Version2.1 2021-01-15T02:38:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@@H](C)NC(=O)[C@H]1CCC[NH+](C1)CCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N(C)C C62613435 RHF 6-31G(d) (6D,7F) CCC[C@@H](C)NC(=O)[C@H]1CCC[NH+](C1)CCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N(C)C C01[X(C22H36Cl1N4O4S1)] 198 C1 560 CCC[C@H](NC(=O)[C@H]1CCC[NH+](C1)CCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N(C)C)C CCC[C@H](NC(=O)[C@H]1CCC[NH+](C1)CCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N(C)C)C CCC[C@@H](C)NC(=O)[C@H]1CCC[NH+](CCC(=O)Nc2cc(ccc2Cl)[S](=O)(=O)N(C)C)C1 InChIKey=CENZDJFXGCBZDC-SJORKVTESA-O InChI=1S/C22H35ClN4O4S/c1-5-7-16(2)24-22(29)17-8-6-12-27(15-17)13-11-21(28)25-20-14-18(9-10-19(20)23)32(30,31)26(3)4/h9-10,14,16-17H,5-8,11-13,15H2,1-4H3,(H,24,29)(H,25,28)/p+1/t16-,17+/m1/s1 InChI=1/C22H35ClN4O4S/c1-5-7-16(2)24-22(29)17-8-6-12-27(15-17)13-11-21(28)25-20-14-18(9-10-19(20)23)32(30,31)26(3)4/h9-10,14,16-17H,5-8,11-13,15H2,1-4H3,(H,24,29)(H,25,28)/p+1/t16-,17+/m1/s1/fC22H36ClN4O4S/h24-25,27H/q+1 CCC[C@@H](C)NC(=O)[C@H]1CCC[NH+](C1)CCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N(C)C C01[X(C22H36Cl1N4O4S1)] 198 C01 560 CCC[C@H](NC(=O)[C@H]1CCC[NH+](C1)CCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N(C)C)C CCC[C@H]([NH][C](=O)[C@H]1CCC[NH](C1)CCC(=O)N[C]1[CH][C]([CH][CH][C]1Cl)S(=O)(=O)N(C)C)C CCC[C@@H](C)NC(=O)[C@H]1CCC[NH](CCC(=O)N[C]2[CH][C]([CH][CH][C]2Cl)[S](=O)(=O)N(C)C)C1 InChIKey=AATRIWIHPDGWQX-SJORKVTESA-N InChI=1S/C22H36ClN4O4S/c1-5-7-16(2)24-22(29)17-8-6-12-27(15-17)13-11-21(28)25-20-14-18(9-10-19(20)23)32(30,31)26(3)4/h9-10,14,16-17,27H,5-8,11-13,15H2,1-4H3,(H,24,29)(H,25,28)/t16-,17+/m1/s1 InChI=1/C22H36ClN4O4S/c1-5-7-16(2)24-22(29)17-8-6-12-27(15-17)13-11-21(28)25-20-14-18(9-10-19(20)23)32(30,31)26(3)4/h9-10,14,16-17,27H,5-8,11-13,15H2,1-4H3,(H,24,29)(H,25,28)/t16-,17+/m1/s1/f/h24-25H 3563.5220556335 -2228.0676991 1-A 34324.2179 130 430 560 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.92563 -92.26832 -20.65829 -20.63934 -20.61208 -20.61114 -15.85462 -15.71826 -15.69519 -15.66318 -11.48682 -11.46747 -11.44614 -11.44435 -11.43860 -11.40347 -11.39566 -11.39502 -11.39486 -11.38705 -11.37601 -11.35770 -11.35018 -11.34284 -11.34003 -11.33867 -11.32595 -11.32483 -11.30785 -11.30087 -11.29703 -11.28366 -10.65895 -9.23960 -8.12829 -8.12503 -8.12489 -6.92620 -6.92560 -6.92471 -1.53959 -1.52937 -1.51005 -1.49583 -1.41462 -1.38071 -1.34903 -1.31739 -1.28280 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 4.8562 8.9968 13.1376 21.8493 26.5912 40.3435 45.0442 45.5172 55.5153 64.5588 71.0194 78.6485 81.4005 91.6331 106.5548 128.7013 132.4242 145.7472 158.5768 175.9795 190.3562 191.9687 197.6295 210.6970 216.2052 248.5227 251.6510 264.0909 269.7651 280.5367 287.7639 292.6325 303.3034 321.8063 333.5397 347.4635 371.9265 377.1496 388.0162 398.9663 414.1216 419.2800 459.2724 476.3774 502.0080 502.7354 510.7913 526.6085 532.9918 537.2146 543.8163 551.0868 557.1650 583.0135 623.1630 645.3354 657.0610 669.3091 681.6991 766.3923 776.8223 788.8355 799.6582 806.0095 826.1763 843.6127 852.3748 874.9460 916.1079 927.0459 946.7993 949.8600 960.2166 974.2051 976.3784 1000.7983 1009.4796 1033.9727 1036.0409 1045.5727 1060.2142 1063.8728 1067.5756 1094.3440 1101.8149 1108.4930 1112.1887 1123.1324 1139.0669 1149.6741 1155.1547 1172.7321 1187.0378 1195.6682 1208.9667 1215.3417 1232.9203 1233.8851 1236.3151 1243.9663 1265.1077 1269.3583 1275.5274 1279.0222 1285.6137 1297.6623 1320.7403 1336.0262 1345.9147 1351.5347 1372.4694 1382.9888 1394.3569 1415.3135 1423.8108 1428.7857 1429.1229 1429.3176 1450.2443 1459.1399 1464.1220 1479.9723 1484.2754 1489.5401 1499.5305 1515.2109 1521.4609 1532.5416 1536.1246 1559.2020 1560.3229 1563.9690 1567.0011 1570.9371 1572.0065 1590.6169 1592.2668 1613.5315 1621.1810 1630.0240 1630.8487 1635.0118 1636.5142 1637.7647 1638.2877 1638.3114 1639.5089 1641.0367 1642.4102 1643.2082 1644.3077 1646.4479 1654.5985 1655.3647 1660.3190 1664.4795 1716.9489 1720.1730 1782.7637 1798.9839 1930.9669 1965.1518 3175.5444 3191.7363 3194.7048 3198.0715 3198.7293 3204.4277 3207.9143 3208.9708 3220.5193 3232.2341 3236.1130 3244.1763 3267.5831 3269.2952 3274.1397 3275.1376 3281.9277 3285.2122 3288.0366 3289.1528 3290.3169 3290.5736 3292.1592 3296.9788 3299.0828 3340.2665 3359.9697 3361.0389 3362.8208 3378.5638 3407.4955 3423.8817 3455.9891 3684.7633 3865.0616 3865.5280 5.4195 3.8761 4.9336 4.6683 5.7324 5.5566 6.4808 4.6622 4.5854 4.1381 1.9522 3.2731 3.6544 3.2758 2.5170 3.8959 2.9533 3.4605 3.2433 4.1628 2.4903 1.4131 2.1689 1.4666 3.2363 4.7333 3.0329 1.1620 1.1969 6.0585 3.8408 2.9400 4.2774 5.0300 3.7427 4.0319 3.8688 3.0902 3.5443 4.9447 4.1842 2.7319 3.3753 4.6254 3.4319 2.6513 1.3845 2.1347 2.4228 2.8732 2.7129 2.2926 3.1587 5.2550 3.5408 2.3119 5.7555 5.8345 5.5339 6.4214 4.8925 4.8383 1.1392 5.3951 4.2495 3.1753 2.9025 1.5314 2.0783 1.7958 1.5984 1.3478 1.8191 2.1057 1.9187 4.1318 3.0922 1.9148 1.6841 2.1746 2.5612 2.6834 3.3647 2.1976 1.4546 2.4496 1.3681 2.2243 1.9458 6.3017 2.0679 1.5119 2.1341 2.9150 2.9450 2.1117 1.2167 4.3782 1.9994 1.1944 2.1046 2.8645 2.6465 2.2369 1.3685 2.0850 1.8572 1.7271 1.2658 3.8996 1.8694 1.3537 1.3839 1.2886 1.4039 1.3096 2.0688 1.3591 1.1302 1.1699 1.2097 10.5215 1.3987 1.2435 1.3827 1.2940 1.3114 1.4130 1.4136 1.8390 1.6179 2.1955 1.3064 1.3721 1.4162 1.2560 1.1684 1.2457 1.1623 1.1152 1.0975 1.0734 1.1258 1.1086 1.1113 2.0010 1.1176 1.0464 1.1196 1.0437 1.0445 1.0491 1.0528 1.0956 1.0967 1.0552 2.0987 2.2927 4.6898 5.2223 9.1977 9.3585 1.0718 1.0503 1.0606 1.0521 1.0854 1.0394 1.0400 1.0725 1.0970 1.0651 1.0624 1.0967 1.1030 1.0979 1.0739 1.1030 1.0963 1.0874 1.0915 1.1028 1.0712 1.1013 1.0887 1.0902 1.0628 1.1109 1.1104 1.1006 1.1014 1.1051 1.0917 1.0963 1.0930 1.0778 1.0788 1.0786 0.0001 0.0002 0.0005 0.0013 0.0024 0.0053 0.0077 0.0057 0.0083 0.0102 0.0058 0.0119 0.0143 0.0162 0.0168 0.0380 0.0305 0.0433 0.0481 0.0760 0.0532 0.0307 0.0499 0.0384 0.0891 0.1722 0.1132 0.0477 0.0513 0.2809 0.1874 0.1483 0.2318 0.3069 0.2453 0.2868 0.3153 0.2590 0.3144 0.4637 0.4228 0.2830 0.4195 0.6184 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6.8151 7.3026 7.3860 7.3255 7.3383 7.4321 7.4681 7.5721 7.6919 8.6223 9.4949 9.4955 1.5541 0.2655 0.5331 1.8299 1.0770 3.4849 7.9081 2.2606 1.2378 2.2216 0.3072 1.5322 5.2422 1.6929 1.9179 1.8488 1.8745 3.5720 4.0848 1.4930 2.7922 1.0618 2.2971 3.4060 10.4421 1.2145 1.6969 0.1585 0.9558 9.2871 5.5689 6.0145 0.0396 2.3869 4.6033 6.0934 18.4798 0.2464 0.9142 1.8564 7.8984 12.1759 31.9095 10.4675 1.2364 2.9298 41.7788 56.5145 26.3649 65.0890 12.3543 35.1075 6.7429 22.2726 9.7234 14.9949 33.4590 23.6271 77.1385 21.1318 38.0679 11.1343 3.3967 150.5943 3.6300 53.3924 37.2101 9.3270 5.1629 1.2939 0.5719 17.3377 3.6316 13.0992 0.2332 13.4372 6.0046 1.3358 26.3923 14.5913 46.9624 136.6083 35.8580 29.4916 0.1106 5.8979 0.2465 1.2130 2.2299 73.8645 2.8861 17.0586 1.8235 50.8485 33.6715 8.7916 2.8823 90.0312 17.5086 2.5985 47.1342 106.2728 51.9357 42.7925 4.7032 8.4396 44.5834 96.0453 19.2913 27.9585 121.5266 7.7905 14.1531 27.0781 9.1556 10.8605 52.4305 3.0424 2.7283 4.4095 34.5989 218.0940 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228.16 253.20 273.88 276.20 284.34 303.15 311.07 357.57 362.07 379.97 388.13 403.63 414.03 421.03 436.39 463.01 479.89 499.92 535.12 542.63 558.27 574.02 595.83 603.25 660.79 685.40 722.28 723.32 734.91 757.67 766.86 772.93 782.43 792.89 801.64 838.83 896.59 928.49 945.36 962.99 980.81 1102.67 1117.67 1134.96 1150.53 1159.67 1188.68 1213.77 1226.38 1258.85 1318.07 1333.81 1362.23 1366.64 1381.54 1401.66 1404.79 1439.93 1452.42 1487.66 1490.63 1504.35 1525.41 1530.68 1536.00 1574.52 1585.27 1594.87 1600.19 1615.94 1638.86 1654.12 1662.01 1687.30 1707.88 1720.30 1739.43 1748.61 1773.90 1775.29 1778.78 1789.79 1820.21 1826.32 1835.20 1840.23 1849.71 1867.05 1900.25 1922.24 1936.47 1944.56 1974.68 1989.81 2006.17 2036.32 2048.55 2055.70 2056.19 2056.47 2086.58 2099.38 2106.54 2129.35 2135.54 2143.12 2157.49 2180.05 2189.04 2204.99 2210.14 2243.34 2244.96 2250.20 2254.57 2260.23 2261.77 2288.54 2290.92 2321.51 2332.52 2345.24 2346.43 2352.42 2354.58 2356.38 2357.13 2357.16 2358.89 2361.09 2363.06 2364.21 2365.79 2368.87 2380.60 2381.70 2388.83 2394.81 2470.31 2474.95 2565.00 2588.34 2778.23 2827.42 4568.90 4592.20 4596.47 4601.31 4602.26 4610.46 4615.47 4616.99 4633.61 4650.46 4656.04 4667.65 4701.32 4703.79 4710.76 4712.19 4721.96 4726.69 4730.75 4732.36 4734.03 4734.40 4736.68 4743.62 4746.64 4805.90 4834.25 4835.79 4838.35 4861.00 4902.63 4926.20 4972.40 5301.55 5560.96 5561.63 0.626417 0.659507 0.660451 0.554082 -2227.441282 -2227.408192 -2227.407248 -2227.513617 3.567634D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE CCC[C@@H](C)NC(=O)[C@H]1CCC[NH+](C1)CCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N(C)C C62613435 RHF 6-31G(d) (6D,10F) C1 487.214580 |X|Y|Z| 43.584600 50.573073 172.819934 72.490664 16 6 7 14 2 |36.858105| |12.463550|36.858105| |7.491628|12.447659|36.858105| |4.847427|7.387456|12.447979|36.858105| |4.558714|6.912323|8.879466|17.624728|0.500000| |3.753550|4.855619|7.501686|12.468853|0.247425|36.858105| |4.278128|6.246902|7.767376|12.964790|0.258241|7.732854|53.358707| |3.456525|4.722549|5.195572|7.713582|0.206397|5.835576|19.415956|36.858105| |3.129776|4.177904|4.533653|6.706982|0.211668|5.485095|11.516666|15.819744|73.516695| |3.003923|3.823979|3.960915|4.964641|0.130609|4.156465|10.639412|12.429956|14.328434|36.858105| |2.986240|3.704160|3.934720|4.732560|0.117604|4.118233|10.074979|8.806668|10.589920|17.504201|0.500000| |3.089638|3.864982|3.646586|4.181143|0.114509|3.381262|8.001455|7.564352|10.636045|12.377930|0.245094|36.858105| |2.555395|3.009445|2.862051|3.165230|0.086277|2.721221|5.595220|4.915939|7.549590|7.527788|0.187348|12.458521|36.858105| |2.193527|2.562573|2.509097|2.842811|0.078676|2.544600|4.857137|4.427616|7.312136|6.466620|0.156758|7.553725|12.507164|36.858105| |2.169265|2.557788|2.610031|3.056251|0.083262|2.827022|5.309423|4.992890|8.185409|7.620599|0.190166|6.514379|7.689424|12.675935|53.358707| |2.175513|2.539394|2.612757|3.011345|0.080024|2.812423|5.273979|4.699566|7.347765|7.236451|0.211824|6.041148|7.337005|9.401416|25.700886|0.500000| |2.450382|2.998288|3.136355|3.903337|0.106933|3.565914|7.129305|7.736500|12.616289|12.463539|0.246084|7.545680|6.513604|7.666471|17.246776|0.260018|36.858105| |1.868883|2.161015|2.224651|2.583569|0.071107|2.479631|4.240527|3.824273|6.678454|4.936360|0.128364|4.346144|4.953357|7.540232|17.199212|0.263187|7.560288|36.858105| |1.780614|2.058393|2.103277|2.450968|0.069327|2.352851|3.891973|3.533839|6.588323|4.191110|0.103861|3.849758|4.162858|6.046644|10.161389|0.157377|6.158112|12.495229|36.858105| |1.564381|1.776506|1.823987|2.091189|0.058920|2.052072|3.225213|2.805208|5.213654|3.188205|0.082383|2.953538|3.188294|4.237326|6.723691|0.118064|4.249163|7.708023|12.463223|36.858105| |1.493321|1.680425|1.731543|1.963871|0.054624|1.942685|3.028717|2.578831|4.676613|2.957799|0.078892|2.732831|3.002622|3.900311|6.244718|0.116580|3.818462|7.189866|8.030215|15.913321|73.516695| |1.483916|1.678229|1.718518|1.964258|0.056058|1.934698|2.960733|2.551077|4.857081|2.782662|0.071302|2.615013|2.746111|3.479481|5.235256|0.093089|3.557868|5.151431|7.874942|14.105257|14.959296|53.358707| |1.338717|1.495651|1.532538|1.729032|0.049204|1.719223|2.564606|2.156616|4.073982|2.315343|0.060397|2.192295|2.298205|2.800626|4.132146|0.076286|2.834100|3.866253|5.035842|7.745051|11.791541|18.335462|36.858105| |1.277797|1.419845|1.467234|1.649298|0.046492|1.661992|2.436971|2.021365|3.772662|2.164928|0.057514|2.022191|2.116207|2.532471|3.813640|0.072364|2.619400|3.560887|4.233736|6.286380|11.466960|10.624823|13.732411|36.858105| |1.170775|1.289390|1.329995|1.479559|0.041696|1.495430|2.161436|1.766317|3.285595|1.871187|0.050047|1.764708|1.840632|2.150660|3.174923|0.061116|2.201400|2.841178|3.249733|4.348250|8.034656|7.009439|7.947782|13.779720|36.858105| |1.122324|1.231414|1.261300|1.395041|0.039549|1.401357|2.024502|1.649201|3.081792|1.734682|0.046139|1.660118|1.728000|2.001348|2.884914|0.055292|2.012944|2.515751|2.908948|3.711656|6.565174|6.169145|6.828503|7.900423|13.740657|36.858105| |1.162666|1.279600|1.301853|1.442113|0.041174|1.435097|2.095474|1.719824|3.239062|1.808578|0.047571|1.749607|1.821818|2.124614|3.014040|0.056955|2.104870|2.615375|3.132246|3.952557|6.621310|7.003107|7.884244|6.864387|7.979487|13.791168|36.858105| |1.267156|1.406628|1.429316|1.597304|0.045750|1.579419|2.343279|1.952408|3.701586|2.070416|0.053867|2.000974|2.090350|2.494529|3.548552|0.065806|2.462421|3.150040|3.993316|5.263821|8.222905|10.679841|13.707037|7.969575|6.939417|7.964824|13.769377|36.858105| |1.314377|1.461757|1.466587|1.634923|0.047350|1.591478|2.394433|2.006114|3.841638|2.117024|0.054231|2.096426|2.183370|2.597184|3.554612|0.064923|2.488780|3.033375|3.929775|4.584494|6.841659|8.683706|7.002192|4.760274|4.245670|4.781690|7.072954|10.936314|448.794386| |1.104363|1.208178|1.254135|1.386384|0.038743|1.416195|2.014960|1.622743|2.985210|1.712487|0.046506|1.603700|1.667599|1.911312|2.843529|0.055953|1.981110|2.495948|2.699404|3.416413|6.614564|5.015319|4.725873|6.969477|10.688686|6.925779|4.723323|4.207723|24.393838|388.023441| |1.035809|1.127687|1.168914|1.285348|0.036032|1.315018|1.849209|1.478453|2.729053|1.541847|0.041815|1.452532|1.498682|1.693941|2.489154|0.048993|1.757609|2.130067|2.307051|2.806244|5.250411|4.184305|3.856027|5.013191|7.389183|6.485145|4.430278|3.717880|22.443164|94.957536|73.516695| |1.159110|1.272723|1.333107|1.482973|0.041226|1.529893|2.160006|1.739734|3.192317|1.834567|0.050121|1.688906|1.745388|1.999507|3.046387|0.060353|2.137802|2.694366|2.854705|3.592124|7.085293|5.069933|4.459971|6.572850|7.391923|4.983783|3.858529|3.728596|22.465030|94.843760|13.579168|73.516695| |1.065897|1.159847|1.197842|1.312904|0.036509|1.332656|1.918128|1.536438|2.792419|1.641148|0.044929|1.552712|1.638481|1.873582|2.754315|0.054827|1.880245|2.408283|2.533641|3.167064|6.373591|4.438897|3.998590|5.360778|6.932004|5.380546|4.011341|3.634065|22.085842|83.013914|13.729235|13.731249|53.358707| |1.004136|1.087186|1.115440|1.214082|0.033856|1.225154|1.766848|1.409640|2.562372|1.501998|0.041024|1.440185|1.523370|1.728853|2.490237|0.049491|1.700347|2.137772|2.261213|2.758436|5.400395|3.922488|3.519679|4.312738|5.610659|5.215739|3.965712|3.428961|21.438560|51.004020|11.718363|8.886593|17.775531|36.858105| |1.115038|1.215156|1.254938|1.375927|0.038048|1.392431|2.031061|1.630148|2.934031|1.768062|0.048749|1.669732|1.785025|2.058402|3.047991|0.061256|2.036739|2.709785|2.771709|3.498525|7.472434|4.634923|3.976105|5.209171|5.641158|4.358612|3.558275|3.452980|21.538081|51.044771|8.887106|11.701372|17.781224|7.714502|36.858105| |17.562443|8.783160|5.464504|4.020571|0.109151|3.172756|5.077928|3.165069|5.160143|2.832485|0.077449|3.022950|2.537592|2.164720|2.856625|0.058213|2.333459|1.811002|1.734651|1.525264|2.585707|1.974218|1.310351|1.245988|1.143832|1.101125|1.144499|1.246833|10.449211|7.650446|1.796181|1.997194|1.417407|0.985017|1.088828|0.500000| |17.538991|8.766961|6.784536|4.476750|0.111663|3.618581|5.604211|3.292192|5.190095|2.944034|0.083666|2.997175|2.524888|2.157304|2.920617|0.060624|2.395443|1.847955|1.738622|1.534159|2.624193|1.968824|1.308261|1.255743|1.151685|1.100557|1.135131|1.234321|10.208614|7.766906|1.818504|2.042607|1.440482|0.995996|1.110892|0.301762|0.500000| |17.550976|8.775843|6.791411|4.505673|0.120300|3.678580|5.140584|3.106636|5.144839|2.674437|0.073592|2.698521|2.265438|1.989345|2.701088|0.055093|2.241804|1.736961|1.669375|1.480151|2.511874|1.924794|1.283151|1.227779|1.129652|1.084998|1.122436|1.218284|10.131143|7.597587|1.788850|1.993257|1.399746|0.969687|1.071112|0.301980|0.301790|0.500000| |8.867949|17.518247|8.819743|6.714522|0.171764|4.450471|9.451229|5.302788|7.899772|4.469882|0.120284|4.736169|3.559635|2.911987|3.890984|0.079146|3.338161|2.355382|2.215231|1.887904|3.175553|2.403542|1.562708|1.478651|1.336399|1.273840|1.326036|1.464699|12.240306|8.874982|2.061013|2.335712|1.637358|1.126977|1.267149|0.213393|0.210467|0.173075|0.500000| |8.856846|17.522305|8.867779|6.830322|0.209456|4.573715|7.644013|4.622436|7.745126|3.668281|0.095111|3.765572|2.925968|2.534863|3.414740|0.067947|2.958341|2.138791|2.077675|1.790438|2.983491|2.325054|1.520640|1.433953|1.302613|1.250036|1.305940|1.438113|12.105018|8.627721|2.018698|2.263710|1.578823|1.089591|1.209555|0.212705|0.172858|0.210884|0.304128|0.500000| |6.929349|8.876750|17.543498|8.958338|0.210783|7.122384|7.690216|4.214094|6.951180|3.296115|0.090570|3.051735|2.473964|2.218313|3.143823|0.063981|2.738612|2.014925|1.928864|1.696240|2.865295|2.197069|1.451980|1.394383|1.271826|1.209857|1.246759|1.361009|11.200236|8.558730|2.005395|2.272248|1.560582|1.069702|1.194679|0.141226|0.170488|0.205909|0.173618|0.211936|0.500000| |6.854941|8.816497|17.472294|8.848698|0.174031|6.790686|9.646604|4.742814|7.105258|3.858228|0.111992|3.511189|2.826481|2.462805|3.514163|0.073284|3.044377|2.199409|2.043194|1.783156|3.041952|2.268717|1.491996|1.438897|1.306165|1.233940|1.266717|1.386383|11.328439|8.819950|2.051292|2.351017|1.620376|1.107051|1.252670|0.140188|0.203282|0.168758|0.210338|0.173410|0.304876|0.500000| |3.626339|4.464267|6.809042|8.780976|0.173588|17.537053|9.417754|5.146491|8.128505|3.984991|0.115795|3.228989|2.660041|2.473931|3.768945|0.078332|3.404311|2.431699|2.260135|1.988876|3.393336|2.529199|1.660490|1.620157|1.461421|1.363572|1.387280|1.520114|12.189735|9.932849|2.301415|2.693486|1.799517|1.213347|1.388137|0.084799|0.101423|0.097945|0.116417|0.111531|0.176420|0.201553|0.500000| |3.173677|4.029135|5.474906|8.809070|0.214277|17.576638|9.591071|6.218732|11.176831|4.375881|0.117686|3.425434|2.776892|2.672738|4.148810|0.083177|3.956812|2.708499|2.590796|2.252299|3.764163|2.892628|1.875851|1.813398|1.620076|1.510206|1.545722|1.709704|13.755805|10.873061|2.515237|2.955182|1.942008|1.303877|1.488975|0.077028|0.084835|0.086016|0.106688|0.109250|0.143755|0.139688|0.300335|0.500000| |3.687997|4.556996|6.827186|8.817208|0.213033|17.567314|7.617699|4.534446|7.989115|3.404372|0.092983|2.900657|2.386775|2.247426|3.342317|0.067547|3.009773|2.197390|2.118809|1.876229|3.159093|2.439215|1.609690|1.558316|1.414165|1.332877|1.364598|1.491713|12.093822|9.551328|2.233963|2.569782|1.717264|1.164638|1.309522|0.086382|0.097368|0.105001|0.110960|0.122893|0.213296|0.166498|0.301306|0.301651|0.500000| |4.358637|6.016089|7.292051|8.978435|0.181628|6.441801|26.043427|9.455802|10.861240|7.479799|0.231715|5.815830|4.222476|3.547124|5.252288|0.110820|4.890257|3.053104|2.726042|2.280571|3.866258|2.821456|1.807078|1.729723|1.539036|1.438285|1.481483|1.649211|13.445778|10.276464|2.353911|2.756099|1.887899|1.278237|1.477348|0.105163|0.122596|0.104424|0.195957|0.140139|0.146156|0.215768|0.183286|0.158918|0.135069|0.500000| |3.593105|4.529353|4.072549|4.410571|0.117884|3.437966|8.416815|6.783362|9.271192|8.808189|0.215750|17.591145|8.845699|5.510303|6.663652|0.134315|5.503592|3.538725|3.162719|2.534149|4.233722|3.099056|1.949634|1.816541|1.605781|1.517207|1.591497|1.797002|15.082318|10.486508|2.390958|2.756778|1.951058|1.335870|1.536869|0.098241|0.097433|0.084547|0.165199|0.118574|0.092373|0.110039|0.092206|0.093202|0.082265|0.180782|0.500000| |3.047539|3.842003|3.542898|4.100718|0.118783|3.285967|7.329550|7.162082|11.544191|8.856561|0.173915|17.545660|8.836412|6.774286|7.718057|0.137400|6.768848|4.086382|3.895417|2.968451|4.769240|3.663439|2.244301|2.038957|1.780250|1.690002|1.800671|2.071111|17.783649|11.379704|2.589447|2.975197|2.094723|1.433792|1.639844|0.083878|0.079967|0.074749|0.127616|0.109070|0.083798|0.091544|0.084714|0.093270|0.079746|0.138034|0.303485|0.500000| |2.517002|2.908882|2.803220|3.040412|0.080715|2.657651|5.372258|4.457817|6.668491|6.707778|0.195835|8.797911|17.514147|8.869828|9.395762|0.215377|5.674802|4.642201|3.721816|2.969373|5.130807|3.455490|2.161187|2.026902|1.774105|1.656084|1.725939|1.958343|16.129207|11.596985|2.601918|3.049666|2.199680|1.499779|1.774309|0.069031|0.070541|0.061836|0.095529|0.076724|0.067244|0.078938|0.073858|0.074619|0.064615|0.117991|0.214984|0.173161|0.500000| |2.490252|2.872295|2.654055|2.854193|0.078892|2.446524|4.831692|4.084989|6.514625|5.484737|0.138478|8.810320|17.580782|8.963515|7.616765|0.147498|4.888825|4.109158|3.665412|2.902210|4.857773|3.481561|2.170834|1.987725|1.747376|1.659548|1.760577|2.009965|17.124723|11.232297|2.540613|2.907132|2.123092|1.465348|1.690887|0.070114|0.067992|0.061288|0.094203|0.078430|0.064419|0.072375|0.066173|0.068656|0.060678|0.100668|0.210294|0.215115|0.304078|0.500000| |1.986894|2.269245|2.221446|2.466200|0.067934|2.246578|4.095471|3.566813|5.945281|4.853822|0.126495|5.483865|8.761229|17.621285|12.368089|0.223788|5.604728|7.181068|5.662757|4.274636|7.276344|4.704811|2.829904|2.573156|2.193240|2.039894|2.159213|2.524327|20.915217|13.880253|3.059963|3.603303|2.647586|1.802166|2.163756|0.054744|0.054681|0.050331|0.070916|0.062141|0.055178|0.061145|0.061316|0.065218|0.055764|0.084283|0.123118|0.138834|0.214334|0.211907|0.500000| |2.153269|2.525104|2.451983|2.796795|0.079415|2.493880|4.658856|4.322313|7.575839|5.758979|0.132289|6.825812|8.809965|17.637868|12.386033|0.182508|7.052277|6.799165|6.658328|4.468708|6.931175|5.162097|2.988511|2.625319|2.221084|2.090768|2.259255|2.693846|23.247505|13.776410|3.066895|3.568929|2.558811|1.743862|2.038790|0.059347|0.058025|0.054607|0.078840|0.070850|0.060746|0.065685|0.066183|0.073244|0.061796|0.091654|0.139614|0.199812|0.173415|0.214286|0.300835|0.500000| |2.395697|2.939933|3.027657|3.786524|0.108788|3.429312|6.542326|7.203703|14.099437|8.868079|0.174112|6.819572|5.767430|7.020076|12.333548|0.181820|17.695982|6.789250|6.776945|4.471194|6.773191|5.289204|3.024388|2.718703|2.274537|2.101842|2.233123|2.649984|22.030082|14.280498|3.183989|3.814063|2.565897|1.713401|2.016107|0.063870|0.063996|0.061366|0.089721|0.082900|0.074462|0.079596|0.088248|0.106679|0.082088|0.119350|0.139546|0.199540|0.132455|0.129268|0.144015|0.213193|0.500000| |2.332505|2.827031|3.065252|3.872650|0.104214|3.762388|6.834910|6.916431|11.617282|8.760171|0.214339|5.480990|4.886612|5.605973|12.370206|0.222842|17.624693|7.209074|5.814623|4.292865|6.998678|4.881950|2.887423|2.731606|2.285499|2.060021|2.123957|2.468104|19.489690|14.804670|3.267685|4.069427|2.664263|1.748658|2.121725|0.060999|0.063778|0.060017|0.085332|0.076975|0.075359|0.083565|0.101076|0.120200|0.087486|0.130615|0.123010|0.138741|0.127345|0.107655|0.126657|0.144519|0.301810|0.500000| |1.838809|2.122463|2.230333|2.609539|0.070983|2.574569|4.251261|3.768917|6.554225|4.687726|0.127123|3.884362|4.188777|5.581745|12.416733|0.233539|7.008932|17.644187|8.845734|7.009489|12.683413|6.592160|3.775789|3.649817|2.905173|2.517084|2.556399|3.024792|22.609963|18.605398|3.935568|5.175674|3.403921|2.178495|2.830049|0.049053|0.050765|0.047732|0.063621|0.057980|0.056370|0.061723|0.070870|0.079091|0.063131|0.085335|0.090530|0.100339|0.113529|0.097111|0.147295|0.140316|0.167130|0.220830|0.500000| |1.754566|1.997312|2.035959|2.309484|0.063282|2.213652|3.744903|3.257377|5.609622|4.158782|0.112158|3.888310|4.712819|7.067293|12.395679|0.230359|5.578519|17.664065|8.845474|7.100370|13.510581|6.495997|3.757503|3.510948|2.838286|2.515186|2.599542|3.094750|23.729559|17.858748|3.787971|4.759978|3.393590|2.224531|2.870926|0.047533|0.048468|0.045281|0.060554|0.054688|0.051419|0.056343|0.060878|0.066098|0.055017|0.076212|0.090521|0.100721|0.127413|0.112348|0.223078|0.169832|0.140634|0.146666|0.303517|0.500000| |1.780080|2.050947|2.055605|2.364004|0.067500|2.225504|3.739502|3.377746|6.304692|4.008462|0.097876|3.955173|4.410453|6.634890|9.164005|0.142180|5.486233|8.758329|17.556785|8.931240|11.245163|9.483736|4.684596|3.805174|3.021769|2.799255|3.096714|3.970903|33.782616|17.709683|3.846181|4.558331|3.225356|2.164539|2.569475|0.048637|0.048062|0.046223|0.061642|0.057904|0.052333|0.055174|0.059102|0.067099|0.056049|0.072772|0.089876|0.114584|0.105872|0.111767|0.175687|0.229056|0.174306|0.134399|0.172718|0.209486|0.500000| |1.860967|2.177140|2.246791|2.676041|0.076677|2.583734|4.219723|3.928833|7.678117|4.439573|0.106769|3.918643|3.944831|5.318022|9.105611|0.142410|6.751169|8.762498|17.580580|8.880018|10.874415|9.895774|4.758120|4.016809|3.122814|2.816327|3.038301|3.845918|30.834934|18.544988|4.020785|4.950819|3.251641|2.131854|2.554469|0.050069|0.050120|0.048662|0.064565|0.061550|0.057363|0.059974|0.067905|0.080522|0.064488|0.080201|0.089290|0.112914|0.097016|0.096122|0.130245|0.166648|0.230100|0.183268|0.211141|0.172824|0.302384|0.500000| |1.534792|1.744612|1.777585|2.041137|0.058959|1.994397|3.062292|2.664013|5.178593|2.861373|0.071938|2.715362|2.802530|3.526952|5.179008|0.090426|3.645800|4.798402|7.627364|9.439646|10.855725|26.045583|9.264634|5.858231|4.322190|4.047634|4.792064|7.258357|58.251379|22.716621|4.924617|5.707281|3.852060|2.560669|2.903125|0.041751|0.041286|0.040657|0.050917|0.049752|0.046414|0.047476|0.052647|0.060954|0.051443|0.058918|0.065390|0.079335|0.070702|0.072994|0.094979|0.110666|0.115203|0.100127|0.122448|0.120072|0.204474|0.218241|0.500000| |1.318602|1.468862|1.529292|1.726920|0.048325|1.752719|2.567187|2.130491|3.946450|2.296929|0.061563|2.108666|2.206131|2.646601|4.107858|0.078742|2.810321|3.930131|4.485296|6.738550|13.544315|9.705966|8.923612|17.813038|8.946678|5.642313|4.955499|5.662677|31.502704|47.515940|8.247714|13.531701|7.207476|4.033116|5.570837|0.035565|0.036124|0.035144|0.042545|0.040985|0.040267|0.041855|0.047731|0.053358|0.045392|0.050791|0.052517|0.058390|0.059202|0.056857|0.074545|0.074896|0.079604|0.083086|0.116635|0.107032|0.107060|0.117765|0.148411|0.500000| |1.056782|1.153185|1.180799|1.298120|0.036759|1.307047|1.872479|1.512145|2.816637|1.581916|0.042275|1.518304|1.576104|1.800913|2.581663|0.049892|1.810544|2.211115|2.500809|3.077848|5.503545|4.915792|4.932868|5.634459|8.904687|17.762905|8.924669|5.658203|31.676729|46.935546|13.151193|8.150374|7.239235|5.625607|4.073848|0.028821|0.028815|0.028452|0.033041|0.032500|0.031575|0.032134|0.035403|0.038965|0.034690|0.037037|0.038831|0.042872|0.042153|0.042216|0.051007|0.052003|0.052257|0.051472|0.061662|0.061605|0.067226|0.067605|0.091903|0.124263|0.500000| |1.118925|1.226316|1.241791|1.367594|0.039162|1.356582|1.975596|1.612629|3.039196|1.685570|0.044299|1.646330|1.709572|1.969742|2.753267|0.052145|1.934186|2.336084|2.765680|3.331222|5.567780|5.693819|5.634196|4.951041|5.658169|8.910634|17.758882|8.952128|54.426976|27.712556|6.870164|5.745164|4.680545|3.549864|3.055522|0.030689|0.030294|0.030063|0.035228|0.034863|0.033130|0.033503|0.036370|0.040392|0.036000|0.038788|0.041842|0.047285|0.044934|0.046284|0.055555|0.058386|0.057135|0.053832|0.063035|0.064587|0.077386|0.075022|0.113303|0.107629|0.214160|0.500000| |0.973275|1.049692|1.076171|1.165568|0.032393|1.175855|1.696576|1.346109|2.431683|1.437630|0.039496|1.382058|1.466876|1.652709|2.372012|0.047540|1.613926|2.017001|2.094724|2.506109|4.944518|3.483611|3.012746|3.582533|4.324968|4.037075|3.270213|2.919640|18.963658|38.431832|8.982423|7.546957|12.560054|17.612764|7.171789|0.026536|0.026889|0.026100|0.030241|0.029141|0.028669|0.029766|0.032473|0.034619|0.031058|0.034246|0.035770|0.038052|0.040368|0.039269|0.048073|0.045980|0.044869|0.046047|0.057136|0.058757|0.055863|0.054699|0.063671|0.096120|0.119035|0.083133|0.500000| |1.020209|1.105810|1.129017|1.228811|0.034363|1.231967|1.793396|1.436974|2.616136|1.537572|0.041793|1.485872|1.581074|1.806128|2.574460|0.050839|1.745062|2.217730|2.376124|2.922551|5.680505|4.203452|3.835447|4.532603|5.837900|5.816861|4.527917|3.849124|23.876528|43.409784|9.793024|7.808268|12.215226|17.508127|6.779685|0.027872|0.028060|0.027319|0.031918|0.030847|0.030018|0.031057|0.033793|0.036385|0.032494|0.035998|0.038176|0.041241|0.043038|0.042437|0.052581|0.050909|0.049103|0.049421|0.061864|0.064515|0.063972|0.061663|0.076099|0.113159|0.170211|0.112704|0.300342|0.500000| |0.971027|1.049683|1.077802|1.172003|0.032758|1.185880|1.694574|1.348108|2.460651|1.423520|0.038802|1.364423|1.431273|1.612696|2.319502|0.046002|1.603440|1.969344|2.096243|2.520067|4.818790|3.645293|3.272998|3.945531|5.282808|5.245482|3.914622|3.275051|20.668469|49.150275|13.960159|8.401290|12.418154|17.679644|5.634637|0.026456|0.026716|0.026124|0.030116|0.029284|0.028815|0.029661|0.032564|0.035059|0.031446|0.033969|0.035257|0.037873|0.039049|0.038306|0.046338|0.045381|0.045083|0.045854|0.055798|0.056265|0.055868|0.055651|0.067185|0.101308|0.172067|0.099697|0.302047|0.298529|0.500000| |1.152464|1.259317|1.293879|1.420513|0.039369|1.425850|2.110480|1.706254|3.071715|1.868988|0.051265|1.778406|1.922846|2.250375|3.305745|0.065934|2.170868|2.990459|3.092259|4.018656|8.821260|5.265765|4.544312|5.795546|5.895444|4.617842|3.905995|3.894584|24.062234|43.554733|7.829438|9.795962|12.212981|6.756610|17.511271|0.031337|0.031846|0.030656|0.036633|0.034867|0.034088|0.035805|0.039368|0.042334|0.037131|0.042612|0.045198|0.048601|0.052858|0.050702|0.066442|0.062119|0.059899|0.062173|0.085107|0.089625|0.080247|0.077407|0.089896|0.166827|0.115236|0.092002|0.170178|0.193908|0.138968|0.500000| |1.069098|1.158728|1.194481|1.300364|0.035852|1.314806|1.916252|1.525884|2.729044|1.655567|0.045938|1.572662|1.686436|1.921555|2.817520|0.057196|1.880447|2.454224|2.464262|2.999685|6.315132|3.936703|3.276299|4.031295|4.341404|3.615406|3.041567|2.937176|19.050237|38.422089|7.537686|8.966920|12.565543|7.193468|17.611159|0.029035|0.029668|0.028533|0.033563|0.031959|0.031616|0.033230|0.036553|0.038827|0.034411|0.038909|0.040484|0.042750|0.046893|0.044581|0.056391|0.052535|0.051410|0.054184|0.070883|0.072827|0.064194|0.063165|0.069997|0.118117|0.097047|0.074753|0.222815|0.171642|0.147087|0.300159|0.500000| 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