Version2.4 2021-06-11T10:34:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)[NH+](Cc1ccc(cc1)F)Cc2ccc(o2)C(=O)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-] C35226683 RHF 6-31G(d) (6D,7F) CC(C)(C)[NH+](Cc1ccc(cc1)F)Cc2ccc(o2)C(=O)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-] C01[X(C27H32F1N4O4)] 198 C1 604 Fc1ccc(cc1)C[NH+](C(C)(C)C)Cc1ccc(o1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] Fc1ccc(cc1)C[NH+](C(C)(C)C)Cc1ccc(o1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] CC(C)(C)[NH+](Cc1oc(cc1)C(=O)N2CCN(CC2)c3ccc(cc3)[N+]([O-])=O)Cc4ccc(F)cc4 InChIKey=SCZSILNXHJVALB-UHFFFAOYSA-O InChI=1S/C27H31FN4O4/c1-27(2,3)31(18-20-4-6-21(28)7-5-20)19-24-12-13-25(36-24)26(33)30-16-14-29(15-17-30)22-8-10-23(11-9-22)32(34)35/h4-13H,14-19H2,1-3H3/p+1 InChI=1/C27H31FN4O4/c1-27(2,3)31(18-20-4-6-21(28)7-5-20)19-24-12-13-25(36-24)26(33)30-16-14-29(15-17-30)22-8-10-23(11-9-22)32(34)35/h4-13H,14-19H2,1-3H3/p+1/fC27H32FN4O4/h31H/q+1 CC(C)(C)[NH+](Cc1ccc(cc1)F)Cc2ccc(o2)C(=O)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-] C01[X(C27H32F1N4O4)] 198 C01 604 Fc1ccc(cc1)C[NH+](C(C)(C)C)Cc1ccc(o1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] O=C(C1=[CH][CH]=C(O1)C[NH](C(C)(C)C)C[C]1[CH][CH][C]([CH][CH]1)F)N1CC[N@](CC1)[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O] CC(C)(C)[NH](C[C]1[CH][CH][C](F)[CH][CH]1)Cc2oc(cc2)C(=O)N3CCN(CC3)[C]4[CH][CH][C]([CH][CH]4)N([O])[O] InChIKey=ZOLNQVANCQWBGD-UHFFFAOYSA-N InChI=1S/C27H32FN4O4/c1-27(2,3)31(18-20-4-6-21(28)7-5-20)19-24-12-13-25(36-24)26(33)30-16-14-29(15-17-30)22-8-10-23(11-9-22)32(34)35/h4-13,31H,14-19H2,1-3H3 InChI=1/C27H32FN4O4/c1-27(2,3)31(18-20-4-6-21(28)7-5-20)19-24-12-13-25(36-24)26(33)30-16-14-29(15-17-30)22-8-10-23(11-9-22)32(34)35/h4-13,31H,14-19H2,1-3H3 3753.6600356990 -1657.4071249 1-A 30144.2453 131 473 604 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921.7658 927.1936 934.4935 937.6465 939.9613 941.9468 954.7831 963.5256 968.7403 969.1181 1005.8228 1012.3808 1020.2188 1024.4802 1029.4547 1043.4862 1065.4963 1066.6519 1073.0662 1077.2783 1086.7407 1101.2967 1107.2971 1110.4962 1111.5065 1113.6758 1117.2492 1120.2604 1142.0023 1144.4263 1162.3178 1172.3982 1177.7139 1199.2298 1216.1668 1223.2735 1248.5860 1281.3413 1287.9534 1289.1212 1292.1356 1309.7985 1315.3303 1318.7307 1319.9089 1334.9027 1337.9756 1343.4409 1359.6377 1360.9571 1372.2409 1383.0055 1396.2209 1405.4989 1412.3735 1426.1443 1438.2095 1458.8990 1460.7493 1494.5314 1503.2888 1506.8242 1522.3915 1531.7276 1537.0442 1550.2909 1571.5137 1573.2192 1575.9714 1577.4875 1578.7394 1579.4410 1589.9685 1607.2776 1607.5507 1620.4799 1625.9140 1627.5117 1632.1059 1636.2429 1643.7514 1645.7853 1649.6671 1650.9385 1654.7361 1659.5585 1660.8983 1673.1697 1685.6646 1701.8709 1751.6306 1767.4275 1787.5976 1802.3861 1817.6203 1831.1918 1866.2574 1926.8721 3147.1091 3164.4200 3224.0455 3232.8836 3236.8856 3243.0225 3243.1782 3290.0478 3296.6169 3300.7337 3304.4535 3306.3838 3308.4252 3309.3784 3315.7135 3324.5987 3334.0005 3339.5839 3358.4471 3367.5796 3375.3593 3377.8191 3385.1760 3389.0366 3408.9839 3411.8826 3412.0377 3437.3999 3437.7619 3442.6854 3470.7583 3699.1975 7.3072 7.4293 5.5525 5.4073 5.5014 6.2013 5.2312 3.5851 4.0347 5.5121 5.3880 4.9057 4.0017 5.3652 4.6890 5.3869 5.8062 4.9925 5.8439 1.3488 4.3037 3.6466 3.9967 2.4527 1.4961 2.6399 2.2976 1.9297 2.4556 2.7951 2.7541 2.5580 4.1226 2.8327 2.9598 2.3408 3.1438 2.5395 4.0953 3.8856 3.0665 3.0488 3.5875 3.5587 3.0073 2.9365 4.8750 2.6851 3.6276 3.4371 4.6045 3.3327 3.7323 6.7784 4.1391 6.1278 5.5183 4.1633 2.8893 4.8683 3.7557 3.2005 4.4779 3.9343 4.0135 6.0606 6.2276 2.4393 3.8235 2.2641 1.7097 1.2862 1.6846 2.1461 1.4400 5.3267 2.1475 2.0369 3.4739 1.8010 1.8671 1.6005 1.8703 2.5948 3.0233 1.2501 3.0007 1.9033 1.8877 1.3619 2.6248 2.2589 1.3764 1.7028 1.4117 2.2880 2.1125 2.1394 1.6359 1.5814 1.7179 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7.3404 7.3354 7.4726 7.3868 7.4696 7.5178 7.5171 7.6236 7.6229 7.6761 7.8178 8.6909 0.1579 0.5141 0.5528 0.7246 0.6390 0.5764 6.9952 1.1944 1.0265 1.9549 0.2325 3.4532 0.1725 2.7508 1.2197 0.7414 0.0419 0.6255 0.7292 0.3281 3.0697 2.4938 1.6077 3.9413 3.0854 5.7829 3.3715 6.6778 0.5003 0.9818 2.9292 4.2416 4.3631 2.5063 9.1780 3.0238 2.5444 5.7215 3.3389 5.0927 1.2917 0.6878 7.0031 3.2722 7.4825 2.2266 5.6364 6.8953 4.6836 7.6765 7.4314 12.1743 3.6264 0.4574 5.1598 1.5426 1.9588 12.8909 29.8903 14.3198 2.4228 13.6192 5.2459 7.4600 16.5582 32.1730 42.1503 18.4809 21.7134 23.9025 6.6977 0.9990 16.8235 53.2848 76.1993 39.6302 6.5790 63.6999 28.6458 5.9268 9.9290 2.8058 23.9597 16.6614 54.2684 4.4279 10.5490 12.8238 9.3655 0.6697 4.1179 5.4408 0.6067 50.9158 0.6715 59.5476 7.0688 19.5362 3.8351 6.6124 9.5499 4.5325 3.0564 1.0975 80.4215 40.2874 9.3218 15.0677 12.8208 28.4183 51.7953 33.6647 45.4346 42.1296 28.8247 5.7386 182.5958 18.2123 44.1915 7.4394 43.9765 136.8538 141.2718 8.7693 104.6516 3.0032 1.4268 82.7533 1.7134 2.6551 9.8558 8.5027 17.5099 14.3087 60.6069 46.5975 6.3457 151.3460 54.1539 17.5633 40.2514 10.7428 425.3148 12.7662 3.4422 0.7740 11.4139 504.5118 4.5698 3.5145 14.9312 0.7110 12.3940 5.5814 13.1246 48.2402 24.5119 104.2680 26.1300 44.9823 7.7773 170.6262 96.0717 16.8020 441.5557 407.3566 37.0566 39.2283 12.1984 7.5584 9.5061 47.3696 6.7010 26.3314 5.7327 9.8517 20.3534 10.1427 2.8964 7.6944 28.5720 15.9950 16.3581 28.5071 2.2851 1.6063 12.1686 6.5886 3.1375 11.7441 7.1702 0.3936 0.0497 2.0597 1.2734 0.9572 4.2650 32.4739 1.0380 0.7873 3.2669 2.9968 0.5751 4.3957 1.9602 3.5148 3.1406 0.4407 0.7452 1.3919 1.9358 0.5535 1.6654 0.4895 0.3503 1.0754 1.1469 0.3142 3.4681 0.7578 2.2542 2.5725 0.7610 0.6860 1.6366 0.9287 1.0133 1.3581 2.1568 1.1555 2.2927 0.3386 0.7840 0.8847 1.0581 0.6066 1.5979 0.3361 1.1422 0.0323 0.4288 1.0196 2.1277 1.5393 0.5382 3.8213 0.3517 2.6007 1.0156 0.9867 0.6541 6.9793 0.8204 8.4990 4.7966 2.7497 3.5451 8.5240 0.6491 0.6468 11.4899 2.8617 1.5085 5.8550 6.4562 6.9125 33.3171 12.0096 1.9110 1.3241 3.6891 3.1016 5.9412 10.7924 4.8838 1.2556 7.7831 5.5908 3.9932 2.8049 12.8719 2.1395 4.2632 0.6980 6.1211 3.2641 4.6230 0.2698 4.7978 2.5345 3.7624 9.0860 0.2032 4.4358 37.6985 8.8062 5.6001 5.9624 0.9397 0.9824 0.5320 3.0105 87.4804 2.5149 1.5727 5.1624 5.0015 1.6858 15.3269 1.0483 5.5627 7.7314 10.8046 8.0911 33.3261 4.0407 13.7487 6.6873 10.9100 8.1281 7.6073 4.4176 4.4534 1.1173 0.1916 33.0807 8.7462 2.9221 4.1555 5.3777 0.9095 14.8503 6.2645 4.1993 3.6082 4.4274 7.6407 3.0295 5.0608 1.4671 6.6145 14.7656 15.9666 3.5338 13.4235 289.1478 25.4011 9.2142 7.5244 2.4408 14.4268 12.4448 7.4220 5.6021 17.9821 1.1869 264.0027 2.2990 8.2352 287.6903 27.1721 27.3060 0.8069 31.3969 33.8505 62.2369 28.8046 55.2053 11.6682 74.8116 174.7870 80.0131 29.1787 48.7820 50.0132 29.5491 27.2225 31.2108 198.1629 78.2534 44.2270 81.1997 51.6331 10.0596 67.4373 86.6722 40.2117 56.2153 40.9667 184.6703 53.4187 86.9215 68.6769 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66 67 68 6 6 6 6 7 1 6 6 6 6 6 6 6 9 6 6 6 6 6 8 6 8 7 6 6 7 6 6 6 6 6 6 6 6 7 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 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 8416.6848 50277.2637 53943.1583 0.99989 0.01485 0.00118 -0.01488 0.99956 0.02557 -0.00080 -0.02559 0.99967 1 0.01029 0.00172 0.00161 0.21442 0.03590 0.03346 11.11 17.21 27.94 33.62 43.85 56.05 64.06 76.55 87.73 92.26 98.45 110.41 131.34 141.85 159.58 230.22 252.51 283.06 292.28 309.01 339.66 352.81 375.52 383.62 396.34 420.00 456.78 461.12 474.58 491.23 521.18 528.43 547.07 568.72 584.30 610.14 624.64 637.74 648.02 660.98 668.42 670.04 707.70 714.94 732.86 739.35 764.86 786.18 827.65 828.55 849.50 873.90 879.84 996.58 1000.74 1005.26 1032.23 1035.80 1049.68 1075.72 1120.35 1134.60 1181.79 1207.65 1216.09 1226.06 1240.68 1304.88 1326.22 1334.02 1344.53 1349.06 1352.39 1355.25 1373.72 1386.30 1393.80 1394.34 1447.15 1456.59 1467.87 1474.00 1481.16 1501.34 1533.01 1534.67 1543.90 1549.96 1563.58 1584.52 1593.15 1597.76 1599.21 1602.33 1607.47 1611.80 1643.09 1646.57 1672.32 1686.82 1694.47 1725.42 1749.79 1760.02 1796.44 1843.56 1853.08 1854.76 1859.09 1884.51 1892.47 1897.36 1899.05 1920.63 1925.05 1932.91 1956.22 1958.11 1974.35 1989.84 2008.85 2022.20 2032.09 2051.90 2069.26 2099.03 2101.69 2150.30 2162.90 2167.98 2190.38 2203.81 2211.46 2230.52 2261.06 2263.51 2267.47 2269.65 2271.45 2272.46 2287.61 2312.51 2312.91 2331.51 2339.33 2341.63 2348.24 2354.19 2364.99 2367.92 2373.50 2375.33 2380.80 2387.73 2389.66 2407.32 2425.30 2448.61 2520.21 2542.93 2571.95 2593.23 2615.15 2634.68 2685.13 2772.34 4527.99 4552.89 4638.68 4651.40 4657.16 4665.99 4666.21 4733.65 4743.10 4749.02 4754.37 4757.15 4760.09 4761.46 4770.57 4783.36 4796.88 4804.92 4832.06 4845.20 4856.39 4859.93 4870.51 4876.07 4904.77 4908.94 4909.16 4945.65 4946.17 4953.26 4993.65 5322.32 0.610309 0.641168 0.642112 0.542206 -1656.796816 -1656.765957 -1656.765012 -1656.864919 3.350897D-04 MUNgauss RevisionA2.1 retrievium 11-Jun-2021 DUDE CC(C)(C)[NH+](Cc1ccc(cc1)F)Cc2ccc(o2)C(=O)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-] C35226683 RHF 6-31G(d) (6D,10F) C1 495.240759 |X|Y|Z| 58.874091 38.333163 158.771146 71.027002 27 6 7 8 23 3 1 |36.858105| |12.445437|36.858105| |7.567589|12.463125|36.858105| |7.665538|12.412460|7.532396|36.858105| |7.582267|12.246570|7.549852|7.639671|53.358707| |7.018915|9.269003|5.694396|7.561109|25.716590|0.500000| |6.440068|7.262115|5.884467|4.891436|16.951559|0.258480|36.858105| |5.815940|5.428693|4.285187|4.132139|10.166677|0.213110|12.610992|36.858105| |5.504270|4.556563|3.819125|3.540519|7.139068|0.145313|7.561140|13.709442|36.858105| |4.249785|3.553858|3.027391|2.975932|5.388777|0.114717|5.017085|7.892795|13.769684|36.858105| |3.679587|3.237866|2.721453|2.837972|5.066270|0.112938|4.461908|6.902408|8.019796|13.818014|36.858105| |3.741582|3.485352|2.858609|3.097734|5.821354|0.136032|5.015557|7.887246|6.867783|7.893185|13.798027|36.858105| |4.510417|4.407416|3.494232|3.741849|8.222699|0.197070|7.551817|13.670000|7.954193|6.870038|8.021175|13.788006|36.858105| |3.018936|2.677808|2.304880|2.424218|4.051585|0.089642|3.409324|4.671302|5.326466|8.196129|14.451525|8.193424|5.328270|97.533100| |4.904112|7.423884|6.406384|6.237196|17.125257|0.260185|7.643574|5.148262|3.876493|3.127388|3.038017|3.522817|4.707077|5.680970|36.858105| |3.845630|4.984904|4.290304|4.621999|10.503397|0.213185|6.202735|4.890304|3.621037|3.051081|3.112127|3.790826|5.079338|5.860462|12.819263|36.858105| |3.129579|3.793279|3.472636|3.497099|7.225156|0.144824|5.088272|4.267723|3.283047|2.840444|2.932102|3.555474|4.553279|5.616086|7.316433|14.211176|36.858105| |2.764192|3.208044|2.870406|3.095997|5.775906|0.124653|4.061464|3.776935|2.980262|2.695752|2.897343|3.602561|4.366663|5.671360|5.154918|8.593436|13.255188|36.858105| |2.995756|3.486172|2.979488|3.512260|6.259703|0.145161|4.099564|3.919209|3.062536|2.789206|3.043965|3.868411|4.692665|5.946206|5.358283|8.754785|8.576796|14.213712|36.858105| |3.703499|4.580378|3.727649|4.665799|8.817136|0.214444|5.084314|4.559419|3.435234|3.010172|3.187696|4.002510|5.180791|6.074101|7.950813|14.111671|8.610581|8.612810|14.055711|73.516695| |2.664760|2.965785|2.530064|3.086092|4.963098|0.117120|3.304870|3.353424|2.741056|2.601700|2.922096|3.697763|4.112267|5.901535|3.918545|5.291219|5.153547|7.430196|12.709202|13.665249|36.858105| |2.421881|2.618194|2.266212|2.659371|4.328972|0.100295|3.033649|3.184747|2.658743|2.590048|2.978575|3.786102|3.991187|6.140452|3.322901|4.325346|4.483533|6.448373|8.265553|9.846615|15.874650|73.516695| |2.620292|2.913869|2.472912|3.189254|4.639145|0.110035|2.975143|2.994894|2.508124|2.389577|2.647496|3.235946|3.533212|5.420725|3.618480|4.500838|4.119989|5.182314|7.767946|11.517517|14.099458|14.996341|53.358707| |2.306247|2.476619|2.128304|2.705735|3.797395|0.088729|2.507515|2.590570|2.246004|2.198839|2.461886|2.938048|3.040893|5.198564|2.862972|3.369482|3.170566|3.849518|5.019802|7.797826|7.877529|12.336436|17.752450|36.858105| |1.988647|2.145027|1.896969|2.342081|3.230146|0.073167|2.150587|2.180649|1.921227|1.878437|2.067755|2.401736|2.485068|4.413931|2.492192|2.892243|2.799449|3.362106|4.073526|6.328981|5.653611|9.351278|10.540383|12.511607|36.858105| |1.998369|2.190677|1.954035|2.450228|3.240514|0.072637|2.110362|2.090356|1.842693|1.777149|1.918577|2.200882|2.322204|4.062252|2.545893|2.894575|2.749661|3.187566|3.834424|6.268713|4.809562|7.433889|9.144149|7.843986|13.105205|53.358707| |2.181822|2.463341|2.201199|2.774059|3.699962|0.082551|2.358547|2.277894|1.972808|1.867597|1.996524|2.310613|2.511516|4.154321|3.020680|3.508886|3.297731|3.829112|4.706633|7.732842|5.563446|7.911767|10.579525|6.687557|7.907085|17.810319|36.858105| |2.626522|3.013446|2.593458|3.450632|4.645218|0.107432|2.861340|2.761301|2.331321|2.182095|2.344084|2.775807|3.092047|4.786437|3.777349|4.503272|3.974710|4.620810|6.409361|11.094783|7.642536|9.481939|17.792096|7.839108|6.636517|10.588961|12.489194|36.858105| |1.760510|1.916614|1.743387|2.131014|2.787079|0.061366|1.836920|1.813012|1.622691|1.570568|1.680986|1.893800|1.982304|3.592508|2.188941|2.434357|2.346570|2.658101|3.044221|5.047209|3.599985|5.831035|6.126063|5.108416|7.768173|18.375679|7.846932|5.110086|36.858105| |1.722795|1.881267|1.727862|2.120708|2.680340|0.058461|1.751690|1.711414|1.541774|1.484648|1.569830|1.747982|1.839119|3.349915|2.107324|2.282768|2.173520|2.386469|2.701315|4.645070|3.042342|4.882822|5.069673|3.988419|5.137379|10.735513|6.309078|4.454772|13.621271|36.858105| |1.539418|1.667857|1.552627|1.859686|2.356660|0.050864|1.559120|1.523935|1.387512|1.341023|1.411262|1.554008|1.624403|3.031637|1.845802|1.977305|1.903912|2.067157|2.281443|3.928440|2.519851|4.142615|4.018725|3.152176|3.929566|7.034255|4.422379|3.383360|7.888785|13.847968|36.858105| |1.423012|1.530026|1.428510|1.679008|2.177019|0.046904|1.461132|1.438068|1.314958|1.279173|1.351733|1.485577|1.539521|2.923486|1.699183|1.833954|1.793650|1.964817|2.138842|3.618780|2.381184|4.011552|3.706757|2.963342|3.774959|6.204076|3.824307|2.981549|6.879585|8.004392|13.743782|36.858105| |1.440516|1.544738|1.433682|1.679615|2.226338|0.048213|1.505142|1.492519|1.360590|1.329625|1.417079|1.567437|1.615620|3.073118|1.735464|1.902777|1.880137|2.099320|2.287045|3.784082|2.608568|4.468116|4.043156|3.327530|4.491612|6.970113|4.071921|3.139020|7.897062|6.878574|7.906284|13.819699|36.858105| |1.588884|1.711552|1.569966|1.866666|2.496138|0.054599|1.677997|1.668846|1.506296|1.470207|1.578821|1.768435|1.828093|3.407728|1.950205|2.173608|2.141715|2.440360|2.715292|4.418780|3.207585|5.448951|5.128037|4.367074|6.643135|10.539682|5.417991|3.946201|13.686614|7.935449|6.861578|7.988439|13.757711|36.858105| |1.290351|1.379622|1.300313|1.503748|1.948885|0.041680|1.318090|1.296875|1.195694|1.165588|1.225602|1.334493|1.377890|2.662220|1.515385|1.618663|1.590090|1.721150|1.845612|3.143790|2.018926|3.436690|3.069714|2.422057|2.945880|4.603255|2.979664|2.437331|4.511473|5.137863|7.773467|13.106228|7.789293|5.129374|53.358707| |1.269063|1.357684|1.286368|1.486066|1.900642|0.040481|1.281405|1.255192|1.160579|1.128327|1.179536|1.278308|1.323646|2.558436|1.477278|1.560680|1.524408|1.630125|1.745076|3.011444|1.882538|3.182598|2.858339|2.221196|2.624509|4.138491|2.758519|2.297943|3.895517|4.690009|7.087450|8.400628|5.431623|4.095576|21.716175|73.516695| |1.218312|1.296185|1.223646|1.399685|1.837644|0.039253|1.254002|1.239270|1.146412|1.122298|1.182536|1.284771|1.319180|2.580502|1.424632|1.526450|1.512143|1.642207|1.745907|2.950842|1.913075|3.303514|2.864939|2.272855|2.753956|4.125307|2.674744|2.224795|3.894043|4.099075|5.421533|8.396965|7.086270|4.678772|21.726192|16.004774|73.516695| |17.640034|8.702629|6.962262|5.518838|9.092971|0.163911|6.967318|6.349483|6.637971|4.789070|3.884337|3.797254|4.545407|7.085960|4.501260|3.602103|3.037312|2.659134|2.802236|5.983957|2.482237|4.083479|3.260053|2.123270|1.846036|2.504360|2.000116|2.370235|1.632451|1.591549|1.432439|1.334400|1.354992|1.488607|1.655080|2.123677|2.050959|0.500000| |17.587381|8.726391|5.485678|6.890218|9.516399|0.209516|6.072831|6.353061|5.975701|4.804136|4.265033|4.362537|5.173351|7.758898|4.560916|3.825789|3.118715|2.840015|3.152200|6.884208|2.867441|4.646500|3.852847|2.508918|2.122110|2.868525|2.275810|2.776022|1.839424|1.785801|1.587054|1.468978|1.494640|1.658531|1.805306|2.310025|2.227886|0.301028|0.500000| |17.598432|8.943737|6.861511|7.191923|7.532445|0.145512|4.756262|4.394480|4.351182|3.594091|3.153100|3.150799|3.621919|6.044502|4.070931|3.262049|2.710940|2.430086|2.629859|5.660930|2.387433|3.870301|3.255427|2.140518|1.869868|2.581430|2.054732|2.433480|1.688664|1.670374|1.501542|1.384001|1.391230|1.523632|1.716286|2.216097|2.113027|0.304047|0.302465|0.500000| |7.058680|8.935092|17.592415|6.863550|7.504259|0.127309|4.567437|3.639657|3.405207|2.785868|2.498283|2.572669|3.035202|4.848016|4.778602|3.495139|2.912832|2.487734|2.597865|5.630093|2.269990|3.642041|3.068038|1.976715|1.775839|2.501503|2.045664|2.375425|1.655692|1.655771|1.497622|1.375770|1.372607|1.492845|1.713414|2.224535|2.104277|0.178436|0.142177|0.210240|0.500000| |5.479212|8.706875|17.596106|6.890834|9.159093|0.144490|5.134340|3.763110|3.291254|2.678829|2.468947|2.635843|3.210161|4.760155|7.066562|4.571214|3.691202|2.995260|3.078232|6.869593|2.576010|4.061543|3.435787|2.149790|1.938451|2.750530|2.312801|2.706300|1.807903|1.800740|1.617162|1.482168|1.482370|1.621908|1.834658|2.374770|2.248760|0.140248|0.122096|0.141551|0.303614|0.500000| |6.787120|8.714502|17.579461|5.462639|9.334330|0.142651|6.465147|4.540063|4.152651|3.206037|2.809889|2.904031|3.552703|5.321802|5.798844|4.073788|3.438423|2.810189|2.839180|6.137821|2.404045|3.892657|3.138984|1.998641|1.786694|2.477156|2.035622|2.371974|1.630711|1.605962|1.451588|1.346996|1.358170|1.483689|1.675522|2.160025|2.070304|0.204192|0.139836|0.165221|0.303486|0.300612|0.500000| |6.908253|8.733272|5.474468|17.548583|9.603771|0.230393|4.689938|4.266951|3.610485|3.111761|3.052457|3.398394|4.067308|5.868221|5.644391|4.640061|3.504903|3.226608|3.813991|9.075916|3.450306|5.224888|4.963816|3.086571|2.597983|3.671847|3.025623|3.894375|2.303932|2.271752|1.968146|1.773448|1.783628|2.002539|2.144432|2.754461|2.604248|0.139962|0.203939|0.174880|0.139988|0.140780|0.122116|0.500000| |5.507781|8.640308|6.883990|17.615101|9.145724|0.179379|4.398553|3.637331|3.094466|2.634352|2.547183|2.809717|3.382093|4.953553|6.752138|4.934197|3.693301|3.236355|3.659774|8.732120|3.161940|4.767872|4.489721|2.750184|2.421949|3.523174|3.009832|3.732076|2.254923|2.264526|1.977456|1.770419|1.760921|1.957165|2.151681|2.784537|2.602527|0.122091|0.139506|0.145488|0.170984|0.206521|0.140079|0.300526|0.500000| |7.182814|8.907751|6.810821|17.601713|7.554189|0.151139|4.047447|3.551744|3.208528|2.753657|2.598318|2.755907|3.206340|5.086902|4.693143|3.668130|2.924899|2.633435|2.939001|6.577831|2.659764|4.152873|3.778198|2.430650|2.137540|3.056404|2.493920|3.002139|1.986773|2.001692|1.775035|1.601431|1.589989|1.748612|1.967626|2.555585|2.391211|0.145446|0.174663|0.224658|0.203018|0.168754|0.139503|0.302969|0.304540|0.500000| |6.809452|7.221707|6.740631|4.625162|12.240048|0.185645|17.692914|8.837402|7.260825|4.757803|3.991110|4.170713|5.573037|7.063513|6.238014|4.857986|4.171209|3.375115|3.361791|7.189598|2.792998|4.605204|3.494478|2.209246|1.928442|2.596636|2.117153|2.511493|1.684126|1.621604|1.456515|1.365893|1.398885|1.544782|1.689352|2.154920|2.100978|0.233289|0.161708|0.141896|0.144346|0.153498|0.236717|0.117694|0.115000|0.111280|0.500000| |4.773760|5.581113|4.999801|4.164088|12.374676|0.203040|17.670169|8.936450|5.920830|4.333085|4.035716|4.658010|6.840574|7.129609|7.995942|7.244129|6.430706|4.740745|4.473066|9.522800|3.453416|5.670625|4.104523|2.512991|2.177351|2.899137|2.403913|2.887724|1.856116|1.759578|1.567929|1.476146|1.527144|1.704496|1.811890|2.294138|2.256818|0.140410|0.126683|0.105485|0.109424|0.131283|0.153230|0.111252|0.110232|0.096696|0.303819|0.500000| |5.781594|4.621082|4.095004|3.484268|6.717340|0.129015|6.986583|8.886231|17.717549|8.983162|5.694820|4.949521|5.643319|9.653096|3.701222|3.320432|3.017295|2.690739|2.732980|5.478938|2.438327|4.178655|3.077849|2.032021|1.765390|2.331117|1.837405|2.145892|1.522638|1.459471|1.321088|1.250435|1.286354|1.414175|1.555427|1.980263|1.946923|0.217566|0.159672|0.129338|0.102741|0.095660|0.129062|0.095314|0.084539|0.089707|0.222094|0.152185|0.500000| |3.785886|3.132139|2.753965|2.662479|4.544183|0.095069|4.081349|5.613580|8.860510|17.750742|8.959495|5.640660|4.953411|16.739728|2.709576|2.620229|2.463474|2.344524|2.410474|4.586674|2.274613|4.041101|2.880728|1.975540|1.710989|2.211572|1.695615|1.952335|1.450665|1.378281|1.253744|1.198854|1.242742|1.364517|1.495378|1.894962|1.884378|0.119855|0.115842|0.092590|0.071949|0.067775|0.081400|0.076510|0.065808|0.069994|0.112800|0.099937|0.214933|0.500000| |3.192097|3.049413|2.537919|2.818748|5.014653|0.117800|4.080415|5.610552|4.952135|5.640026|8.947357|17.749506|8.869821|16.725518|3.193302|3.557278|3.414558|3.645431|3.970229|6.928056|4.017507|7.657145|4.721125|3.225093|2.599837|3.165277|2.404924|2.872542|1.990160|1.813539|1.608699|1.547211|1.647601|1.871029|1.884974|2.344658|2.377639|0.088233|0.102231|0.076694|0.064015|0.066196|0.070797|0.086735|0.072303|0.070044|0.095808|0.109307|0.107517|0.124533|0.500000| |4.113057|4.339667|3.454208|3.836872|8.558664|0.214225|6.959511|8.851820|5.639729|4.950892|5.699371|9.007777|17.711701|9.663900|5.348836|6.477950|5.747056|5.709579|6.369426|12.370175|5.254897|8.835890|5.805586|3.501694|2.811625|3.555671|2.876842|3.634327|2.192546|2.013112|1.760117|1.664821|1.756116|2.009275|2.011469|2.513798|2.509757|0.111123|0.127684|0.093432|0.082496|0.091032|0.095550|0.117008|0.099412|0.089333|0.140011|0.193815|0.123690|0.107545|0.215753|0.500000| |4.461096|6.390149|6.645549|5.090378|12.266544|0.182765|7.324282|4.738708|3.722011|2.982224|2.836324|3.197460|4.162682|5.344706|17.671786|8.970209|6.794032|4.608988|4.430617|10.238172|3.338685|5.207265|4.170654|2.496324|2.222391|3.086739|2.659436|3.182536|1.988018|1.923517|1.708361|1.583345|1.613796|1.793909|1.939907|2.476422|2.391735|0.120169|0.111380|0.105018|0.134934|0.214849|0.182117|0.124321|0.151932|0.114275|0.184196|0.233171|0.102041|0.072813|0.080269|0.126262|0.500000| |4.682204|7.347094|6.516078|7.412484|12.278364|0.213130|5.598968|4.176117|3.326290|2.764855|2.698092|3.077979|3.908366|5.157191|17.707071|9.011385|5.790910|4.498241|4.879485|12.724385|3.745703|5.553642|4.957813|2.884506|2.541686|3.632081|3.217424|4.032124|2.299680|2.249455|1.960848|1.781862|1.800733|2.019551|2.157812|2.762974|2.629581|0.114664|0.120123|0.113323|0.140029|0.218597|0.149644|0.176537|0.263558|0.150190|0.137330|0.153973|0.089409|0.067755|0.078999|0.121439|0.302058|0.500000| |2.923616|3.499627|3.371348|3.148481|6.389800|0.121991|4.807822|3.952019|3.142242|2.709321|2.741624|3.218804|4.023696|5.290115|6.294630|8.815754|17.788995|8.457375|5.845566|10.430599|4.049518|6.573513|4.572310|2.703807|2.445955|3.284072|2.842304|3.283741|2.108330|1.971926|1.753658|1.662210|1.735384|1.948938|2.027541|2.547542|2.529261|0.080674|0.079394|0.070965|0.078709|0.100308|0.095517|0.085559|0.092138|0.074749|0.114755|0.176015|0.081971|0.066098|0.085083|0.132143|0.187269|0.140225|0.500000| |2.415522|2.730674|2.491760|2.638362|4.714957|0.100695|3.432742|3.287646|2.687813|2.488166|2.695236|3.296694|3.797849|5.392301|4.039340|5.851857|8.443274|17.818450|8.856491|10.446227|6.501137|11.468202|6.262471|3.634765|3.286523|4.153290|3.564605|4.035319|2.592110|2.302080|2.016908|1.947468|2.104755|2.439199|2.331537|2.866326|2.931200|0.065292|0.068962|0.059747|0.060958|0.071921|0.068494|0.076152|0.076156|0.063745|0.081554|0.110340|0.067749|0.060844|0.094747|0.131536|0.104691|0.100371|0.193153|0.500000| |2.384678|2.530873|2.152559|2.825633|3.783582|0.089089|2.467483|2.562830|2.246441|2.207092|2.459280|2.891856|2.969999|5.213504|2.785942|3.158350|2.892408|3.355186|4.309736|7.231532|5.976645|9.349707|12.536733|17.566473|8.897813|9.643133|5.875798|7.076494|4.860874|4.005539|3.159646|2.911336|3.180151|4.049964|3.257078|3.945810|3.958759|0.060315|0.072788|0.062057|0.056072|0.059951|0.055695|0.091276|0.078929|0.071222|0.060809|0.067401|0.056621|0.055319|0.087241|0.092791|0.067228|0.078982|0.069175|0.086737|0.500000| |2.243291|2.367137|2.037049|2.520214|3.663366|0.085529|2.489823|2.635848|2.298139|2.288144|2.616349|3.154089|3.167026|5.592984|2.715742|3.211221|3.092466|3.807298|4.810942|7.255385|7.673851|14.553362|12.489355|17.689558|8.849164|7.699770|4.992623|5.689803|4.171117|3.332082|2.750529|2.656792|3.012872|3.835292|3.022465|3.614538|3.768955|0.058050|0.068233|0.057529|0.052502|0.056650|0.053775|0.079394|0.070086|0.063109|0.060800|0.069535|0.057221|0.057012|0.099349|0.100925|0.066463|0.074349|0.073830|0.102424|0.300504|0.500000| |1.850116|1.964388|1.744877|2.138672|2.914498|0.065710|1.961660|2.009295|1.798078|1.778139|1.960301|2.244123|2.277829|4.245391|2.211947|2.511761|2.434923|2.859775|3.366158|5.361824|4.452317|7.754755|7.670636|8.933701|17.608784|12.491569|5.706674|4.969721|7.270258|4.935850|3.940670|3.912476|4.781676|6.991303|4.168373|4.792034|5.146218|0.047873|0.054974|0.048689|0.045763|0.049218|0.045802|0.065781|0.060833|0.054957|0.049297|0.054810|0.046018|0.045350|0.067759|0.070216|0.055318|0.062549|0.060034|0.078363|0.218057|0.212068|0.500000| |1.899010|2.054335|1.836799|2.201366|3.132352|0.070192|2.117934|2.141190|1.883407|1.840909|2.028471|2.361923|2.446201|4.332820|2.448780|2.894504|2.894221|3.575014|4.187574|6.212904|5.813176|10.209567|9.386690|8.880087|17.461139|12.216317|7.006183|5.772084|6.616059|4.504425|3.624154|3.617577|4.438650|6.475025|3.905829|4.504304|4.862917|0.049458|0.055900|0.049377|0.047535|0.052335|0.048472|0.066861|0.063413|0.055668|0.052734|0.060416|0.048081|0.046576|0.071289|0.077357|0.061314|0.068548|0.070588|0.100413|0.174255|0.216723|0.300695|0.500000| |2.136693|2.431501|2.204487|2.784079|3.566162|0.078320|2.251200|2.143374|1.871377|1.761458|1.857757|2.118741|2.312100|3.865304|2.935752|3.287194|3.054924|3.386514|4.010852|6.964206|4.378023|6.400637|7.687031|4.991470|5.698967|12.431260|17.631412|8.921595|7.370540|7.213195|4.934770|4.008058|4.010923|4.997353|4.258699|5.264974|4.876883|0.054231|0.061203|0.056518|0.057366|0.065010|0.056194|0.083063|0.085519|0.070301|0.056831|0.063444|0.048931|0.044693|0.060449|0.072490|0.072427|0.089074|0.074449|0.087215|0.131544|0.109540|0.127617|0.142771|0.500000| |2.074149|2.346147|2.126987|2.571883|3.581392|0.078819|2.326403|2.236050|1.932725|1.828084|1.955045|2.267335|2.469562|4.068811|2.980582|3.558519|3.496094|4.191359|4.930214|7.618178|5.700919|8.321894|9.407054|5.811492|7.050832|12.290366|17.436876|8.862660|6.708753|5.312439|4.040153|3.675618|4.025834|5.299839|3.960871|4.741901|4.727739|0.053463|0.059671|0.053970|0.054568|0.062401|0.055261|0.076558|0.077508|0.064103|0.057990|0.067042|0.050028|0.046104|0.065708|0.079107|0.074021|0.086649|0.084084|0.111607|0.134364|0.130291|0.143412|0.207143|0.301982|0.500000| |2.808107|3.344004|2.895962|3.815818|5.278630|0.120161|3.166060|2.948017|2.447317|2.244306|2.376678|2.818052|3.242779|4.782317|4.571127|5.631523|4.796140|5.402573|7.553544|14.150878|7.234557|8.895386|12.372664|5.664358|4.971053|7.683075|8.895786|17.669780|4.196119|3.834908|3.037006|2.691422|2.793856|3.384928|3.062087|3.811982|3.665683|0.070336|0.080983|0.071607|0.072459|0.085631|0.073107|0.116556|0.118703|0.089970|0.076684|0.089979|0.062902|0.055534|0.079391|0.107328|0.104815|0.138606|0.107255|0.124711|0.143701|0.127325|0.109224|0.129806|0.213953|0.217512|0.500000| |2.764875|3.147520|2.665903|3.766217|4.670660|0.109238|2.821954|2.738917|2.338542|2.192473|2.340895|2.735394|3.024344|4.790066|3.656902|4.086805|3.495772|3.854417|5.138876|9.777215|5.866940|7.866930|12.501580|7.022727|5.789965|9.498666|8.876500|17.564181|4.836803|4.476737|3.390114|2.920743|3.000259|3.683671|3.270292|4.078164|3.867623|0.068139|0.081876|0.072020|0.068712|0.076575|0.066780|0.121830|0.112405|0.091857|0.069415|0.077159|0.060026|0.054702|0.077938|0.096260|0.085150|0.110953|0.081792|0.093822|0.209897|0.143672|0.130155|0.132941|0.217547|0.173957|0.301907|0.500000| |1.849705|2.035208|1.862536|2.339093|2.870368|0.062690|1.847028|1.791717|1.609558|1.539920|1.619331|1.802482|1.912532|3.434002|2.259143|2.415468|2.256193|2.440279|2.794968|4.937987|3.091142|4.852052|5.234547|3.969072|4.730986|9.895022|6.572226|4.868051|8.892165|17.742754|8.984471|5.681729|4.957632|5.646409|5.675800|7.182011|6.055527|0.047065|0.053167|0.050011|0.049701|0.054088|0.047634|0.069776|0.070021|0.061423|0.047521|0.051215|0.042414|0.039650|0.051542|0.058118|0.056869|0.068011|0.056614|0.064294|0.114149|0.090851|0.122868|0.113203|0.232341|0.144172|0.116846|0.143237|0.500000| |1.500067|1.624514|1.523310|1.818784|2.268644|0.048669|1.498119|1.457726|1.333618|1.286171|1.344394|1.470162|1.539359|2.887177|1.774089|1.872863|1.794551|1.918483|2.103555|3.678987|2.278301|3.739523|3.591834|2.764076|3.287140|5.699801|3.794562|3.041098|5.619117|8.922322|17.785095|8.930424|5.645479|4.951523|9.770815|14.174484|8.826639|0.038752|0.042746|0.040915|0.041073|0.044150|0.039477|0.053091|0.053860|0.048651|0.039121|0.041715|0.035458|0.033517|0.042003|0.046043|0.045823|0.052664|0.046201|0.051764|0.077975|0.067654|0.091199|0.084575|0.120418|0.096458|0.077479|0.086149|0.215536|0.500000| 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