Version2.1 2021-01-09T00:57:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C C12757443 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C C01[X(C24H33Cl1N3O3S1)] 189 C1 554 C[NH+]([C@@H](c1ccccc1Cl)CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1C)C)C C[NH+]([C@@H](c1ccccc1Cl)CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1C)C)C C[NH+](C)[C@H](CNC(=O)C1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2C)c3ccccc3Cl InChIKey=GISFRQOYTDNVAO-JOCHJYFZSA-O InChI=1S/C24H32ClN3O3S/c1-17-9-10-23(18(2)15-17)32(30,31)28-13-11-19(12-14-28)24(29)26-16-22(27(3)4)20-7-5-6-8-21(20)25/h5-10,15,19,22H,11-14,16H2,1-4H3,(H,26,29)/p+1/t22-/m1/s1 InChI=1/C24H32ClN3O3S/c1-17-9-10-23(18(2)15-17)32(30,31)28-13-11-19(12-14-28)24(29)26-16-22(27(3)4)20-7-5-6-8-21(20)25/h5-10,15,19,22H,11-14,16H2,1-4H3,(H,26,29)/p+1/t22-/m1/s1/fC24H33ClN3O3S/h26-27H/q+1 Cc1ccc(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C C01[X(C24H33Cl1N3O3S1)] 189 C01 554 C[NH+]([C@@H](c1ccccc1Cl)CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1C)C)C C[NH]([C@@H]([C]1[CH][CH][CH][CH][C]1Cl)CN[C]([O])[C@@H]1CCN(CC1)[S@]([O])(=O)[C]1[CH][CH][C]([CH][C]1C)C)C C[C]1[CH][CH][C]([C](C)[CH]1)[S]([O])(=O)N2CCC(CC2)[C]([O])NC[C@H]([C]3[CH][CH][CH][CH][C]3Cl)[NH](C)C InChIKey=NWEJCNJCLSSCHH-JOCHJYFZSA-N InChI=1S/C24H33ClN3O3S/c1-17-9-10-23(18(2)15-17)32(30,31)28-13-11-19(12-14-28)24(29)26-16-22(27(3)4)20-7-5-6-8-21(20)25/h5-10,15,19,22,27H,11-14,16H2,1-4H3,(H,26,29)/t22-/m1/s1 InChI=1/C24H33ClN3O3S/c1-17-9-10-23(18(2)15-17)32(30,31)28-13-11-19(12-14-28)24(29)26-16-22(27(3)4)20-7-5-6-8-21(20)25/h5-10,15,19,22,27H,11-14,16H2,1-4H3,(H,26,29)/t22-/m1/s1/f/h26H 3680.5363946971 -2172.7384659 1-A 24543.9095 127 427 554 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997.2456 1006.2466 1008.0055 1013.8228 1021.9665 1034.4092 1046.1996 1090.7860 1092.0573 1100.6440 1107.3471 1114.9944 1118.7887 1125.1246 1140.1142 1144.2254 1146.7867 1150.8603 1154.2380 1167.5705 1173.8332 1176.3386 1179.0570 1195.7886 1205.2502 1211.5700 1248.6515 1248.7078 1249.5819 1254.1675 1277.9978 1279.9826 1286.9256 1304.8787 1305.8435 1325.9064 1326.3269 1335.1786 1359.4875 1360.6506 1366.8298 1400.3634 1412.4475 1421.4825 1434.3433 1444.0217 1445.4233 1458.2072 1463.9345 1479.7824 1505.7517 1514.4403 1519.4857 1525.9292 1557.3008 1558.8178 1565.6470 1568.3313 1569.5940 1571.6057 1580.7949 1586.5746 1608.0341 1618.0725 1625.4718 1628.2413 1628.4807 1631.0141 1631.3260 1635.8939 1638.1203 1638.6455 1643.9169 1646.7743 1651.9946 1652.3547 1663.5039 1664.2610 1666.7266 1680.9892 1720.1016 1763.0425 1770.7680 1798.4328 1805.0095 1882.9847 3183.6386 3203.5101 3210.9702 3211.3798 3214.6514 3222.0458 3231.8747 3267.4793 3268.4852 3272.5296 3277.6215 3278.0366 3283.4578 3294.1685 3297.0359 3307.2969 3311.5013 3318.1124 3324.5740 3352.0043 3355.8696 3360.5202 3363.9229 3376.3778 3377.8606 3390.8836 3402.9209 3404.7083 3410.4791 3414.9485 3422.3981 3591.8829 3886.5439 5.5874 5.8018 5.7922 5.7786 1.0538 4.1247 3.3535 4.1828 4.3223 2.9146 3.9012 4.6817 4.3546 1.9670 4.6606 1.9142 2.2301 2.5294 4.1370 2.8423 3.7450 3.0532 2.4629 1.3943 2.4831 3.8090 4.9199 3.4935 4.3085 3.5138 3.6351 5.0490 3.5989 2.9085 2.9191 3.3355 3.5476 5.2635 4.8163 3.4465 3.0933 3.5115 2.7223 3.0091 3.2980 2.5248 3.5058 1.3219 3.5490 4.8380 5.7744 4.2244 4.5126 4.6842 4.9932 6.7036 5.5053 3.7764 4.9044 4.4582 3.6100 4.4293 6.0004 1.3755 2.6148 2.6266 1.4805 3.2046 1.2667 2.9859 1.2826 2.7526 1.5284 3.3802 3.4191 1.7803 3.0002 2.2635 1.7361 1.5688 1.3737 1.3427 1.6897 2.1750 4.0544 1.4180 2.1499 1.3565 3.3140 2.2427 1.6842 1.5577 2.2474 2.6020 2.7004 3.1829 2.2639 1.9121 3.0446 3.0537 2.1136 1.6575 2.2417 1.7383 1.4910 2.3577 1.8449 1.4735 2.7427 1.7309 1.6243 1.3376 1.2888 1.5772 1.5561 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1.6604 0.7515 1.6421 0.9150 2.0470 2.1039 1.1223 1.9348 1.5867 1.2199 1.1197 0.9924 0.9835 1.2461 1.6222 3.1051 1.0938 1.6658 1.0586 2.6013 1.8013 1.3673 1.2700 1.8408 2.1921 2.3112 2.7528 2.0797 1.7567 2.8009 2.8300 2.0339 1.6000 2.1874 1.7439 1.4980 2.4421 1.9122 1.5477 2.9866 1.8881 1.7880 1.5455 1.5149 1.8777 1.8863 2.2623 2.2747 1.7157 1.8958 1.7260 1.8694 1.9101 1.8757 1.7976 1.9078 2.8053 1.8591 1.9558 2.0480 1.9256 2.3600 1.6952 2.8423 1.7517 1.6870 1.7062 1.7255 1.7992 1.6576 1.7227 1.7357 2.0825 1.7507 1.9492 1.8408 1.7880 2.6075 2.5879 1.7987 1.7755 3.4635 10.2493 10.0798 9.9484 10.3550 13.7056 6.4173 6.5580 6.5031 6.3074 6.4999 6.5241 6.3775 6.5263 6.9351 6.6092 6.9594 6.6372 6.9818 7.0521 7.0657 7.0694 7.1251 7.1789 7.0772 7.2321 7.3638 7.2630 7.3877 7.3156 7.3408 7.3987 7.4770 7.5504 7.5716 7.5421 7.5483 8.2071 9.6102 0.1651 0.1465 0.7189 1.6402 0.2690 0.6101 0.8479 3.4886 0.8882 2.1905 1.5833 4.0083 1.4476 7.9949 1.8019 6.7269 2.5020 1.9688 1.7395 2.2243 3.4020 0.5830 2.8085 0.3961 2.3634 3.2765 6.0782 5.1000 6.3226 4.9303 28.2917 4.2495 7.6058 0.2132 14.4537 1.3877 1.0221 0.4779 20.9354 2.4300 1.0019 6.4345 1.3248 0.4804 8.5314 18.5878 17.7300 73.4112 2.8170 11.7875 31.6387 14.6736 5.1451 54.2102 1.1811 145.5352 72.2688 14.3739 4.5069 113.2272 3.6913 1.7453 21.9318 43.3510 15.1497 4.9826 0.8474 21.7863 20.5180 3.2391 3.0035 128.2206 15.5869 70.3337 71.6527 12.8647 9.7523 9.1232 14.2957 5.9694 1.0462 0.2406 2.3487 30.4742 21.8614 8.6400 7.0492 31.4048 20.4410 65.4040 5.2609 3.6809 16.0585 19.3264 18.2590 2.8685 67.3969 32.8124 39.4612 91.2346 29.8027 10.7320 49.1394 22.4344 1.2917 16.0515 13.3894 0.7668 15.9635 74.8537 22.8426 30.4709 26.6202 9.6050 11.7127 68.2321 111.9994 15.3933 41.3713 29.9780 31.4530 2.5116 38.7113 7.5257 28.8617 8.7517 140.4433 3.2713 4.5667 1.3846 5.7033 14.1026 24.4733 1.4069 13.3214 0.3865 7.2487 21.7279 3.9556 5.5153 1.6103 23.0187 16.8290 40.5583 29.0182 1.4497 5.8595 21.4375 5.2062 43.5969 342.9559 19.3559 4.4289 11.8294 71.5224 219.9034 28.7091 9.5197 23.4897 26.0351 58.9139 31.0597 21.4581 1.7455 19.7187 8.4721 6.6511 21.8454 36.2021 19.4405 24.8216 17.1836 6.3481 12.5228 3.0753 2.0387 0.2150 16.1266 7.1374 4.3510 12.2067 5.9289 4.3970 1.3365 1.9152 1.2889 1.3481 365.4872 61.6239 0.1844 0.6390 2.1426 4.3291 0.2099 2.2012 0.6217 2.7795 0.9533 0.5774 3.2838 2.0885 1.0632 0.3160 0.8851 0.3304 1.6503 1.3048 1.1538 1.7298 0.6114 0.6849 1.4078 0.0433 0.4463 0.3019 2.9971 0.9849 2.9389 2.1545 2.1038 1.0700 1.4661 1.7030 0.4182 1.8921 1.9845 4.6756 1.0996 1.5874 0.3576 2.6211 0.9702 1.2705 0.5308 1.1789 3.1668 0.6746 2.7259 4.0708 7.3529 1.5683 3.3299 0.8795 8.7189 4.0030 8.3241 17.8127 11.4129 6.1854 5.7340 0.5736 0.6663 1.3428 3.6596 0.9584 1.5164 5.3261 1.4050 5.3342 2.0357 2.5761 1.1326 5.3807 7.4158 0.7683 4.0522 8.2127 2.8573 3.3657 0.4034 0.4094 0.6706 11.6303 20.8640 2.5012 9.6846 2.3799 2.5497 16.2237 3.8789 0.5180 1.1210 2.9962 8.3314 5.7546 3.5739 6.6362 7.1789 1.0305 1.3703 6.9304 9.8384 6.4269 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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 6481.4561 40652.5516 43137.2894 0.99999 0.00449 0.00308 -0.00446 0.99995 -0.00857 -0.00312 0.00856 0.99996 1 0.01336 0.00213 0.00201 0.27845 0.04439 0.04184 8.54 22.07 34.55 37.16 45.47 60.45 77.98 88.67 97.35 124.95 138.21 166.58 181.02 208.63 213.74 220.33 257.44 270.93 280.98 298.39 308.94 319.42 323.47 344.53 372.35 389.45 415.01 421.90 461.66 465.17 486.08 500.78 506.18 545.99 571.75 582.18 613.63 638.62 661.04 693.88 710.95 719.56 725.46 730.76 765.75 777.87 778.83 798.95 828.68 850.77 862.67 882.17 903.02 936.95 1018.66 1071.29 1098.04 1122.74 1135.34 1157.48 1171.08 1196.98 1215.68 1244.70 1276.43 1289.42 1298.47 1340.01 1347.02 1397.79 1434.81 1447.76 1450.30 1458.66 1470.38 1488.28 1505.25 1569.40 1571.23 1583.58 1593.23 1604.23 1609.69 1618.80 1640.37 1646.29 1649.97 1655.83 1660.69 1679.87 1688.88 1692.49 1696.40 1720.47 1734.09 1743.18 1796.53 1796.61 1797.87 1804.47 1838.75 1841.61 1851.60 1877.43 1878.82 1907.68 1908.29 1921.02 1956.00 1957.67 1966.56 2014.81 2032.20 2045.20 2063.70 2077.63 2079.64 2098.03 2106.28 2129.08 2166.44 2178.94 2186.20 2195.47 2240.61 2242.79 2252.62 2256.48 2258.30 2261.19 2274.41 2282.73 2313.60 2328.05 2338.69 2342.68 2343.02 2346.67 2347.11 2353.69 2356.89 2357.65 2365.23 2369.34 2376.85 2377.37 2393.41 2394.50 2398.05 2418.57 2474.84 2536.62 2547.74 2587.54 2597.01 2709.20 4580.55 4609.14 4619.87 4620.46 4625.17 4635.81 4649.95 4701.17 4702.62 4708.44 4715.77 4716.36 4724.16 4739.57 4743.70 4758.46 4764.51 4774.02 4783.32 4822.79 4828.35 4835.04 4839.93 4857.85 4859.99 4878.73 4896.04 4898.62 4906.92 4913.35 4924.07 5167.92 5591.87 0.593200 0.623376 0.624321 0.527349 -2172.145266 -2172.115090 -2172.114145 -2172.211117 3.252457D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE Cc1ccc(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C C12757443 RHF 6-31G(d) (6D,10F) C1 478.193117 |X|Y|Z| 36.125409 51.581731 143.450134 64.417403 23 6 7 16 20 2 1 |36.858105| |12.621732|36.858105| |7.548859|13.760665|36.858105| |5.022421|7.938902|13.761931|36.858105| |4.441550|6.852402|7.926415|13.744444|36.858105| |4.999990|7.804882|6.781130|7.842979|13.564025|36.858105| |7.571597|13.662985|7.973798|6.934776|8.012704|13.761732|36.858105| |3.804700|5.004647|4.409828|4.962651|7.401896|12.600564|7.624931|36.858105| |3.146154|4.190344|4.764959|7.078054|10.768249|6.838006|4.716301|5.948647|388.023441| |2.844144|3.640281|3.877693|5.102958|7.233114|6.016019|4.247232|6.245120|94.690995|73.516695| |2.894407|3.721985|4.527299|6.731374|7.340317|4.877310|3.836522|4.158312|94.492884|13.709520|73.516695| |2.838324|3.629005|3.919398|5.175376|7.044850|5.703346|4.148934|5.625791|81.146362|13.664904|13.399953|53.358707| |2.354892|2.875136|3.033184|3.763367|4.742774|4.217719|3.261478|4.580220|51.326819|12.050763|10.115046|17.668161|36.858105| |2.181093|2.589161|2.659119|3.133664|3.791058|3.610999|2.934312|4.027105|34.168148|8.097603|7.179635|10.620593|12.495155|36.858105| |2.155200|2.531318|2.639312|3.072457|3.527579|3.287828|2.775872|3.427883|29.934385|6.577197|6.779266|8.980000|7.559204|12.410829|36.858105| |2.531792|3.038321|3.210456|3.777556|4.300524|3.913152|3.301158|3.836742|34.165802|6.887000|7.689351|10.615351|6.538919|7.587246|12.383319|36.858105| |2.800227|3.509831|3.910009|5.023183|5.840224|4.708134|3.772574|4.312172|51.380021|8.924033|11.679565|17.714149|7.786607|6.553888|7.565796|12.489494|36.858105| |1.966077|2.244553|2.288653|2.561354|2.874887|2.793996|2.451529|2.956042|22.846700|5.221036|5.225007|6.083246|4.933187|7.583543|12.589276|7.621797|4.946622|36.858105| |2.003421|2.267392|2.258108|2.479897|2.805972|2.830364|2.512898|3.068143|21.446469|4.992483|4.787412|5.551992|4.351263|6.440992|7.965601|6.294096|4.307733|15.650787|73.516695| |1.755581|1.973152|2.028146|2.247182|2.453951|2.361216|2.112272|2.456540|19.458156|4.482573|4.622912|4.866759|3.950620|5.365428|7.799542|5.504022|4.005742|14.168160|15.202485|53.358707| |1.615294|1.781688|1.812242|1.965264|2.116718|2.070592|1.894597|2.153208|16.278858|3.798841|3.883104|3.887831|3.068678|3.923925|4.996196|4.093902|3.146864|7.722044|12.135142|17.901936|36.858105| |1.514444|1.657511|1.663848|1.790346|1.943358|1.936232|1.778722|2.055866|14.868861|3.560848|3.501184|3.481009|2.791209|3.561759|4.070755|3.355298|2.691486|5.881677|10.815206|10.108969|12.325704|36.858105| |1.421068|1.540054|1.544920|1.647466|1.768381|1.763286|1.638994|1.856500|13.379680|3.205300|3.179748|3.065423|2.418927|2.972158|3.365123|2.898080|2.379885|4.525363|8.299991|7.600618|9.031497|17.669543|0.500000| |1.439417|1.581167|1.593032|1.727982|1.886688|1.870558|1.702261|2.005935|14.757465|3.601917|3.482481|3.423490|2.850627|3.623838|3.895996|3.087094|2.573083|5.157572|8.937223|8.590724|7.490935|12.534819|0.248411|36.858105| |1.504899|1.668920|1.678682|1.839230|2.041962|2.029463|1.818813|2.218320|16.283631|4.042939|3.784807|3.822071|3.315710|4.365700|4.349218|3.292423|2.777102|5.513050|9.541881|8.127219|5.761323|7.489658|0.155890|13.657148|36.858105| |1.414503|1.566355|1.580435|1.735268|1.923327|1.903013|1.703268|2.083937|15.530491|3.934958|3.638485|3.544446|3.128635|3.886113|3.676241|2.852577|2.521226|4.186258|7.108411|6.049959|4.199670|4.987914|0.116510|7.864783|13.797428|36.858105| |1.290042|1.416305|1.434109|1.564123|1.708143|1.681913|1.522776|1.814923|13.673227|3.450840|3.261952|3.045337|2.620674|3.102940|3.037031|2.448769|2.198925|3.404198|5.742640|5.128278|3.746039|4.411122|0.110663|6.805486|7.958362|13.742068|36.858105| |1.247181|1.360631|1.378929|1.493502|1.613641|1.587325|1.451458|1.692194|12.733346|3.165350|3.063340|2.831905|2.373522|2.801011|2.869301|2.359193|2.092936|3.312348|5.593371|5.235766|4.111026|4.990908|0.132355|7.861981|6.902738|7.955189|13.796922|36.858105| |1.308650|1.427171|1.443524|1.559070|1.682888|1.659812|1.522144|1.763464|13.146217|3.222785|3.150315|2.969690|2.453928|2.968558|3.159496|2.592301|2.233769|3.868463|6.583029|6.418991|5.541625|7.517180|0.201999|13.689506|7.996105|6.900179|7.956025|13.740863|36.858105| |1.227280|1.324779|1.341196|1.433497|1.524541|1.502289|1.397003|1.572838|11.705611|2.841547|2.837147|2.602628|2.086401|2.450038|2.671970|2.299350|1.993594|3.221658|5.533895|5.365866|4.982250|6.165066|0.208693|6.946276|4.744647|4.227749|4.791360|7.109637|10.908216|448.794386| |1.595057|1.740320|1.719168|1.834046|2.010379|2.048297|1.890718|2.210561|15.080097|3.634793|3.477795|3.532535|2.787300|3.582488|3.923767|3.359714|2.681390|5.620163|12.436698|7.855974|7.429939|12.522017|0.256946|7.534281|6.286979|4.374788|3.724158|3.927514|5.153146|35.268912|53.358707| |1.719295|1.895981|1.868545|2.008888|2.233970|2.286535|2.084255|2.500337|16.854309|4.061468|3.826907|4.044121|3.218306|4.320819|4.675752|3.898634|3.036809|7.059082|18.141699|8.713479|7.043752|9.257675|0.183528|6.804916|6.674878|4.557561|3.686398|3.698443|4.605362|30.338930|25.564550|0.500000| |1.473122|1.593018|1.562509|1.655725|1.814432|1.866695|1.734392|2.036872|13.564468|3.336019|3.125014|3.090919|2.453728|3.048539|3.144153|2.736393|2.286041|4.071882|8.582894|5.605232|4.889172|7.584130|0.193784|6.518860|5.767710|4.360302|3.802032|3.982448|4.984447|34.024951|17.363478|0.254354|36.858105| |1.634271|1.763637|1.732421|1.821454|1.971228|2.020341|1.899875|2.144804|14.387879|3.420686|3.332649|3.328535|2.523629|3.126591|3.514362|3.243200|2.582374|4.808190|10.663134|6.593747|6.285682|7.599497|0.202009|4.938786|4.246666|3.266483|2.905796|3.091110|3.888846|29.789076|17.344926|0.263443|7.827976|36.858105| |17.546050|8.877819|6.034217|4.373534|3.996345|4.547950|6.571082|3.621248|20.850027|4.872731|4.795889|3.546848|2.207603|2.037412|1.985499|2.280780|2.517394|1.817706|3.295800|2.220028|1.505629|1.423897|0.037179|1.363422|1.429942|1.353852|1.237690|1.193025|1.244893|9.362187|2.041117|0.044794|1.398039|1.527599|0.500000| |17.563047|8.849145|5.763652|4.257504|3.980355|4.646463|6.912079|3.729495|20.708731|4.715188|4.707646|3.721803|2.290436|2.168547|2.154288|2.531953|2.717268|1.996608|3.664831|2.420132|1.648984|1.551898|0.040518|1.463939|1.524883|1.424570|1.297564|1.258311|1.326750|10.013090|2.246056|0.049389|1.524720|1.706996|0.302233|0.500000| |17.592534|8.840838|7.213669|4.739952|3.964824|4.151310|5.585328|3.227824|20.748548|4.633289|4.946054|3.596156|2.205299|2.046048|2.052819|2.414793|2.672855|1.876573|3.370714|2.306095|1.564300|1.458398|0.038185|1.383976|1.437366|1.352180|1.240629|1.204963|1.264782|9.584602|2.074125|0.045347|1.404473|1.566856|0.301820|0.301332|0.500000| |6.960896|8.905796|17.724784|8.944709|5.648384|4.904801|5.651480|3.531334|28.106022|5.841172|7.105369|4.546941|2.671883|2.373057|2.393760|2.879002|3.438393|2.101356|3.667358|2.576888|1.706673|1.563689|0.040610|1.495761|1.563295|1.475661|1.350488|1.305615|1.365780|10.273330|2.184285|0.048030|1.461410|1.624909|0.157417|0.147092|0.219260|0.500000| |4.090337|5.648872|8.918397|17.767334|8.952444|5.613546|4.988103|4.054303|48.735610|8.603744|14.384144|6.772913|3.713342|3.051939|3.044540|3.701798|5.065660|2.513380|4.242402|3.049645|1.951120|1.762922|0.045157|1.709583|1.813341|1.719666|1.559988|1.492196|1.552815|11.492492|2.423132|0.053859|1.603941|1.761012|0.101404|0.098178|0.112552|0.215637|0.500000| |7.079493|8.939808|5.671171|4.983071|5.679752|8.988284|17.705009|7.162247|27.634693|6.553771|5.697774|4.880106|2.951180|2.737216|2.574623|2.989191|3.264437|2.333302|4.330586|2.742926|1.831076|1.741577|0.044720|1.664000|1.776355|1.662821|1.487114|1.418250|1.487973|10.978558|2.550268|0.057272|1.735993|1.891623|0.183519|0.202827|0.141851|0.124348|0.108104|0.500000| |3.326392|4.253597|3.931229|4.539813|6.625656|8.830430|5.862438|17.589158|43.879547|11.129712|7.540927|9.453970|5.662924|5.115782|4.168801|4.633958|5.042997|3.529381|6.567863|3.861945|2.442754|2.324880|0.057538|2.263975|2.533865|2.349360|2.012932|1.868488|1.959397|13.864775|3.423918|0.080543|2.287239|2.413009|0.086490|0.092080|0.080686|0.089625|0.107141|0.152871|0.500000| |3.888025|4.812473|3.992882|4.171744|5.533216|8.909175|7.428682|17.597389|31.711576|8.267012|6.014125|5.952802|3.745409|3.492699|3.047761|3.377164|3.607025|2.738922|5.176407|3.126538|2.054760|1.987280|0.050178|1.926371|2.114679|1.981278|1.733163|1.623825|1.696558|12.223113|2.952393|0.067816|2.021602|2.128246|0.104314|0.109775|0.089851|0.090853|0.095880|0.233395|0.301382|0.500000| |3.385570|4.317179|3.956521|4.524426|6.514120|8.860300|5.987359|17.607803|42.497830|13.182924|7.438958|7.077694|4.535438|3.836201|3.177009|3.407694|3.883385|2.732363|4.970977|3.142192|2.024844|1.948942|0.048983|1.934242|2.157674|2.064398|1.802527|1.665686|1.715057|12.224598|2.823974|0.064772|1.935669|1.987336|0.092420|0.090359|0.081167|0.090182|0.106512|0.157417|0.303031|0.300924|0.500000| |2.324642|2.828553|2.929660|3.590705|4.623321|4.281408|3.272629|4.956876|49.590194|14.517688|9.293359|12.471834|17.687863|8.873503|5.514484|4.913739|5.667788|4.098587|6.772015|4.590451|2.726480|2.563944|0.062245|2.658014|3.131223|3.036416|2.543397|2.271150|2.311834|15.742394|3.537381|0.082912|2.351797|2.345630|0.061442|0.062644|0.059906|0.071368|0.096804|0.083304|0.168122|0.111256|0.145412|0.500000| |2.176042|2.621812|2.826942|3.506475|4.170759|3.595104|2.878301|3.733221|45.507914|10.555950|10.507758|12.262422|17.487970|8.826043|6.790310|5.718682|6.986732|4.525155|6.831663|5.268945|2.996325|2.692321|0.065342|2.792825|3.215414|3.104621|2.652084|2.402171|2.453491|16.796500|3.548549|0.081862|2.302608|2.356879|0.056873|0.058382|0.057419|0.070639|0.100111|0.072259|0.120549|0.087033|0.104528|0.302105|0.500000| |2.283939|2.707000|2.702811|3.123654|3.854706|3.887709|3.152661|4.587158|32.393155|7.880162|6.537712|9.559511|8.877337|17.584624|8.856360|6.849393|5.747398|7.031650|12.639696|6.581072|3.760210|3.543728|0.082253|3.522695|4.235692|3.703190|2.944109|2.669923|2.853936|19.033701|5.148051|0.130620|3.245933|3.324344|0.059276|0.063823|0.058779|0.066325|0.082147|0.083154|0.171543|0.112102|0.118087|0.216448|0.173633|0.500000| |1.950696|2.274004|2.329323|2.701990|3.190478|3.064534|2.550246|3.436475|28.477115|7.114842|6.231167|7.683367|8.916971|17.527153|8.784492|5.502698|4.907172|6.838957|10.338564|7.302073|3.972343|3.741602|0.085917|4.050121|5.218563|4.797831|3.665696|3.187386|3.305543|21.103580|4.992377|0.121558|3.190399|3.074045|0.051154|0.053871|0.051067|0.058506|0.073856|0.066956|0.116326|0.084779|0.093811|0.213470|0.216189|0.301456|0.500000| |2.013256|2.349079|2.495226|2.918992|3.257994|2.955002|2.521859|3.012623|28.419893|6.238821|6.846094|7.908914|6.877761|8.874275|17.518196|8.871595|6.888703|8.933679|10.427530|10.401284|4.843848|3.853589|0.090128|3.809766|4.180591|3.661155|3.104763|2.945047|3.196953|21.809112|4.785362|0.111265|2.871716|3.146766|0.051753|0.055396|0.053849|0.063792|0.082618|0.064650|0.098160|0.074454|0.079336|0.140663|0.202462|0.174190|0.214661|0.500000| |2.719193|3.263136|3.321652|3.795964|4.422643|4.292303|3.646640|4.302577|32.400692|6.716999|6.933915|9.559459|5.739876|6.850038|8.844294|17.581285|8.872040|7.060845|12.273243|6.722008|3.914456|3.331964|0.080123|3.007263|3.208000|2.753110|2.351330|2.266505|2.503196|17.887598|4.781078|0.115364|2.863529|3.470992|0.067591|0.076919|0.070979|0.081519|0.099131|0.093049|0.148698|0.107072|0.101974|0.129038|0.132355|0.202507|0.139807|0.174140|0.500000| |2.426219|2.847100|3.040025|3.480487|3.735691|3.391323|2.988716|3.237661|28.473243|5.797538|6.819926|7.679842|4.897928|5.503144|8.768276|17.536546|8.901165|6.888961|10.017354|7.635033|4.290962|3.360610|0.082073|3.011399|3.087793|2.667271|2.342633|2.306923|2.564438|18.748482|4.473133|0.102711|2.647507|3.272116|0.060410|0.067623|0.065403|0.077685|0.096687|0.075563|0.104013|0.081177|0.080598|0.108006|0.128228|0.139833|0.122983|0.214514|0.301594|0.500000| |2.533950|3.105931|3.542528|4.527480|4.907877|3.904213|3.232784|3.580678|45.645476|8.203270|12.431568|12.292812|6.981324|5.721634|6.777602|8.803038|17.523617|4.527984|6.767683|5.333169|3.068154|2.595865|0.064237|2.517588|2.697388|2.487098|2.200705|2.099981|2.222749|15.999348|3.421633|0.077704|2.155094|2.404772|0.063945|0.067678|0.068351|0.089463|0.135930|0.078367|0.111999|0.084707|0.093138|0.143200|0.206942|0.132384|0.128310|0.202133|0.173420|0.215273|0.500000| |3.232983|4.164320|4.806255|6.297133|6.854053|5.278833|4.333488|4.419128|49.446623|8.323656|11.545703|12.443910|5.655039|4.917786|5.520899|8.905779|17.629541|4.115119|6.690204|4.673807|2.823107|2.437511|0.060841|2.301483|2.443407|2.225510|1.967737|1.890487|2.019778|14.734135|3.346784|0.076396|2.115836|2.429015|0.078813|0.086488|0.086202|0.115765|0.173470|0.100926|0.136843|0.103580|0.107560|0.127438|0.142930|0.129087|0.108078|0.140892|0.217053|0.214270|0.302568|0.500000| |1.713961|1.930655|2.011700|2.247453|2.429749|2.292879|2.046186|2.353396|19.635891|4.495060|4.783728|4.853625|3.980034|5.117641|7.456349|5.293301|4.061602|9.446369|10.907564|26.070458|9.092311|5.790696|0.131094|5.465916|5.256043|4.240625|3.718594|3.792301|4.465568|30.481858|6.136007|0.134380|3.466921|3.908756|0.044291|0.047829|0.046212|0.052468|0.063168|0.053785|0.074695|0.060590|0.062037|0.093296|0.113432|0.121783|0.144415|0.244256|0.124908|0.153533|0.115759|0.095685|0.500000| |1.511224|1.658855|1.699766|1.841148|1.959640|1.899123|1.746045|1.955789|15.135206|3.536833|3.676920|3.535504|2.792338|3.427152|4.271757|3.575806|2.869847|5.768442|8.867154|12.720684|17.625541|9.071843|0.231056|6.859425|5.103178|3.985613|3.766630|4.325223|5.875888|46.269064|7.574602|0.142917|4.142150|4.920269|0.039242|0.042656|0.040906|0.044826|0.051266|0.046757|0.060841|0.051769|0.051534|0.069283|0.077630|0.089462|0.097756|0.122173|0.092990|0.105855|0.079781|0.071980|0.239255|0.500000| |1.667637|1.828491|1.853190|1.988814|2.123685|2.088125|1.933696|2.148502|15.956448|3.683013|3.805551|3.785700|2.882159|3.596836|4.616884|4.118244|3.124078|6.837638|11.710418|12.448683|17.622669|8.764166|0.214616|5.479935|4.486081|3.440512|3.109725|3.382035|4.361695|33.982379|9.466531|0.181147|4.575280|7.248779|0.042936|0.047597|0.044978|0.048614|0.054617|0.052024|0.067367|0.057368|0.055513|0.071199|0.077338|0.098076|0.097421|0.121141|0.112314|0.124396|0.083541|0.079665|0.192322|0.305641|0.500000| |1.633779|1.826074|1.826875|2.010342|2.265198|2.270227|2.014181|2.519571|18.084113|4.490087|4.116685|4.359694|3.824021|5.383287|5.159709|3.787566|3.121424|6.781012|12.428256|8.743352|5.722907|6.931208|0.141119|8.887663|17.726331|8.999723|5.671316|4.968356|5.663811|31.317658|9.260365|0.232023|5.885557|4.556793|0.043000|0.046094|0.043075|0.046853|0.054590|0.054680|0.081532|0.066549|0.067547|0.099954|0.099467|0.150454|0.179830|0.129545|0.104437|0.095748|0.082269|0.075544|0.148996|0.132016|0.128365|0.500000| |1.446593|1.609500|1.621499|1.789595|2.003405|1.986861|1.762859|2.204638|16.378912|4.234323|3.800070|3.715014|3.361641|4.116311|3.651818|2.840677|2.567736|3.939393|6.736851|5.378864|3.596734|4.076761|0.096519|5.619367|8.943703|17.736299|8.901748|5.652456|4.967617|27.406809|5.178498|0.113710|3.818870|2.941780|0.038611|0.040338|0.038253|0.041866|0.049151|0.047813|0.069152|0.057966|0.061397|0.093081|0.092225|0.109233|0.146457|0.100242|0.076386|0.072401|0.070110|0.062719|0.105757|0.093944|0.084501|0.217803|0.500000| |1.232606|1.350559|1.369088|1.492412|1.625848|1.598542|1.449149|1.723773|13.048372|3.326498|3.128751|2.853483|2.454473|2.815267|2.707756|2.224000|2.041417|2.928912|4.949554|4.317344|3.111923|3.532646|0.090696|4.918462|5.652795|8.898168|17.737944|8.951182|5.658565|31.811396|4.210876|0.085703|3.192188|2.503040|0.032993|0.034330|0.032952|0.035887|0.041445|0.039324|0.052644|0.045724|0.047981|0.067106|0.069603|0.074135|0.091963|0.077413|0.059286|0.059022|0.057069|0.050997|0.088380|0.087471|0.073765|0.124598|0.213987|0.500000| |1.168576|1.268200|1.287148|1.388184|1.488349|1.461568|1.344798|1.547840|11.684537|2.905346|2.834685|2.559303|2.119707|2.440016|2.505114|2.109169|1.897179|2.829089|4.786532|4.438064|3.503055|4.085435|0.113544|5.625597|4.970654|5.648560|8.909234|17.756977|8.946546|55.020655|4.504669|0.086154|3.389462|2.724023|0.031119|0.032714|0.031465|0.034019|0.038644|0.036521|0.047046|0.041356|0.042432|0.056573|0.059979|0.064669|0.075931|0.071940|0.056270|0.057768|0.053194|0.048021|0.090790|0.104759|0.082619|0.107838|0.124063|0.214989|0.500000| |1.377691|1.478660|1.454421|1.533010|1.661635|1.701119|1.594270|1.833725|12.367240|3.033036|2.882204|2.778368|2.186118|2.649060|2.770284|2.452765|2.074659|3.504928|7.068602|5.014759|4.546423|6.938252|0.209483|5.913280|4.847487|3.872616|3.594201|3.955948|5.028032|37.628576|12.322868|0.179245|17.633728|7.097841|0.036364|0.039597|0.036681|0.038043|0.041436|0.044311|0.056512|0.050617|0.048549|0.058171|0.057728|0.076980|0.076758|0.071796|0.070569|0.067062|0.054898|0.053772|0.088390|0.112361|0.120354|0.129529|0.093421|0.084707|0.096240|0.500000| |1.514662|1.630761|1.582943|1.665604|1.831322|1.910966|1.786705|2.103349|13.499099|3.333698|3.081374|3.054844|2.392632|2.938347|2.973754|2.659286|2.238293|3.741505|8.147604|4.911824|4.089038|5.556138|0.143842|4.859134|4.657136|3.721422|3.238671|3.294609|3.902437|27.510314|12.355492|0.220400|17.655616|7.324684|0.039985|0.043816|0.039927|0.041010|0.044468|0.050151|0.065466|0.058743|0.055261|0.064340|0.061598|0.089191|0.083907|0.074383|0.078994|0.070926|0.057961|0.058124|0.085254|0.096754|0.110893|0.139142|0.094791|0.077908|0.079793|0.299362|0.500000| |1.441339|1.565794|1.540486|1.643362|1.810765|1.856737|1.710330|2.043041|13.737501|3.419634|3.161466|3.124659|2.537535|3.164149|3.162489|2.682458|2.274118|3.998706|8.132381|5.505550|4.556110|6.924397|0.168931|7.429159|7.200584|5.443554|4.593153|4.640049|5.612598|34.766800|12.226544|0.217520|17.725263|5.644090|0.038159|0.041202|0.038117|0.039958|0.044334|0.047445|0.063823|0.055996|0.054538|0.068233|0.066420|0.092841|0.094942|0.081009|0.076971|0.071119|0.059910|0.057914|0.096404|0.109943|0.113030|0.195263|0.129888|0.104927|0.106316|0.299873|0.300283|0.500000| |1.755786|1.904917|1.878952|1.978929|2.135741|2.176386|2.045075|2.281509|15.501604|3.623095|3.594265|3.638280|2.707605|3.367390|3.962963|3.764561|2.896398|5.566047|12.474987|7.455872|6.921574|6.776065|0.172137|4.502172|3.980290|3.089494|2.736272|2.881070|3.567450|27.351347|12.263611|0.234310|5.673496|17.729953|0.045203|0.051001|0.046850|0.048904|0.053137|0.056160|0.071680|0.062494|0.058084|0.068729|0.070000|0.099021|0.089411|0.097115|0.113047|0.107902|0.074307|0.075908|0.120352|0.144967|0.254141|0.121030|0.078244|0.065955|0.070850|0.142826|0.150472|0.126415|0.500000| |1.659614|1.779481|1.726379|1.799609|1.954566|2.035865|1.929918|2.182193|14.066482|3.370616|3.227379|3.217372|2.417633|2.953419|3.200889|3.022910|2.454380|4.159573|9.438027|5.414437|4.712225|5.567320|0.148537|4.128384|3.764463|2.995562|2.658346|2.769018|3.348475|25.461500|12.349068|0.220708|7.500866|17.661901|0.043200|0.048505|0.043967|0.044858|0.047919|0.053995|0.067919|0.061030|0.055969|0.063321|0.062056|0.089423|0.080160|0.078883|0.092031|0.083338|0.062853|0.064841|0.091806|0.107353|0.145358|0.114227|0.076703|0.064623|0.068450|0.184286|0.236186|0.149779|0.302413|0.500000| 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