Version2.0 2020-01-10T09:52:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](Cc1ccc(cc1)F)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H]4CCCN4C(=O)C(F)(F)F C39688425 RHF 6-31G(d) (6D,7F) C[C@H](Cc1ccc(cc1)F)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H]4CCCN4C(=O)C(F)(F)F C01[X(C25H33F4N4O3)] 201 C1 606 C[C@H](Cc1ccc(cc1)F)NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F C[C@H](Cc1ccc(cc1)F)NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F C[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H]4CCCN4C(=O)C(F)(F)F InChIKey=PFRKSAJPYMBCSX-AHRSYUTCSA-O InChI=1S/C25H32F4N4O3/c1-16(13-17-4-6-18(26)7-5-17)31-21(34)19-14-32(15-24(19)8-10-30-11-9-24)22(35)20-3-2-12-33(20)23(36)25(27,28)29/h4-7,16,19-20,30H,2-3,8-15H2,1H3,(H,31,34)/p+1/t16-,19-,20+/m1/s1 InChI=1/C25H32F4N4O3/c1-16(13-17-4-6-18(26)7-5-17)31-21(34)19-14-32(15-24(19)8-10-30-11-9-24)22(35)20-3-2-12-33(20)23(36)25(27,28)29/h4-7,16,19-20,30H,2-3,8-15H2,1H3,(H,31,34)/p+1/t16-,19-,20+/m1/s1/fC25H33F4N4O3/h30-31H/q+1 C[C@H](Cc1ccc(cc1)F)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H]4CCCN4C(=O)C(F)(F)F C01[X(C25H33F4N4O3)] 201 C01 606 C[C@H](Cc1ccc(cc1)F)NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F C[C@H](Cc1ccc(cc1)F)NC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F C[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)[C@@H]4CCCN4C(=O)C(F)(F)F InChIKey=XZNFMXQZVURKQW-AHRSYUTCSA-N InChI=1S/C25H33F4N4O3/c1-16(13-17-4-6-18(26)7-5-17)31-21(34)19-14-32(15-24(19)8-10-30-11-9-24)22(35)20-3-2-12-33(20)23(36)25(27,28)29/h4-7,16,19-20H,2-3,8-15,30H2,1H3,(H,31,34)/t16-,19-,20+/m1/s1 InChI=1/C25H33F4N4O3/c1-16(13-17-4-6-18(26)7-5-17)31-21(34)19-14-32(15-24(19)8-10-30-11-9-24)22(35)20-3-2-12-33(20)23(36)25(27,28)29/h4-7,16,19-20H,2-3,8-15,30H2,1H3,(H,31,34)/t16-,19-,20+/m1/s1/f/h31H 4481.8110771332 -1805.9353086 1-A 16075.4833 135 471 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.42188 -26.42090 -26.41862 -26.38610 -20.63746 -20.62910 -20.61712 -15.84920 -15.69236 -15.68834 -15.68275 -11.58752 -11.45841 -11.45513 -11.44205 -11.44059 -11.43316 -11.40084 -11.37685 -11.37547 -11.37191 -11.36951 -11.36766 -11.36218 -11.35842 -11.35258 -11.35111 -11.32528 -11.32389 -11.32226 -11.32020 -11.31896 -11.31857 -11.31686 -11.31450 -11.29417 -1.82230 -1.71819 -1.71793 -1.70302 -1.50756 -1.49650 -1.48817 -1.48420 -1.36973 -1.36467 -1.33896 -1.24950 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0.90557 0.91428 0.92374 0.92809 0.93352 0.93905 0.94700 0.95526 0.96177 0.96333 0.97049 0.97231 0.97670 0.98572 0.99155 0.99660 0.99867 1.00603 1.00865 1.01377 1.01939 1.02521 1.02621 1.03031 1.03318 1.03555 1.03978 1.04287 1.04916 1.05311 1.05676 1.05937 1.06555 1.06824 1.07832 1.08173 1.08513 1.08915 1.09901 1.10051 1.10640 1.10959 1.11512 1.11685 1.12585 1.12899 1.13229 1.13946 1.14174 1.14970 1.15432 1.16187 1.16486 1.16665 1.18271 1.19170 1.19316 1.19998 1.21073 1.21283 1.22583 1.23397 1.24430 1.25369 1.26125 1.27438 1.28365 1.29030 1.29924 1.30821 1.31372 1.32170 1.33407 1.34290 1.34792 1.35624 1.36436 1.36933 1.36944 1.37967 1.38370 1.40391 1.40675 1.42092 1.42617 1.44006 1.44879 1.45855 1.46502 1.47565 1.48334 1.49807 1.50118 1.51642 1.52563 1.53664 1.54481 1.55403 1.55949 1.57130 1.58581 1.58876 1.59231 1.59627 1.60055 1.61140 1.62517 1.63361 1.63952 1.64355 1.65020 1.65578 1.66681 1.67046 1.68316 1.69308 1.70057 1.70504 1.70999 1.72246 1.72602 1.74752 1.75852 1.76755 1.79208 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1.9456 2.1518 2.1789 1.7516 2.6793 2.1489 2.0504 1.5606 1.9271 1.4713 1.2246 1.8894 2.0744 2.5399 1.9743 1.8255 1.3347 1.6959 2.2933 1.8029 2.0066 4.0165 1.6596 4.2429 2.4959 1.9381 1.7228 3.5342 1.5461 1.2776 1.3134 1.2467 1.3159 1.2659 1.3857 1.4923 1.3975 1.3630 1.3838 1.4823 1.5140 1.6272 1.4295 1.4410 1.3943 1.5077 1.2367 1.3140 1.5275 2.4245 1.3854 2.5303 1.0671 1.0983 1.1017 1.0870 1.0484 1.2767 1.0933 1.1210 2.7952 1.0904 1.2398 1.0953 1.1169 2.6832 2.0085 6.5388 5.7212 1.0779 8.5513 12.2890 10.7747 1.0834 1.0499 1.0757 1.0513 1.0664 1.0680 1.0651 1.1019 1.0616 1.0686 1.0996 1.0626 1.0623 1.0615 1.0985 1.0975 1.1016 1.0962 1.0963 1.1028 1.0992 1.1071 1.1085 1.1008 1.1026 1.1046 1.0909 1.0910 1.0953 1.0956 1.0568 1.0953 1.0786 0.0005 0.0024 0.0049 0.0048 0.0054 0.0060 0.0084 0.0109 0.0128 0.0231 0.0150 0.0212 0.0190 0.0332 0.0667 0.0495 0.0796 0.0686 0.0865 0.0899 0.0806 0.1244 0.1310 0.1112 0.0949 0.0704 0.1114 0.1657 0.1632 0.2582 0.2071 0.2216 0.3962 0.3263 0.4369 0.2567 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6.9261 6.7043 6.7106 6.7426 7.0038 7.0071 7.0458 7.0223 7.0287 7.0954 7.1027 7.2024 7.2528 7.2176 7.2768 7.2915 7.2508 7.2905 7.4407 7.4906 8.3537 8.9859 9.5960 0.1504 2.2553 0.5638 5.4061 4.0577 1.0979 2.7645 6.5190 4.6054 3.8269 7.3069 3.8205 2.2631 0.6591 1.5103 5.5567 2.7103 4.0869 1.7980 5.8572 2.4033 0.9995 1.6368 18.7140 0.1438 3.5556 0.7338 4.5128 10.6421 2.9871 5.8994 1.6377 3.8631 11.9042 1.9826 10.0517 0.9140 25.9188 5.0113 3.6506 2.3196 5.9762 42.8869 24.7476 8.7337 48.9993 13.4749 3.1736 0.7096 6.3419 13.0622 3.8539 19.9126 1.2870 6.5691 17.5563 0.2920 7.9375 32.8885 2.8008 10.2046 7.3132 1.2536 7.7745 3.6498 6.6295 11.2458 36.6795 3.5311 45.9798 6.4176 11.7454 0.6344 8.8505 25.9419 23.5648 0.3943 1.8303 7.2558 7.5694 9.8585 2.7308 4.1662 17.4221 3.1370 5.6327 11.3662 5.8592 0.1629 0.8299 2.7018 0.4054 43.2443 6.0946 12.0218 6.4921 3.7934 5.2630 9.3896 18.1833 2.7229 8.4446 13.7995 25.9058 33.4088 4.3993 18.6354 16.4843 0.6164 21.6344 150.1708 15.8037 79.0810 59.9212 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44.7003 153.5549 30.7742 58.9652 28.5486 50.8828 64.3650 40.2870 60.0333 40.5086 49.5459 43.7368 92.7559 85.7287 62.2598 62.8260 20.7088 0.7440 0.7500 0.7499 0.7226 0.7458 0.7497 0.7477 0.7233 0.7294 0.6998 0.6890 0.6974 0.7377 0.7451 0.6048 0.6784 0.6009 0.4557 0.1257 0.6760 0.2401 0.5075 0.6226 0.5507 0.3902 0.6169 0.4411 0.6225 0.3220 0.4857 0.0760 0.0732 0.4294 0.4769 0.3373 0.6375 0.5797 0.6144 0.7239 0.7196 0.5680 0.7488 0.6626 0.6390 0.5183 0.7138 0.6114 0.4825 0.3719 0.4196 0.5213 0.2815 0.7490 0.2768 0.6243 0.0620 0.7178 0.0659 0.7215 0.5466 0.4441 0.0272 0.0453 0.7046 0.0455 0.1847 0.0458 0.6362 0.7188 0.0199 0.6864 0.1950 0.6826 0.3919 0.4379 0.0589 0.3781 0.4341 0.6370 0.6089 0.2654 0.0674 0.6227 0.7371 0.6990 0.6068 0.7329 0.3072 0.6985 0.7189 0.5097 0.6527 0.7376 0.6646 0.6934 0.5974 0.0843 0.7309 0.6020 0.4318 0.1227 0.7225 0.7478 0.6134 0.7492 0.7197 0.1873 0.3410 0.1021 0.6675 0.7259 0.5508 0.7499 0.4530 0.7069 0.7119 0.3499 0.3982 0.0617 0.5007 0.6895 0.6248 0.5944 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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 6 6 1 6 6 6 6 6 6 6 9 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 1 6 6 6 7 6 8 6 9 9 9 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 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 18.99840 18.99840 18.99840 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 13788.0592 18942.2815 25441.5526 0.99968 0.00034 0.02515 0.00005 0.99988 -0.01523 -0.02515 0.01522 0.99957 1 0.00628 0.00457 0.00340 0.13089 0.09528 0.07094 16.65 32.88 50.09 50.73 57.53 65.23 71.55 80.72 85.38 112.22 118.06 123.93 141.11 153.15 187.57 211.19 231.58 249.28 260.46 282.45 289.81 328.46 345.75 351.41 385.93 391.13 408.30 421.26 443.01 464.12 476.14 482.74 512.00 530.12 534.79 551.43 575.80 598.15 628.68 654.23 660.60 673.26 677.58 705.80 711.53 721.43 766.01 793.51 798.48 809.14 821.74 844.25 879.89 907.57 964.45 1000.33 1006.38 1023.97 1105.07 1119.62 1148.12 1157.90 1181.45 1196.70 1233.00 1238.69 1246.97 1251.72 1264.54 1314.15 1326.78 1331.65 1346.48 1355.50 1367.47 1384.77 1385.38 1405.92 1429.82 1437.29 1440.92 1461.50 1480.97 1516.00 1540.82 1543.87 1564.45 1571.08 1578.04 1597.57 1603.03 1611.45 1619.17 1627.08 1632.94 1636.92 1685.63 1695.07 1704.80 1734.07 1765.64 1783.84 1797.37 1817.89 1844.71 1846.62 1862.59 1863.82 1896.71 1902.84 1908.99 1915.89 1930.20 1938.08 1957.58 1960.73 1964.80 1993.35 1997.48 2009.38 2015.37 2037.25 2066.49 2078.38 2081.01 2085.74 2087.98 2093.97 2100.86 2112.45 2115.12 2149.80 2158.55 2163.15 2177.89 2191.56 2197.22 2202.41 2206.32 2231.38 2236.41 2242.28 2255.59 2258.73 2271.69 2275.19 2304.66 2345.79 2354.79 2355.90 2359.52 2365.41 2367.38 2368.22 2380.34 2385.91 2389.99 2407.46 2415.22 2429.69 2440.60 2473.25 2576.40 2621.04 2626.25 2742.09 2765.48 2785.99 4599.90 4614.78 4615.28 4623.88 4652.83 4653.16 4663.43 4675.22 4681.63 4689.52 4704.38 4708.28 4711.10 4724.10 4733.00 4736.29 4740.42 4744.11 4746.14 4754.54 4764.83 4780.88 4794.62 4799.75 4815.41 4815.79 4832.54 4845.54 4885.57 4901.23 5269.97 5368.91 5590.96 0.622826 0.654226 0.655171 0.557222 -1805.312482 -1805.281082 -1805.280138 -1805.378086 3.285192D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2020 DUDE C[C@H](Cc1ccc(cc1)F)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)[C@@H]4CCCN4C(=O)C(F)(F)F C39688425 RHF 6-31G(d) (6D,10F) C1 513.248879 |X|Y|Z| 91.006440 75.199138 46.241517 68.145788 26 6 7 22 4 |36.858105| |12.481037|36.858105| |8.930589|17.628839|0.500000| |7.506150|12.378978|0.246004|36.858105| |4.879425|7.431576|0.185574|12.567981|36.858105| |3.929167|5.266971|0.128977|7.545005|13.727070|36.858105| |3.112341|3.986265|0.103806|4.998687|7.864155|13.712046|36.858105| |2.910396|3.751285|0.103585|4.446461|6.878015|8.019885|13.861291|36.858105| |3.216994|4.300431|0.125832|4.997795|7.868574|6.882593|7.910368|13.800265|36.858105| |4.134068|6.031596|0.179572|7.512664|13.659763|7.984926|6.879155|8.020061|13.788395|36.858105| |2.430281|2.998262|0.083592|3.393377|4.646408|5.306408|8.168164|14.316852|8.156084|5.310661|97.533100| |7.706651|13.013134|0.258651|7.764573|6.593281|5.355307|4.205379|3.903959|4.273402|5.476870|7.094356|53.358707| |5.761214|7.727943|0.207960|5.213129|4.920671|4.187997|3.612675|3.543210|3.923143|4.675266|6.712612|19.361079|36.858105| |5.541006|6.782667|0.213986|4.549945|4.211762|3.511008|3.100184|3.143567|3.592093|4.259300|6.079929|11.580140|15.760899|73.516695| |4.096097|4.987623|0.131988|4.002114|4.077386|3.832220|3.512982|3.424552|3.572112|3.900204|6.741131|10.676692|12.465351|14.154546|36.858105| |4.047499|4.566183|0.116212|3.700477|3.619417|3.490013|3.163439|2.997732|3.059260|3.346587|5.970042|9.380596|9.042330|11.446762|17.499866|0.500000| |3.524323|4.418550|0.115275|3.982321|4.460391|4.545885|4.393347|4.206399|4.112481|4.231521|8.287292|8.790269|7.344780|9.389565|12.347358|0.246482|36.858105| |2.813934|3.330815|0.089565|3.056472|3.386417|3.499272|3.575889|3.542018|3.411259|3.341817|7.497259|5.972343|5.103014|7.443975|8.089751|0.190136|13.038128|53.358707| |2.722278|3.109630|0.085249|2.745961|2.912173|2.894717|2.883719|2.898647|2.904723|2.912159|6.163548|5.466269|5.021223|7.823942|8.100631|0.201378|7.907266|17.835370|36.858105| |3.244048|3.766622|0.106007|3.132094|3.240801|3.057813|2.942385|2.995504|3.151420|3.286588|6.167899|6.817214|7.284182|11.733500|12.313352|0.247887|7.844429|11.023035|12.384317|36.858105| |3.044391|3.638824|0.108406|3.088871|3.306989|3.042482|3.004061|3.227164|3.534826|3.585500|6.718398|6.117289|6.206064|11.262871|7.438529|0.152465|6.236155|8.619659|7.533212|12.307972|36.858105| |2.509945|2.865253|0.085403|2.496566|2.641950|2.466832|2.474329|2.671038|2.890962|2.870949|5.763820|4.539978|4.252128|8.069632|4.852805|0.113068|4.310007|6.486888|5.991831|7.442699|12.523729|36.858105| |2.489151|2.730120|0.081175|2.330932|2.377758|2.206016|2.164731|2.285477|2.471261|2.526578|4.886998|4.255769|3.997872|7.982094|4.389136|0.108848|3.637899|5.292331|5.046964|6.489001|7.711354|12.628988|53.358707| |2.212281|2.395883|0.071044|2.083646|2.128109|1.989263|1.967653|2.082325|2.238335|2.264930|4.511576|3.653963|3.301435|6.503017|3.576366|0.090907|3.092885|4.552206|4.204084|4.910156|5.683678|9.143965|25.696929|0.500000| |2.677970|2.922388|0.088710|2.448778|2.461946|2.239964|2.169703|2.294837|2.527726|2.632718|4.846960|4.464749|4.233180|9.020245|4.321199|0.106641|3.491692|4.819856|4.361182|5.898585|7.143941|9.204791|25.657021|0.327490|0.500000| |2.549411|2.734979|0.078805|2.316682|2.324597|2.188386|2.123367|2.182863|2.310082|2.389481|4.639570|4.384140|4.143282|7.930638|4.854991|0.128457|3.835613|5.687845|5.930177|7.456990|6.478154|7.614292|17.239403|0.254573|0.255923|36.858105| |3.117189|3.380779|0.095672|2.763717|2.735494|2.557167|2.426477|2.451097|2.595021|2.750610|5.084410|5.750086|5.881651|10.892459|7.455519|0.199486|5.002901|6.957953|7.418380|12.394870|7.527316|6.476600|10.497343|0.157897|0.198354|12.501943|36.858105| |2.409478|2.827000|0.076794|2.704670|3.076103|3.272534|3.543278|3.586118|3.324940|3.097311|8.039906|4.767134|3.860274|5.915530|5.200664|0.128155|7.582803|19.087079|7.853009|5.419379|5.031983|4.213118|4.594778|0.083859|0.084994|3.481056|3.895000|36.858105| |2.128514|2.440679|0.067111|2.327464|2.599705|2.725869|2.943772|3.027653|2.853638|2.652893|6.970324|3.991377|3.258123|5.203584|4.219344|0.107152|5.305661|11.579227|7.008720|4.766761|4.573474|4.230029|4.618203|0.086477|0.083404|3.484861|3.663438|15.865239|73.516695| |2.361171|2.802409|0.075312|2.817964|3.341760|3.766854|4.376376|4.356241|3.729482|3.332259|10.140496|4.595793|3.480630|5.305223|4.286661|0.107107|6.402933|10.447446|4.978923|4.063488|3.957744|3.335334|3.738229|0.069295|0.071359|2.772700|3.094901|12.449257|14.310351|36.858105| |2.649244|3.226598|0.085391|3.312503|4.068007|4.776894|5.675134|5.379924|4.413310|3.952706|11.773623|5.370696|3.918200|5.793226|4.715118|0.116055|7.611088|10.006269|4.721579|4.132710|4.000091|3.236417|3.670931|0.067371|0.071417|2.720410|3.123217|8.755172|10.430730|17.642104|0.500000| |2.093178|2.403560|0.063842|2.446386|2.814213|3.229853|3.694175|3.514122|2.994001|2.733272|8.304116|3.847164|2.852012|4.411996|3.429078|0.090908|4.640402|7.384724|4.000126|3.253065|3.073926|2.712096|3.172515|0.059869|0.060649|2.400949|2.638233|7.521211|11.292851|12.364714|0.243316|36.858105| |1.896560|2.171717|0.058278|2.260852|2.635385|3.044787|3.635950|3.546372|2.943913|2.606247|8.970300|3.353452|2.453140|3.880182|2.806781|0.073803|3.609612|5.400637|3.134387|2.690345|2.653265|2.395246|2.808995|0.053710|0.054199|2.078385|2.237270|5.155405|8.442267|7.883699|0.180462|12.449422|36.858105| |1.865275|2.155196|0.059017|2.221455|2.615935|2.923788|3.526468|3.705802|3.139298|2.693859|9.872283|3.304898|2.468846|3.971178|2.806179|0.071905|3.561457|5.439258|3.213779|2.785202|2.872540|2.635568|3.010442|0.057844|0.057797|2.171900|2.294714|5.403846|9.318146|7.808960|0.169355|7.962783|12.497408|36.858105| |2.138186|2.532359|0.069695|2.579437|3.102497|3.430631|4.161682|4.513663|3.842667|3.246630|11.684125|3.977499|3.016700|4.781515|3.500970|0.086638|4.703953|7.275355|4.014486|3.469516|3.651531|3.218193|3.548499|0.066938|0.067958|2.536598|2.727118|7.755514|11.906876|13.032283|0.254724|8.073942|8.176090|12.952522|53.358707| |2.210084|2.656496|0.074976|2.681658|3.267826|3.457033|4.167229|4.941616|4.449641|3.611550|12.988084|4.119170|3.181971|5.151149|3.586557|0.085956|4.628766|6.861326|3.987957|3.649822|4.151888|3.654689|3.883210|0.073073|0.074788|2.672768|2.841862|6.515967|10.344067|7.942351|0.195150|5.255265|5.265809|7.533606|19.498378|36.858105| |2.490507|3.066300|0.087957|3.018775|3.700449|3.750474|4.342897|5.253138|5.132305|4.217118|12.402620|4.843177|3.856305|6.231671|4.344812|0.099367|5.615608|7.970047|4.631469|4.465686|5.443211|4.479670|4.554091|0.083668|0.088180|3.070026|3.321803|6.768991|10.149503|7.031843|0.191664|4.553097|4.224380|5.252776|11.596191|15.816295|73.516695| |1.943253|2.291825|0.065485|2.336276|2.804363|2.921221|3.501369|4.249183|3.937387|3.158960|11.963214|3.418036|2.616911|4.376263|2.832140|0.069415|3.394789|4.922943|3.102067|2.922012|3.367404|3.156776|3.437969|0.066361|0.066788|2.324076|2.397943|4.373909|7.599595|5.000580|0.127591|3.976537|4.361297|6.398790|10.558103|12.383473|14.321374|36.858105| |1.962758|2.318005|0.067653|2.335593|2.779773|2.786244|3.238541|4.023682|4.034298|3.241665|10.757004|3.401885|2.637830|4.524587|2.780686|0.067503|3.193985|4.530176|2.975462|2.920743|3.525192|3.380210|3.639964|0.070645|0.071426|2.384376|2.426517|3.788884|6.615692|4.022512|0.106721|3.228250|3.387625|4.469855|7.312770|8.144309|13.143643|14.577215|97.533100| |1.747116|2.017839|0.057343|2.036597|2.375324|2.478538|2.890550|3.323396|3.100162|2.606257|8.951497|3.012986|2.323575|3.912907|2.551172|0.063770|2.997948|4.525008|2.937459|2.690533|3.032798|2.966767|3.278607|0.064363|0.062848|2.234413|2.256724|4.111505|7.694148|4.499907|0.109338|3.856286|4.305358|6.560237|9.103054|8.092986|10.308077|14.425286|20.127626|97.533100| |1.882662|2.214142|0.062797|2.320718|2.821674|3.005808|3.733501|4.598233|4.044369|3.161645|14.407769|3.238603|2.409547|4.013510|2.550311|0.063403|3.049785|4.256418|2.671139|2.546160|2.852122|2.642706|2.977783|0.057575|0.058649|2.040162|2.126912|3.674597|6.231897|4.440035|0.118864|3.753075|4.402496|6.178951|8.859589|8.084020|10.485630|14.453241|20.125237|20.063550|97.533100| |17.556327|8.814902|0.212799|6.869482|4.510417|3.614571|2.901849|2.745491|3.063195|3.930202|5.193758|7.604287|4.492168|8.031449|3.370332|0.091676|2.996044|3.348635|2.382505|2.792795|2.697236|2.279321|3.081368|0.056635|0.067884|2.283381|2.704482|2.156104|3.425216|2.135181|0.066070|1.908603|1.757488|1.736249|2.679970|2.045065|4.059517|1.830404|4.186830|3.707062|4.024662|0.500000| |17.547407|8.791848|0.173912|6.786377|4.552027|3.916073|3.076490|2.790603|2.975156|3.707335|5.279425|9.427669|5.099710|8.226437|3.925157|0.112444|3.460594|3.774750|2.658070|3.070237|2.803030|2.330612|3.144788|0.057373|0.067911|2.412027|2.950767|2.379306|3.728658|2.349053|0.073380|2.119101|1.910344|1.849289|2.858468|2.131604|4.208144|1.868066|4.190291|3.803936|4.093458|0.300993|0.500000| |17.586942|8.831514|0.215780|5.477585|4.045508|3.356399|2.771446|2.644629|2.925689|3.630626|5.071375|9.522117|6.084405|11.314694|4.261336|0.118686|3.465177|3.842464|2.823266|3.454082|3.197148|2.654652|3.680904|0.066375|0.081961|2.799145|3.463528|2.389877|3.791437|2.286166|0.070115|2.025682|1.823894|1.804747|2.817626|2.146842|4.321708|1.890132|4.319465|3.854207|4.073852|0.301294|0.300654|0.500000| |7.053413|8.839088|0.174194|17.529793|8.919026|7.355151|4.788862|4.007458|4.180649|5.579860|7.073757|9.274789|4.621974|7.034591|3.762254|0.100736|3.798440|4.009548|2.634655|2.926045|2.797279|2.292778|2.939946|0.053932|0.062393|2.187389|2.610859|2.615134|4.002755|2.747598|0.089768|2.447806|2.252723|2.165898|3.369793|2.509387|4.914812|2.184577|4.838632|4.338104|4.912665|0.176770|0.209228|0.142384|0.500000| |6.869131|8.926700|0.218178|17.548902|8.857851|5.878437|4.277601|3.970058|4.570375|6.690127|7.011467|7.694350|4.257614|7.069044|3.337887|0.086451|3.282411|3.581501|2.410737|2.739466|2.755985|2.289844|2.939367|0.054195|0.063482|2.123881|2.477479|2.372493|3.699680|2.467588|0.078857|2.170966|2.041864|2.022403|3.146928|2.422395|4.797013|2.166452|4.931120|4.269714|4.881466|0.206017|0.166581|0.141372|0.304816|0.500000| |3.944132|4.949022|0.116060|6.995177|8.913379|17.699410|8.952344|5.692633|4.955781|5.658742|9.620538|6.895195|3.896545|5.781323|3.626138|0.095561|4.225467|4.491276|2.755879|2.869619|2.763858|2.271563|2.813828|0.051969|0.058145|2.087523|2.447880|3.067960|4.575831|3.503391|0.121321|3.142779|2.932802|2.728253|4.238439|3.042109|5.750898|2.590180|5.515002|5.069109|5.988277|0.100284|0.114834|0.092655|0.226716|0.152562|0.500000| |2.746377|3.361225|0.087041|4.071162|5.601429|8.836877|17.734752|8.966279|5.645276|4.956941|16.690790|4.889574|3.152815|4.838059|3.177328|0.081450|4.009774|4.646326|2.738742|2.706477|2.716368|2.284772|2.735768|0.051143|0.055451|1.991159|2.254350|3.492069|5.198184|4.505934|0.160485|4.030180|4.101429|3.790720|5.812015|4.029323|7.068229|3.419366|6.893280|6.489368|8.396886|0.071338|0.076892|0.068722|0.113584|0.098985|0.214224|0.500000| |2.875406|3.704493|0.112016|4.067471|5.600860|4.959534|5.651074|8.958435|17.746825|8.860624|16.705588|4.997964|3.540600|5.995155|3.262976|0.077630|3.659644|4.328962|2.777945|3.017497|3.519484|2.963185|3.410410|0.063603|0.071307|2.289273|2.511789|3.155620|4.944617|3.462035|0.108684|2.789938|2.784478|3.069164|5.074812|4.533847|9.333345|4.264606|10.451787|7.415546|9.796472|0.076961|0.073347|0.074304|0.095899|0.107319|0.107617|0.124660|0.500000| |4.344535|6.270336|0.212666|6.955008|8.886993|5.660681|4.954722|5.692470|8.984039|17.709274|9.628448|7.165128|4.686068|8.123493|3.736844|0.089153|3.803229|4.187049|2.786185|3.236342|3.612807|2.927882|3.557589|0.065096|0.077171|2.432996|2.779220|2.823638|4.388737|2.932346|0.093454|2.432788|2.315851|2.415245|3.918012|3.237493|6.774706|2.903462|6.903704|5.471953|6.438606|0.117846|0.103603|0.107584|0.140047|0.190038|0.124117|0.107586|0.214722|0.500000| |6.238176|9.003899|0.184058|7.458315|6.879228|6.265526|4.762136|4.160433|4.286645|5.276252|7.503915|26.078786|9.452979|10.886227|7.533374|0.194700|7.308855|6.415678|4.073233|4.715003|4.123411|3.110174|3.915531|0.069379|0.081877|3.003487|3.883554|3.765121|5.476133|3.735446|0.125228|3.146344|2.701497|2.601578|4.261049|3.150258|6.455283|2.572760|5.634095|5.104963|5.533123|0.132816|0.175576|0.152945|0.204084|0.146704|0.172331|0.114149|0.099953|0.131660|0.500000| |3.574213|4.390765|0.109104|4.133306|4.576522|4.982908|4.685102|4.157492|3.887607|4.052395|8.109369|8.648086|6.229116|8.034451|8.707867|0.224280|17.576415|12.279200|6.019820|5.703497|4.621145|3.472608|4.159855|0.073857|0.082228|3.271235|4.174273|6.412258|8.240004|6.178335|0.217206|4.886709|3.732584|3.480536|5.977847|4.093928|8.226493|3.089098|6.431718|6.201053|6.458256|0.084048|0.101281|0.095327|0.114813|0.093126|0.135626|0.122282|0.093884|0.099074|0.227514|0.500000| |3.542731|4.677409|0.125746|4.372073|5.311677|5.327359|5.325942|5.354952|5.304165|5.294419|10.169230|8.830912|7.004035|9.349755|8.738143|0.174942|17.622774|12.310094|6.104909|6.494486|6.322142|4.308390|4.780667|0.083614|0.095198|3.498950|4.340034|6.913418|8.804016|6.631486|0.236084|4.516787|3.711654|3.796532|7.136345|5.503313|12.821354|3.903886|8.322784|7.416677|7.882462|0.085096|0.094337|0.094772|0.111379|0.099656|0.128375|0.128308|0.128099|0.127524|0.196899|0.301105|0.500000| |2.638436|2.917657|0.078577|2.578562|2.669606|2.679093|2.633588|2.587578|2.568697|2.608441|5.501234|5.084479|4.517578|7.057795|6.963555|0.206991|6.448646|12.351072|17.523502|8.764145|5.499126|4.736405|6.013503|0.105325|0.107696|5.627692|7.094182|6.244028|10.362643|4.324567|0.114663|3.760638|2.931606|2.908794|4.723812|3.343336|6.615995|2.684979|5.764143|5.812017|5.325139|0.064020|0.072883|0.076514|0.070076|0.063113|0.072538|0.070458|0.067832|0.069449|0.106649|0.154495|0.136847|0.500000| |2.395680|2.712275|0.075570|2.438001|2.607327|2.595642|2.641899|2.711267|2.716742|2.663159|5.922760|4.557025|4.068046|6.673934|5.716381|0.143452|5.823035|12.492567|17.675166|8.576475|7.039923|6.671047|7.257426|0.127708|0.121703|5.973313|6.229597|7.650088|14.738529|4.756835|0.119004|3.879732|3.113356|3.298037|5.541385|4.099744|8.283461|3.250414|7.038971|7.120105|6.151271|0.059321|0.064678|0.068924|0.064757|0.060483|0.068285|0.070265|0.073768|0.071277|0.093497|0.129875|0.139584|0.302794|0.500000| |2.905852|3.560635|0.105152|3.157554|3.546207|3.323823|3.396808|3.754477|4.072644|3.935328|7.911392|5.948193|5.572084|9.410915|6.699721|0.137701|6.900023|9.752606|7.129350|8.722645|17.598279|9.026757|7.644873|0.127180|0.144951|4.880397|5.482633|6.070580|9.448272|4.788807|0.133826|3.504049|3.031754|3.372609|6.145160|5.415573|14.002606|4.145165|9.721696|8.127473|7.652564|0.072120|0.074943|0.082331|0.079218|0.077822|0.082222|0.084915|0.113399|0.106871|0.115391|0.138073|0.215817|0.141742|0.191539|0.500000| |3.413794|4.153987|0.129951|3.400457|3.575658|3.149622|3.035053|3.285159|3.761486|3.967682|6.673633|6.774486|7.127371|14.816752|6.923027|0.143075|5.497650|6.811714|5.522945|8.800233|17.621618|8.947203|9.457377|0.145399|0.210005|5.647681|6.696459|4.090137|6.562850|3.460931|0.100303|2.744120|2.421423|2.601017|4.417713|3.714115|8.568220|3.114745|7.497852|6.223234|6.090961|0.084094|0.084692|0.100636|0.083368|0.084884|0.078721|0.074808|0.104498|0.115674|0.120088|0.118427|0.162268|0.123129|0.140748|0.303737|0.500000| |2.271569|2.568451|0.074976|2.287888|2.439056|2.334310|2.377265|2.548990|2.682231|2.615379|5.613179|4.080029|3.692038|6.701013|4.406519|0.106210|4.147100|6.772263|6.461754|6.616029|8.700356|17.635004|12.424501|0.222732|0.181083|7.012515|5.722301|4.614898|8.801294|3.509099|0.091313|2.880565|2.525426|2.802932|4.624402|3.787532|7.952362|3.265450|7.688131|7.129054|6.056494|0.057456|0.059562|0.066130|0.059219|0.058249|0.060199|0.061982|0.076115|0.072722|0.079757|0.094129|0.112715|0.141277|0.231704|0.213208|0.173221|0.500000| |2.383467|2.727190|0.082748|2.412103|2.574042|2.383092|2.412152|2.660321|2.930521|2.869927|5.800537|4.171755|3.772708|7.295215|4.039284|0.095022|3.724953|5.417228|4.582643|5.442589|8.797766|17.629971|12.348114|0.223456|0.222843|5.585850|4.872857|3.693479|6.616095|3.076437|0.083310|2.515311|2.283194|2.553326|4.203973|3.617291|7.863488|3.260263|8.199473|6.854955|6.113743|0.061095|0.061007|0.069492|0.060999|0.062343|0.060425|0.061619|0.085769|0.082502|0.079104|0.085385|0.107782|0.104575|0.139735|0.213063|0.217797|0.301478|0.500000| |2.302161|2.476434|0.070488|2.150094|2.186831|2.098242|2.065487|2.119765|2.204600|2.240727|4.571166|3.971685|3.626103|6.629163|4.417999|0.118775|3.730378|5.898718|6.410598|6.649390|5.738483|7.028961|12.445511|0.222802|0.181148|17.618947|8.716314|3.711169|6.880841|2.878915|0.076619|2.521638|2.166790|2.268791|3.579567|2.732738|5.474649|2.373716|5.410349|5.228418|4.653184|0.057575|0.061341|0.069000|0.056914|0.054716|0.055804|0.054431|0.060751|0.062520|0.077529|0.089112|0.093647|0.173675|0.197840|0.129185|0.132014|0.213720|0.144388|0.500000| |2.438323|2.543225|0.073238|2.154318|2.126795|1.997224|1.925164|1.968549|2.085361|2.173495|4.184793|3.970102|3.642857|7.113693|4.038198|0.110840|3.231076|4.661234|4.537332|5.447705|4.869057|5.581802|12.357910|0.223984|0.222447|17.624547|8.770738|2.922842|5.211856|2.405372|0.065929|2.128470|1.865318|1.934988|3.019209|2.322873|4.664483|2.058966|4.763237|4.476432|4.123046|0.061208|0.064203|0.075262|0.056811|0.055480|0.053338|0.050312|0.057453|0.061944|0.075323|0.079040|0.082625|0.125778|0.125804|0.107515|0.126875|0.144216|0.126431|0.301115|0.500000| |3.533001|3.763664|0.108458|2.957468|2.846032|2.591364|2.411488|2.436562|2.631718|2.862986|4.984295|6.267506|6.638114|13.993044|6.962602|0.184735|4.551025|5.846435|5.478310|8.851918|6.699510|5.638987|9.428952|0.145028|0.209183|8.903455|17.593318|3.367250|5.562010|2.804905|0.080293|2.401215|2.073194|2.123047|3.413468|2.640105|5.502319|2.261098|5.209199|4.739730|4.570831|0.084533|0.090704|0.113121|0.076741|0.074111|0.068816|0.061556|0.070676|0.082083|0.112192|0.107982|0.113936|0.145264|0.130962|0.137552|0.193565|0.131616|0.126886|0.172944|0.216012|0.500000| |3.016690|3.175287|0.087202|2.629331|2.571377|2.448523|2.312443|2.289897|2.378624|2.523232|4.762617|5.405624|5.186123|9.047189|6.727586|0.212158|4.705216|6.632993|6.970687|8.778627|5.481593|4.876917|7.637287|0.127070|0.144740|8.992061|17.558609|3.725839|6.254304|2.980922|0.083342|2.619664|2.198388|2.209920|3.512338|2.616709|5.291431|2.213773|4.961541|4.735517|4.469880|0.072442|0.081509|0.093026|0.070555|0.065377|0.066361|0.060459|0.063341|0.070001|0.104539|0.114992|0.109565|0.220273|0.158968|0.122854|0.137423|0.128802|0.107514|0.213067|0.212092|0.303417|0.500000| |1.958563|2.214468|0.059194|2.212969|2.487907|2.774959|3.082551|2.985690|2.633952|2.436077|7.030038|3.537748|2.678887|4.204279|3.263993|0.087806|4.212419|7.182790|4.120761|3.221983|3.010740|2.733265|3.218474|0.061222|0.060754|2.462463|2.657191|7.492821|13.047490|8.826414|0.175602|17.599789|8.839724|6.850533|9.020763|4.664214|7.304212|3.672531|6.830168|8.409280|7.594707|0.049663|0.055021|0.053283|0.061414|0.055008|0.075357|0.091287|0.069342|0.061394|0.079064|0.119757|0.110499|0.109913|0.114831|0.093724|0.073632|0.082508|0.069851|0.073271|0.060621|0.066223|0.073974|0.500000| |2.177999|2.481763|0.064762|2.545134|2.892059|3.392046|3.783890|3.422479|2.906097|2.720475|7.800875|3.992999|2.893217|4.414818|3.464058|0.094426|4.668785|6.966449|3.813800|3.158016|2.897100|2.526807|3.021209|0.056809|0.058261|2.321551|2.596994|6.175899|9.080133|8.710615|0.221740|17.595361|8.673715|5.677794|7.950252|4.272760|6.958118|3.342570|6.329127|7.188928|7.276417|0.054906|0.062149|0.058188|0.072130|0.062270|0.094636|0.116964|0.073850|0.066954|0.092782|0.147117|0.122297|0.103036|0.099163|0.089573|0.072937|0.073456|0.064805|0.067135|0.057666|0.066173|0.072800|0.301250|0.500000| |1.728046|1.946297|0.052248|2.019400|2.306821|2.633297|3.062664|2.977256|2.529947|2.274251|7.456759|2.973485|2.178210|3.483634|2.474650|0.066114|3.065983|4.607925|2.791683|2.398559|2.350996|2.166223|2.580798|0.049805|0.049752|1.919850|2.042664|4.250006|7.349384|5.647171|0.133726|8.703367|17.601261|8.747475|7.904729|4.182008|6.154119|3.702210|6.661508|8.604970|8.464473|0.044712|0.048541|0.046344|0.056245|0.051153|0.071528|0.095525|0.067087|0.056883|0.066079|0.088314|0.085993|0.074048|0.077833|0.073163|0.059841|0.063779|0.057482|0.055908|0.048301|0.052622|0.056239|0.218128|0.196118|0.500000| |1.955095|2.250270|0.060004|2.398314|2.840289|3.387737|4.193602|3.970125|3.162880|2.775864|10.168557|3.434116|2.454131|3.864730|2.741211|0.072039|3.522875|4.967704|2.887593|2.559669|2.532714|2.257798|2.667001|0.050856|0.052057|1.966685|2.137577|4.448047|7.034102|6.759351|0.179812|8.793393|17.558337|8.857816|9.427979|4.891895|7.165959|4.137861|7.360705|8.758451|9.974039|0.050520|0.054885|0.051643|0.066779|0.060140|0.090904|0.138781|0.081690|0.067471|0.077553|0.103524|0.102725|0.075176|0.078174|0.080113|0.065405|0.064953|0.060185|0.056214|0.049314|0.055772|0.058274|0.173949|0.216182|0.301474|0.500000| |1.740943|1.986611|0.054676|2.016887|2.325465|2.543057|2.965502|3.117608|2.745586|2.401655|8.075065|3.042503|2.308383|3.759627|2.642955|0.068263|3.253484|5.155494|3.172124|2.702321|2.786823|2.636840|3.019062|0.058627|0.057368|2.179776|2.258323|5.162663|9.852590|6.370336|0.136413|6.761431|8.781319|17.596430|12.336259|6.364198|8.318355|5.840714|9.552171|15.622074|11.876097|0.045075|0.047895|0.047230|0.054618|0.051330|0.066485|0.086951|0.075661|0.060923|0.065808|0.087192|0.094027|0.080294|0.093230|0.089705|0.069368|0.079568|0.070932|0.064147|0.053993|0.057554|0.060564|0.189980|0.137009|0.217755|0.174107|0.500000| 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