.03 1964.14 1974.64 1987.62 2008.04 2010.70 2028.67 2054.74 2071.13 2088.51 2091.93 2097.43 2106.17 2109.15 2119.42 2123.93 2125.96 2151.82 2169.79 2178.79 2188.20 2202.98 2203.05 2218.79 2231.43 2239.81 2256.43 2266.80 2276.12 2297.49 2311.02 2312.63 2320.94 2337.55 2347.12 2349.33 2354.25 2362.83 2363.53 2364.15 2365.36 2369.40 2375.74 2376.11 2385.59 2394.77 2408.21 2408.45 2422.05 2425.97 2487.10 2536.56 2562.33 2609.52 2611.19 2741.61 4517.72 4533.30 4538.24 4550.28 4600.44 4629.32 4639.84 4643.60 4657.08 4670.89 4690.86 4698.89 4702.54 4704.36 4708.39 4720.30 4723.04 4723.19 4728.43 4733.06 4751.32 4757.27 4794.21 4802.38 4803.96 4804.12 4831.57 4832.41 4838.06 4843.55 4844.57 4863.76 4882.32 4902.87 4913.64 4924.26 5303.58 5620.30 0.687573 0.719578 0.720523 0.619221 -1937.964914 -1937.932909 -1937.931965 -1938.033266 3.397652D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE C[NH+]1CCN(CC1)[C@@H](CNC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)c4ccc5c(c4)CCN5C C38672566 RHF 6-31G(d) (6D,10F) C1 512.269537 |X|Y|Z| 57.639315 38.124011 169.554300 71.957390 31 6 7 16 25 5 1 |36.858105| |12.803257|53.358707| |9.375517|25.695882|0.500000| |7.661882|17.207922|0.259097|36.858105| |4.992313|10.466450|0.198950|12.553996|36.858105| |4.502455|9.086712|0.166057|7.879333|13.172907|53.358707| |4.986885|10.445915|0.198236|6.654953|8.028117|17.979794|36.858105| |7.676013|17.266783|0.259532|7.691718|6.661018|10.712355|12.515236|36.858105| |3.340871|6.018095|0.116743|5.058528|7.665598|17.620715|7.762917|5.077826|36.858105| |3.145008|5.485845|0.105677|4.291726|5.690554|12.746952|7.553280|4.966516|17.562956|0.500000| |2.958811|5.010300|0.095297|4.465745|6.141056|10.464334|5.065140|3.971494|12.383434|0.251076|36.858105| |2.990217|4.871512|0.089288|4.278403|5.138488|8.770952|4.619909|3.942687|7.624067|0.199820|13.163240|53.358707| |3.272074|5.173134|0.091981|4.747068|5.155802|7.883243|4.276241|3.999843|5.631613|0.143846|7.735917|19.250059|36.858105| |3.646405|5.802021|0.102283|5.878230|6.156418|8.142974|4.304842|4.153666|5.318578|0.127275|6.794013|11.564044|15.758333|73.516695| |2.973616|4.423889|0.078694|3.779710|3.802223|5.762032|3.504892|3.467482|4.085679|0.112317|5.007275|10.673301|12.663269|14.335276|36.858105| |3.171804|4.483455|0.078649|3.783892|3.524406|5.077450|3.227428|3.402260|3.401412|0.092653|3.880038|7.114419|7.709296|12.122982|13.712956|36.858105| |2.761503|3.777935|0.067456|3.041346|2.830100|4.077774|2.713528|2.886809|2.785518|0.077544|3.092913|5.392092|5.068777|8.120014|7.911819|13.777725|36.858105| |2.375684|3.296491|0.059923|2.609077|2.514530|3.701904|2.488575|2.574104|2.626431|0.074715|2.935115|5.129279|4.456798|6.807483|6.873072|7.966158|13.741558|36.858105| |2.283203|3.263646|0.059793|2.600927|2.602953|3.930866|2.600870|2.593581|2.896986|0.083662|3.332950|6.061267|4.998375|7.117650|7.910295|6.871270|7.909394|13.744158|36.858105| |2.502142|3.690893|0.067240|3.024398|3.114589|4.805807|3.045328|2.951524|3.611774|0.103692|4.388105|8.909565|7.469473|9.381668|13.695919|7.939978|6.866420|7.961103|13.768379|36.858105| |2.039571|2.771062|0.051149|2.139054|2.051531|2.981827|2.063200|2.149615|2.123185|0.060637|2.310001|3.810814|3.145099|5.036373|4.182457|4.721395|6.932006|10.683448|6.934807|4.720655|388.023441| |1.889650|2.594978|0.048298|1.978233|1.930132|2.850269|1.994207|2.047467|2.065201|0.059959|2.229029|3.648248|2.884527|4.546486|3.711238|3.866731|5.007343|7.396647|6.491474|4.436683|94.809236|73.516695| |2.132826|2.826697|0.051981|2.152913|2.015914|2.895327|2.033570|2.172430|2.016214|0.057259|2.148098|3.476062|2.898079|4.790971|3.711615|4.455212|6.550372|7.400643|4.983735|3.855142|94.782261|13.557853|73.516695| |1.829834|2.489819|0.046442|1.947053|1.880962|2.682441|1.837335|1.894221|1.931298|0.054430|2.130462|3.444650|2.833431|4.635997|3.619937|3.999086|5.355611|6.986055|5.441844|4.031543|84.167920|13.792087|13.805696|53.358707| |1.654817|2.279761|0.042929|1.786601|1.758803|2.514923|1.716945|1.738678|1.847824|0.052204|2.056416|3.289919|2.629420|4.270439|3.259499|3.373415|4.122442|5.315002|4.938803|3.773870|49.956278|11.609262|8.864901|17.670915|36.858105| |1.527267|2.088922|0.039586|1.638656|1.606440|2.260899|1.546698|1.571008|1.655641|0.046331|1.833516|2.865653|2.291307|3.821333|2.733458|2.868551|3.392019|3.958635|3.644986|3.013833|34.882406|7.892698|7.249511|11.156002|12.472243|36.858105| |1.633056|2.215694|0.041815|1.753268|1.697133|2.356956|1.603293|1.644468|1.703742|0.047172|1.890625|2.956786|2.425091|4.123027|2.899073|3.164349|3.784280|4.145585|3.615251|3.061407|34.736826|7.106136|7.736167|11.050375|7.940393|12.439732|36.858105| |1.815270|2.439889|0.045592|1.919274|1.830782|2.557583|1.748945|1.819662|1.821671|0.050650|2.003959|3.183032|2.657993|4.498209|3.286558|3.770605|4.899688|5.368214|4.212200|3.427812|50.116733|8.853250|11.650873|17.627702|7.755427|7.886722|12.429550|36.858105| |2.935176|5.174062|0.107294|4.193542|6.190503|10.226257|6.022081|4.134883|12.492483|0.250357|7.479128|6.758217|3.997923|7.037339|3.114692|2.696002|2.286161|2.178093|2.376001|2.847363|12.935514|3.165817|3.087259|2.290024|1.627126|1.478679|1.516466|1.600538|36.858105| |2.738842|4.711542|0.099571|3.969600|5.779715|7.763751|4.587815|3.495362|7.446213|0.156216|6.237227|5.791314|3.624244|6.686321|2.836458|2.499532|2.127636|2.015620|2.175981|2.579210|12.075763|2.932103|2.889678|2.173400|1.550340|1.425886|1.470878|1.537261|13.718776|36.858105| |2.395569|3.983913|0.086088|3.217820|4.259347|5.636885|3.668821|2.928877|4.953584|0.116641|4.343013|4.451425|2.869819|5.273007|2.352789|2.114339|1.841649|1.759151|1.886297|2.182831|10.756625|2.626054|2.583564|1.950564|1.399570|1.298132|1.334153|1.384806|7.823045|13.693429|36.858105| |2.246129|3.693415|0.080313|2.847026|3.614590|5.050929|3.520339|2.798732|4.409592|0.111687|3.719461|3.980748|2.554389|4.588468|2.152042|1.941824|1.716040|1.655275|1.776690|2.031189|10.232590|2.522784|2.460724|1.846760|1.327992|1.229787|1.254892|1.304315|6.814612|7.985727|13.765476|36.858105| |2.350197|3.904116|0.084244|2.924571|3.707587|5.577533|4.063719|3.098115|5.018287|0.134933|3.936036|4.252655|2.672183|4.690719|2.263604|2.027400|1.794128|1.740077|1.878873|2.152415|10.730744|2.665093|2.577171|1.914872|1.373991|1.261938|1.281489|1.340924|7.906317|6.927328|7.903837|13.630533|36.858105| |2.663378|4.561397|0.096357|3.441555|4.560108|7.530624|5.377990|3.769521|7.535055|0.206799|5.142640|5.341483|3.235303|5.584797|2.674753|2.352482|2.050038|1.981927|2.158324|2.520830|12.012651|2.979758|2.874632|2.120558|1.513277|1.376472|1.399395|1.475634|13.582997|7.968927|6.831683|7.924018|13.895228|36.858105| |2.072356|3.335249|0.072046|2.432748|2.917830|4.347980|3.305885|2.655274|3.696296|0.104125|3.055521|3.494844|2.240636|3.910061|1.960004|1.777829|1.602506|1.567903|1.685485|1.893417|9.834390|2.462055|2.368392|1.757598|1.265909|1.166677|1.178068|1.229807|4.919969|4.491157|5.182769|8.078896|12.597505|7.252889|36.858105| |1.936302|3.072804|0.067184|2.258468|2.669704|3.784723|2.833785|2.360612|3.107833|0.084429|2.669470|3.072732|2.015896|3.581334|1.769468|1.624896|1.469800|1.431254|1.524613|1.700064|9.041148|2.250858|2.187045|1.630592|1.175447|1.092915|1.107696|1.150519|4.062595|4.117896|5.229983|8.285456|8.062383|5.133979|12.384449|36.858105| |1.977132|3.160977|0.068917|2.395593|2.897802|4.003258|2.868631|2.378960|3.350246|0.087678|2.941831|3.295335|2.156501|3.870131|1.863248|1.701951|1.526284|1.480110|1.580099|1.777637|9.282501|2.296870|2.238276|1.684328|1.215952|1.132961|1.152752|1.192657|4.574067|5.127388|7.621130|13.772735|8.329052|5.326286|8.063766|13.047368|53.358707| |1.868670|2.940384|0.064465|2.241595|2.651097|3.528839|2.514985|2.154903|2.849604|0.073667|2.581139|2.942426|1.970151|3.588201|1.713641|1.584575|1.426730|1.377651|1.457947|1.627773|8.694714|2.140672|2.105654|1.589226|1.147168|1.077197|1.100327|1.133937|3.682577|4.314426|6.256577|7.739853|5.262433|3.949966|5.115186|7.660940|17.989384|36.858105| |17.641513|12.310663|0.223774|5.580997|4.158477|5.377186|4.643653|7.080823|3.040773|0.081450|2.660244|3.646601|2.859490|5.488428|2.649857|2.800966|2.505746|2.199101|2.118462|2.290548|13.684284|3.206301|3.591333|2.343309|1.562418|1.443371|1.531867|1.700608|2.729633|2.526491|2.252118|2.155125|2.277359|2.554267|2.044890|1.909121|2.612459|1.811917|0.500000| |17.644768|12.324044|0.224251|7.072513|4.652000|5.379542|4.156099|5.591846|3.038153|0.078217|2.753998|3.739957|3.023007|6.125047|2.740679|2.938853|2.573741|2.213341|2.120328|2.313371|13.638726|3.143388|3.569341|2.380087|1.586157|1.479298|1.591676|1.756075|2.742256|2.640439|2.339292|2.171454|2.226232|2.475237|1.967374|1.869857|2.621875|1.848399|0.299086|0.500000| |17.651487|12.355677|0.181543|6.979770|4.630302|5.923497|4.626256|6.978331|3.273066|0.086678|2.989083|4.274175|3.550224|6.999364|3.324297|3.681013|3.197533|2.681752|2.527372|2.750293|16.216021|3.707111|4.292566|2.749896|1.801566|1.653850|1.779307|2.006187|2.794308|2.590735|2.250347|2.106605|2.210821|2.523115|1.953956|1.814692|2.526336|1.749207|0.299145|0.299379|0.500000| |7.063949|12.342157|0.181626|17.665413|8.887493|9.720368|5.844367|6.970251|4.825516|0.117188|4.572227|6.472174|5.755697|13.272581|4.596812|4.763743|3.659895|3.031837|2.979061|3.494635|17.219077|3.919060|4.344193|2.969979|1.975721|1.798750|1.939738|2.150957|3.807569|3.556543|2.890196|2.576640|2.665117|3.148791|2.244140|2.069952|2.978155|2.043550|0.143587|0.175646|0.212290|0.500000| |7.116880|12.365967|0.226398|17.616923|8.788361|7.692239|4.981678|5.619548|4.128119|0.098154|3.803233|4.915217|4.021989|8.968413|3.304958|3.379380|2.780545|2.387095|2.355344|2.689759|14.173155|3.261539|3.589082|2.508591|1.694494|1.573903|1.695422|1.842520|3.661714|3.661572|3.071154|2.692343|2.690373|3.053675|2.265898|2.153659|3.134385|2.203348|0.145091|0.217718|0.173616|0.299218|0.500000| |4.169380|7.665800|0.145919|9.111099|17.692284|12.451665|5.748705|4.978486|7.160668|0.144953|6.987767|7.686997|5.814543|13.440018|4.061228|3.698386|2.919665|2.588964|2.698296|3.278511|14.876642|3.475557|3.619174|2.646835|1.827558|1.674235|1.777513|1.901761|5.862360|6.002006|4.324122|3.518584|3.486285|4.188795|2.746820|2.547487|3.851713|2.621525|0.097220|0.112117|0.111737|0.219577|0.214423|0.500000| |4.597873|9.362182|0.209084|8.845382|17.435491|12.228868|7.178779|5.820049|6.555929|0.139706|5.089937|5.638631|4.028902|8.216361|3.132569|2.932347|2.435642|2.198909|2.274311|2.664300|13.060117|3.096970|3.217522|2.311233|1.599752|1.473092|1.549828|1.658263|6.465467|6.492759|4.925864|4.119157|4.113843|4.878523|3.187349|2.973275|4.438016|3.002271|0.110637|0.123017|0.113106|0.173699|0.214195|0.301324|0.500000| |4.155745|7.633064|0.145115|4.969481|5.743364|12.474653|17.599800|9.026152|7.312667|0.240456|4.871855|6.281855|4.105227|6.939284|3.492874|3.159040|2.706684|2.540029|2.694716|3.142712|15.030074|3.690788|3.675326|2.535579|1.748232|1.561820|1.602288|1.750299|5.626506|4.140584|3.394007|3.373432|4.053493|5.480239|3.388851|2.812853|3.790424|2.404636|0.111646|0.096989|0.111407|0.130776|0.109248|0.127790|0.145068|0.500000| |4.580701|9.302147|0.207026|5.780679|7.138801|12.204144|17.422358|8.836694|6.616236|0.173670|4.401315|5.232397|3.546541|6.460048|2.951912|2.745988|2.356010|2.180238|2.272647|2.618407|13.119886|3.183522|3.240318|2.265045|1.566602|1.424549|1.474185|1.593823|6.266550|4.874642|4.041526|3.976948|4.647520|5.990521|3.746926|3.218263|4.380923|2.801570|0.122584|0.110242|0.112781|0.133772|0.130075|0.144636|0.213302|0.302430|0.500000| |7.116534|12.364856|0.226157|5.612361|4.984833|7.687518|8.766923|17.612651|4.148260|0.116520|3.308333|4.465633|3.292257|5.988654|2.966711|2.944425|2.588496|2.343428|2.347461|2.605996|14.281513|3.432509|3.638773|2.408740|1.627588|1.476668|1.538310|1.700509|3.597628|3.078360|2.675676|2.624718|2.927812|3.460572|2.590633|2.308723|3.100920|2.069417|0.217626|0.145171|0.173285|0.142644|0.126786|0.109411|0.130856|0.212551|0.214401|0.500000| |7.125993|12.432883|0.182270|6.992857|5.838921|9.673365|8.843185|17.635090|4.825426|0.134845|4.023723|5.832483|4.520421|8.133300|4.050150|4.048157|3.394391|2.975305|2.965228|3.376387|17.330892|4.095083|4.398350|2.867327|1.909452|1.708104|1.792207|2.010715|3.752319|3.189636|2.666297|2.535540|2.792303|3.392203|2.415775|2.146768|2.956265|1.973414|0.176948|0.144498|0.214082|0.208668|0.143197|0.130775|0.134240|0.217145|0.173289|0.299459|0.500000| |2.977453|5.011095|0.096048|4.728907|6.625787|9.300217|4.534853|3.728928|8.706001|0.174638|17.672286|12.640086|7.381557|13.597671|4.713371|3.807392|3.012468|2.801965|3.103182|3.995083|15.792364|3.752908|3.700475|2.835780|2.007705|1.814584|1.893900|1.993508|6.609069|6.555594|4.511829|3.660532|3.665178|4.516003|2.856132|2.582604|3.962587|2.622889|0.073277|0.078796|0.083067|0.133105|0.115667|0.244525|0.152263|0.115410|0.113109|0.086379|0.103714|0.500000| |2.546924|4.196586|0.081506|3.585625|4.689568|7.644900|4.192267|3.333107|8.931093|0.216967|17.596987|12.583295|5.849326|9.057686|4.293469|3.359295|2.784969|2.723925|3.148796|4.061441|15.558174|3.813607|3.579688|2.776748|2.005024|1.790246|1.823268|1.907429|7.103637|6.094935|4.448867|3.873028|4.095739|5.231314|3.193268|2.767067|4.184424|2.661450|0.064810|0.066406|0.071196|0.100821|0.087752|0.144303|0.116217|0.116503|0.105729|0.079963|0.093163|0.304673|0.500000| |2.738487|4.367129|0.080654|3.637636|4.217882|7.316441|4.238074|3.641742|6.469611|0.194454|9.074769|26.115744|9.422212|10.883781|7.472707|4.924724|3.941877|3.951287|4.935586|7.457043|20.878631|5.129486|4.670304|3.562126|2.525806|2.163789|2.192951|2.363224|4.476792|3.761370|2.997124|2.764758|3.012428|3.768529|2.530089|2.197241|3.158963|2.057946|0.069536|0.069493|0.080170|0.111153|0.086347|0.123054|0.098424|0.124320|0.098777|0.086531|0.111000|0.181877|0.226048|0.500000| |3.645910|5.072019|0.087417|4.427129|3.898408|5.355816|3.382804|3.680044|3.430222|0.090946|3.823298|6.606958|7.241918|13.683312|8.950736|17.764121|8.923975|5.657893|4.954898|5.657387|27.743867|5.763708|6.923930|4.666536|2.919333|2.575994|2.884697|3.387693|2.737785|2.570940|2.169562|1.975486|2.045778|2.365333|1.785275|1.644231|2.352418|1.619671|0.086868|0.094684|0.120213|0.163435|0.110658|0.113962|0.088860|0.089110|0.080042|0.087233|0.121586|0.107682|0.090158|0.121205|0.500000| |2.759664|3.655113|0.065396|2.897651|2.628364|3.707225|2.517616|2.740962|2.496701|0.069143|2.707913|4.517645|4.132891|7.016674|5.632140|8.904974|17.759671|8.928589|5.641125|4.952186|47.178342|8.223882|13.452095|7.178547|3.895673|3.341776|3.855387|5.241793|2.089623|1.961996|1.716716|1.604092|1.669903|1.888664|1.502001|1.387596|1.955731|1.352196|0.069828|0.072099|0.089779|0.096236|0.074916|0.074690|0.063597|0.069197|0.061417|0.069232|0.088952|0.074181|0.068003|0.090780|0.214138|0.500000| |2.046890|2.923736|0.054246|2.298435|2.325501|3.516972|2.363305|2.332247|2.642787|0.077217|3.006513|5.249920|4.067327|5.936506|5.633194|4.954329|5.638278|8.919387|17.757037|8.913720|47.143190|13.157351|8.153806|7.377454|5.396247|3.808729|3.556536|4.002996|2.214889|2.030702|1.782344|1.694615|1.795763|2.044923|1.628483|1.472051|2.067501|1.400356|0.053389|0.052986|0.062166|0.071596|0.058243|0.066657|0.057362|0.068731|0.058127|0.059488|0.072894|0.077374|0.081167|0.121364|0.107610|0.124233|0.500000| |2.333779|3.500747|0.064749|2.859192|3.054720|4.794177|3.019048|2.822472|3.812485|0.111354|4.788692|9.733101|6.809685|8.562149|8.846453|5.632299|4.950406|5.675172|9.000820|17.732238|27.854097|6.920825|5.755174|4.738124|3.428690|2.781503|2.759853|2.980954|3.021095|2.716346|2.296088|2.143547|2.281913|2.683112|2.002844|1.784532|2.545798|1.698829|0.059807|0.060105|0.069853|0.089182|0.070732|0.089672|0.073495|0.087713|0.072824|0.069571|0.087560|0.117113|0.129308|0.255494|0.124015|0.107541|0.217149|0.500000| |1.693068|2.359987|0.044440|1.869263|1.861635|2.670030|1.800098|1.801946|1.984470|0.055961|2.248792|3.635392|2.896786|4.639490|3.619768|3.610218|4.263815|5.572990|5.663037|4.339074|43.697192|10.332627|7.768290|12.249337|17.518591|8.778464|6.701023|6.262105|1.740042|1.659303|1.490799|1.408435|1.455338|1.608094|1.333710|1.235935|1.748357|1.209051|0.044183|0.045061|0.051029|0.057473|0.049093|0.054183|0.046865|0.050906|0.045526|0.046519|0.054885|0.060959|0.061249|0.077890|0.085486|0.107115|0.175328|0.110777|0.500000| |1.586930|2.188477|0.041337|1.696517|1.676838|2.418342|1.667679|1.684451|1.784918|0.050907|1.965510|3.125653|2.449075|3.953617|2.997016|3.049157|3.670546|4.767139|4.606420|3.520953|46.629630|13.089895|8.358280|12.334922|17.663617|8.679984|5.699663|5.788380|1.577898|1.495047|1.355206|1.295314|1.346929|1.481388|1.248673|1.156175|1.619374|1.119517|0.041927|0.042082|0.047822|0.051772|0.044552|0.048035|0.042560|0.047557|0.042356|0.044095|0.051301|0.052809|0.053576|0.067482|0.073632|0.096389|0.148124|0.090805|0.300440|0.500000| |1.445455|1.989514|0.037897|1.565767|1.549177|2.175842|1.483565|1.493716|1.608478|0.044921|1.790574|2.772231|2.190465|3.658039|2.562202|2.626572|2.997126|3.447287|3.323073|2.834567|28.291506|6.674532|5.953411|7.921000|8.733368|17.591411|8.678094|5.641155|1.447417|1.403014|1.282419|1.214345|1.241562|1.348360|1.149323|1.079320|1.526643|1.068157|0.037958|0.039006|0.043165|0.047421|0.041886|0.045041|0.039634|0.041594|0.038134|0.038997|0.044791|0.049367|0.048998|0.058141|0.065993|0.080885|0.097500|0.074355|0.218604|0.194338|0.500000| |1.455096|1.977951|0.037577|1.536274|1.500294|2.112398|1.459875|1.489559|1.541487|0.043281|1.685705|2.611450|2.072996|3.473658|2.444298|2.578518|3.047107|3.509986|3.207173|2.671408|32.296911|7.565575|7.050960|9.431554|8.862877|17.563667|8.809361|6.793501|1.383998|1.332783|1.219476|1.161121|1.193426|1.297267|1.109549|1.040572|1.461940|1.022312|0.038435|0.039149|0.043718|0.046625|0.041052|0.043134|0.038400|0.041036|0.037476|0.039165|0.044905|0.046223|0.045736|0.054847|0.065053|0.085045|0.093556|0.068851|0.174355|0.220214|0.301407|0.500000| |1.673808|2.288236|0.043189|1.834257|1.785742|2.466294|1.657794|1.689163|1.790937|0.049231|2.015512|3.157310|2.609262|4.453102|3.106026|3.353235|3.885012|4.168327|3.739590|3.255531|31.555052|6.511595|6.926550|9.088410|6.833634|8.829485|17.551073|8.824155|1.592391|1.553451|1.404496|1.312468|1.334187|1.458087|1.219954|1.148626|1.636310|1.148678|0.043329|0.045465|0.050527|0.056466|0.049374|0.052489|0.045176|0.045804|0.042326|0.043594|0.051004|0.056549|0.054010|0.064542|0.084980|0.107152|0.100480|0.081704|0.188159|0.137974|0.217217|0.173945|0.500000| |1.547600|2.085503|0.039535|1.643529|1.584139|2.182723|1.493153|1.537061|1.572249|0.043402|1.729637|2.664723|2.174522|3.750779|2.536482|2.776361|3.245374|3.428147|3.016662|2.627795|28.388199|5.976325|6.734761|7.949667|5.664057|8.674580|17.594976|8.731845|1.412041|1.376786|1.256635|1.183307|1.204213|1.307210|1.111052|1.049889|1.486235|1.047079|0.040446|0.042158|0.046669|0.050183|0.044494|0.045994|0.040445|0.041312|0.038369|0.040138|0.046252|0.048366|0.046358|0.054579|0.072041|0.093938|0.082335|0.066534|0.136305|0.125977|0.196350|0.216199|0.302002|0.500000| |1.759954|2.338923|0.043808|1.816987|1.720152|2.398521|1.660672|1.742545|1.697666|0.047312|1.839625|2.886475|2.388644|4.078554|2.892107|3.329851|4.265281|4.534260|3.594319|2.979397|44.402053|8.218768|11.991604|12.352025|6.059439|6.467994|8.708517|17.617450|1.501009|1.440931|1.305129|1.235003|1.270983|1.393301|1.171927|1.098509|1.543434|1.080197|0.046125|0.047351|0.054052|0.056253|0.048627|0.049221|0.043532|0.046195|0.042209|0.045626|0.053384|0.050765|0.048626|0.059513|0.085072|0.132219|0.095930|0.072804|0.134737|0.140677|0.133217|0.179864|0.174677|0.219652|0.500000| |1.983404|2.655994|0.049306|2.112191|1.993266|2.760506|1.872364|1.961946|1.945101|0.053632|2.149345|3.435148|2.945656|5.053527|3.679572|4.433942|5.886175|5.830600|4.388181|3.677081|46.401460|7.984184|11.493540|12.215218|5.913137|5.735900|8.719609|17.587218|1.696919|1.633617|1.462549|1.368741|1.403806|1.550548|1.279151|1.197605|1.695702|1.185604|0.051113|0.053442|0.061391|0.066542|0.056440|0.057795|0.049784|0.051615|0.047186|0.050537|0.060520|0.059875|0.056172|0.069828|0.111716|0.183079|0.109968|0.086895|0.149587|0.128421|0.127062|0.137604|0.223965|0.192353|0.301763|0.500000| |2.807755|4.794336|0.099654|4.284919|6.332789|7.694729|4.289783|3.425504|6.859933|0.140322|6.717738|6.174387|3.982538|7.648292|3.033578|2.675140|2.246236|2.105088|2.262835|2.703525|12.506776|3.004802|2.991369|2.266724|1.613532|1.488832|1.547971|1.614289|8.894479|17.709444|9.006281|5.690811|4.979824|5.645047|3.585329|3.387855|5.637364|3.740496|0.070598|0.076235|0.074361|0.107383|0.111937|0.206477|0.189291|0.105497|0.121489|0.082502|0.088383|0.228152|0.173330|0.107232|0.077275|0.057469|0.058127|0.078430|0.048141|0.042894|0.040718|0.038476|0.045724|0.040231|0.041847|0.047970|0.500000| |2.246894|3.657741|0.079075|2.984897|3.809823|4.834575|3.149959|2.621787|4.056155|0.096569|3.784186|4.008348|2.652972|4.947442|2.198282|1.997189|1.748553|1.667077|1.776176|2.038713|10.258622|2.494642|2.468571|1.877206|1.349821|1.261482|1.300531|1.341999|5.605859|8.906974|17.741368|8.856816|5.612504|4.932596|4.226361|4.570235|9.176370|6.668720|0.058542|0.061920|0.058703|0.074820|0.081374|0.110569|0.121707|0.080650|0.095059|0.066879|0.066907|0.113323|0.107396|0.074806|0.057189|0.045526|0.046670|0.059249|0.039916|0.036207|0.034721|0.032915|0.038127|0.034157|0.035149|0.039391|0.218492|0.500000| |2.669470|4.526698|0.094154|3.301164|4.179475|7.322257|5.675168|3.937536|7.016163|0.229106|4.791378|5.315222|3.205148|5.398370|2.713304|2.383165|2.094277|2.041116|2.231507|2.592102|12.398410|3.102701|2.965308|2.165579|1.542973|1.394292|1.410070|1.495160|8.852235|5.649510|4.927226|5.639034|8.979753|17.673020|6.554016|4.482539|5.882488|3.327284|0.072069|0.067780|0.070851|0.085472|0.080253|0.104839|0.119334|0.177916|0.169757|0.102253|0.099382|0.112778|0.134506|0.107937|0.065881|0.053488|0.059004|0.076767|0.045417|0.042204|0.037819|0.036601|0.040594|0.036512|0.039302|0.043478|0.123779|0.107122|0.500000| |2.126890|3.409849|0.073997|2.421491|2.846719|4.291656|3.412479|2.759784|3.521638|0.101528|2.864366|3.356391|2.173141|3.785642|1.921380|1.756608|1.591281|1.555836|1.663602|1.855716|9.801731|2.459112|2.372478|1.741154|1.248905|1.149449|1.160143|1.216965|4.431899|3.907660|4.262167|5.912139|8.706096|6.439578|17.584683|8.687392|7.919701|4.207887|0.059065|0.055663|0.055484|0.061995|0.062353|0.073042|0.086085|0.098825|0.109080|0.076369|0.069211|0.073877|0.081521|0.067915|0.049034|0.041578|0.044656|0.054146|0.036384|0.034312|0.031350|0.030462|0.033231|0.030416|0.032331|0.035130|0.089028|0.098988|0.181152|0.500000| |1.909849|3.035408|0.064554|2.231660|2.650310|3.989342|2.984015|2.429294|3.457392|0.099564|2.959738|3.425288|2.177315|3.750154|1.923883|1.733816|1.572446|1.554003|1.683459|1.886187|9.781476|2.465575|2.341282|1.751911|1.270094|1.168849|1.173348|1.220325|4.418392|4.022824|4.520267|6.446818|8.870358|6.208169|17.538651|8.762189|9.009691|4.474893|0.052278|0.050334|0.050610|0.058109|0.057706|0.070411|0.078455|0.086568|0.090688|0.065689|0.062570|0.076113|0.088177|0.069944|0.047925|0.040812|0.045544|0.055968|0.037247|0.034915|0.032077|0.030879|0.033743|0.030701|0.032264|0.035108|0.091459|0.105343|0.165207|0.301737|0.500000| |2.001101|3.167011|0.070317|2.290345|2.669554|3.727643|2.854591|2.410945|2.952756|0.079812|2.511323|2.923788|1.946612|3.489865|1.714156|1.590753|1.440852|1.394893|1.473413|1.635193|8.837563|2.192981|2.151922|1.591264|1.141594|1.063762|1.081698|1.126882|3.768145|3.817242|4.715135|6.745079|6.603198|4.626187|8.759388|17.456790|12.304290|7.018243|0.055226|0.053855|0.051565|0.057738|0.061076|0.069784|0.083878|0.077761|0.091962|0.066299|0.060199|0.067983|0.070794|0.057794|0.045004|0.037993|0.039392|0.047239|0.033212|0.031171|0.029109|0.028192|0.031096|0.028546|0.029982|0.032635|0.088893|0.117159|0.114580|0.221632|0.174624|0.500000| |1.746245|2.726265|0.059123|2.003794|2.325870|3.294797|2.460155|2.092268|2.693924|0.074006|2.378286|2.786117|1.836905|3.248987|1.632841|1.503384|1.371178|1.343024|1.430757|1.583048|8.550625|2.136835|2.066158|1.548059|1.120841|1.044974|1.055428|1.092050|3.379285|3.428801|4.226060|5.970723|5.807273|4.123868|8.652945|17.605655|12.342312|6.714568|0.047975|0.046970|0.045760|0.051574|0.053344|0.062259|0.070777|0.068468|0.076052|0.057132|0.053492|0.063980|0.069076|0.055802|0.042086|0.036027|0.038606|0.046235|0.032701|0.030700|0.028736|0.027691|0.030361|0.027836|0.029004|0.031459|0.080957|0.107429|0.104189|0.190550|0.220485|0.300722|0.500000| |1.704004|2.642909|0.057669|1.995376|2.312128|3.106326|2.239098|1.946607|2.491891|0.065577|2.281708|2.652600|1.783940|3.229558|1.572999|1.460260|1.326145|1.286881|1.360298|1.506295|8.187267|2.023082|1.983637|1.499653|1.085655|1.021939|1.040609|1.069814|3.111861|3.502050|4.677182|5.702341|4.395453|3.384151|4.657584|7.151447|12.556931|17.603510|0.046210|0.046821|0.044488|0.050997|0.054544|0.063454|0.071563|0.060177|0.068690|0.052417|0.049857|0.063953|0.065648|0.052034|0.041311|0.035006|0.036485|0.043674|0.031715|0.029511|0.028191|0.027012|0.030106|0.027563|0.028374|0.030959|0.086161|0.136201|0.082037|0.109108|0.117887|0.183201|0.204040|0.500000| |1.831874|2.874653|0.062468|2.235458|2.653894|3.487039|2.423860|2.087671|2.838059|0.072429|2.647814|3.000489|2.012560|3.682326|1.742952|1.607496|1.443862|1.393755|1.477427|1.654215|8.776837|2.154946|2.119311|1.613305|1.167694|1.099088|1.124424|1.153751|3.633941|4.461448|6.589951|6.934948|4.672382|3.707842|4.291170|5.619056|12.457956|17.601928|0.048908|0.050597|0.047910|0.056923|0.061424|0.074546|0.082747|0.064078|0.073684|0.055124|0.053578|0.076024|0.076405|0.057947|0.045652|0.037955|0.039390|0.048050|0.034291|0.031561|0.030356|0.028900|0.032733|0.029724|0.030446|0.033546|0.110879|0.222549|0.086436|0.099099|0.108905|0.141259|0.142490|0.303074|0.500000| 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