Version2.1 2020-12-16T22:25:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)C[C@@H](COc1ccc(cc1Cl)S(=O)(=O)c2ccc(c(c2)Cl)OC[C@H](C[NH+](C)C)O)O C06182951 RHF 6-31G(d) (6D,7F) C[NH+](C)C[C@@H](COc1ccc(cc1Cl)S(=O)(=O)c2ccc(c(c2)Cl)OC[C@H](C[NH+](C)C)O)O C01[X(C22H32Cl2N2O6S1)] 189 C1 571 C[NH+](C[C@@H](COc1ccc(cc1Cl)S(=O)(=O)c1ccc(c(c1)Cl)OC[C@H](C[NH+](C)C)O)O)C C[NH+](C[C@@H](COc1ccc(cc1Cl)S(=O)(=O)c1ccc(c(c1)Cl)OC[C@H](C[NH+](C)C)O)O)C C[NH+](C)C[C@H](O)COc1ccc(cc1Cl)[S](=O)(=O)c2ccc(OC[C@@H](O)C[NH+](C)C)c(Cl)c2 InChIKey=IODCNPPFMILXEB-HOTGVXAUSA-P InChI=1S/C22H30Cl2N2O6S/c1-25(2)11-15(27)13-31-21-7-5-17(9-19(21)23)33(29,30)18-6-8-22(20(24)10-18)32-14-16(28)12-26(3)4/h5-10,15-16,27-28H,11-14H2,1-4H3/p+2/t15-,16-/m0/s1 InChI=1/C22H30Cl2N2O6S/c1-25(2)11-15(27)13-31-21-7-5-17(9-19(21)23)33(29,30)18-6-8-22(20(24)10-18)32-14-16(28)12-26(3)4/h5-10,15-16,27-28H,11-14H2,1-4H3/p+2/t15-,16-/m0/s1/fC22H32Cl2N2O6S/h25-26H/q+2 C[NH+](C)C[C@@H](COc1ccc(cc1Cl)S(=O)(=O)c2ccc(c(c2)Cl)OC[C@H](C[NH+](C)C)O)O C01[X(C22H32Cl2N2O6S1)] 189 C01 571 C[NH+](C[C@@H](COc1ccc(cc1Cl)S(=O)(=O)c1ccc(c(c1)Cl)OC[C@H](C[NH+](C)C)O)O)C C[NH](C[C@@H](CO[C]1[CH][CH][C]([CH][C]1Cl)S(=O)(=O)[C]1[CH][CH][C]([C]([CH]1)Cl)OC[C@H](C[NH](C)C)O)O)C C[NH](C)C[C@H](O)CO[C]1[CH][CH][C]([CH][C]1Cl)[S](=O)(=O)[C]2[CH][CH][C](OC[C@@H](O)C[NH](C)C)[C](Cl)[CH]2 InChIKey=ZRLDDUMADBWRJS-HOTGVXAUSA-N InChI=1S/C22H32Cl2N2O6S/c1-25(2)11-15(27)13-31-21-7-5-17(9-19(21)23)33(29,30)18-6-8-22(20(24)10-18)32-14-16(28)12-26(3)4/h5-10,15-16,25-28H,11-14H2,1-4H3/t15-,16-/m0/s1 InChI=1/C22H32Cl2N2O6S/c1-25(2)11-15(27)13-31-21-7-5-17(9-19(21)23)33(29,30)18-6-8-22(20(24)10-18)32-14-16(28)12-26(3)4/h5-10,15-16,25-28H,11-14H2,1-4H3/t15-,16-/m0/s1 3848.2679172319 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931.5577 936.1244 943.3083 977.9888 978.5973 1028.9402 1028.9842 1040.8174 1043.1172 1044.7045 1045.1228 1083.8030 1083.8172 1104.0383 1104.4110 1123.3133 1123.4583 1150.8409 1150.8891 1164.1095 1164.6131 1190.5553 1203.0080 1203.1153 1213.2394 1214.4521 1218.6650 1231.8400 1250.9894 1251.5796 1255.9270 1273.0271 1276.7834 1276.9069 1301.7323 1304.7864 1315.6573 1315.7553 1372.1095 1372.1134 1390.0197 1391.1591 1395.9037 1396.0127 1408.2762 1408.3164 1437.1629 1442.2475 1453.8761 1453.9322 1460.7419 1474.2868 1474.4263 1533.8032 1533.9445 1542.3256 1547.8124 1568.7492 1568.8860 1585.2243 1585.2294 1587.5125 1587.5305 1604.8822 1604.8959 1609.5751 1609.6319 1619.5467 1619.5521 1625.3826 1625.4034 1638.6794 1638.6802 1643.7308 1643.7620 1650.8605 1650.9348 1657.6554 1658.6780 1659.5564 1659.5612 1673.1612 1674.0747 1767.9026 1772.5210 1790.6758 1790.9242 3223.6211 3223.6451 3241.1492 3241.1500 3262.4589 3262.4595 3270.0890 3270.0895 3276.3625 3276.3649 3280.9354 3280.9510 3336.7920 3336.7946 3363.0200 3363.0202 3366.4757 3366.4768 3368.9254 3368.9260 3385.3273 3385.3298 3403.9721 3404.0571 3419.8750 3419.9812 3424.1026 3424.2299 3665.4499 3665.4742 4062.2867 4062.3419 5.1788 5.6660 6.0343 4.5453 3.9778 3.6388 4.6023 5.7850 6.4132 3.3152 3.1628 3.8426 3.9910 6.0292 5.1780 9.9151 10.6709 3.8935 5.5038 3.4833 3.6067 3.6743 3.7083 4.7531 1.1820 1.1958 6.0913 1.1764 1.2029 4.2820 4.1590 7.5834 6.2559 5.8121 5.9617 6.2668 5.1765 2.6023 2.6118 8.4678 6.7363 3.6359 1.8833 1.4343 1.7204 2.8722 1.8851 2.0578 3.2066 3.2474 5.7054 2.5728 2.5232 7.1906 5.1966 3.8758 4.5729 3.9148 3.6707 5.0935 5.6742 7.1864 8.4794 4.2456 4.3597 6.0473 5.9333 3.1945 3.2040 3.1678 1.4783 1.8720 5.8550 2.4082 2.4444 1.7640 1.7697 1.4485 1.6014 2.8085 2.3835 2.4706 2.4699 1.3491 1.3447 2.0132 2.0119 1.2003 1.1990 2.8632 2.9548 5.3872 1.6968 1.6905 2.9846 3.6172 5.1294 4.1433 2.1764 2.0729 2.6096 4.6324 1.5650 1.5633 1.9563 2.1257 1.9495 1.9613 1.6041 1.6042 1.3456 1.3322 1.2842 1.2632 1.5964 1.5330 2.5992 2.5266 1.2452 1.2472 8.9978 1.2702 1.2664 1.2623 1.2664 3.4774 3.5318 1.2993 1.2982 1.2184 1.2186 1.2022 1.2017 1.2114 1.2118 1.2801 1.2785 1.1088 1.1087 1.2834 1.2840 1.0720 1.0720 1.0702 1.0699 1.1261 1.1211 1.3780 1.3222 1.0628 1.0651 1.7788 1.8873 6.8814 6.8820 5.5224 5.5369 1.0568 1.0568 1.0867 1.0867 1.0320 1.0320 1.0368 1.0368 1.0558 1.0558 1.1098 1.1098 1.1113 1.1113 1.1108 1.1108 1.1105 1.1105 1.1100 1.1100 1.1089 1.1089 1.0907 1.0907 1.0936 1.0938 1.0952 1.0955 1.0782 1.0782 1.0668 1.0668 0.0002 0.0004 0.0006 0.0015 0.0020 0.0019 0.0028 0.0062 0.0077 0.0097 0.0092 0.0137 0.0162 0.0517 0.0455 0.0979 0.1385 0.0624 0.0884 0.0588 0.0674 0.0729 0.0764 0.1083 0.0348 0.0352 0.2058 0.0477 0.0490 0.1814 0.1768 0.4162 0.3688 0.3982 0.4152 0.4866 0.4285 0.2429 0.2439 0.9187 0.7361 0.4425 0.2385 0.1888 0.2279 0.3876 0.2617 0.2903 0.4615 0.4681 0.8905 0.4354 0.4329 1.3718 1.0465 0.8369 1.0107 0.8964 0.8412 1.3741 1.5642 2.2110 2.7890 1.6017 1.6717 2.3889 2.4506 1.4720 1.4778 1.6006 0.7558 0.9665 3.0696 1.3571 1.3792 1.1004 1.1040 0.9245 1.0267 1.8060 1.5339 1.7098 1.7094 0.9689 0.9664 1.4967 1.4961 0.9366 0.9357 2.2860 2.3612 4.4990 1.4468 1.4417 2.5884 3.1433 4.4883 3.7043 2.0067 1.9131 2.4252 4.4232 1.5031 1.5018 1.9531 2.1322 1.9882 2.0005 1.7793 1.7795 1.5318 1.5191 1.4744 1.4505 1.8654 1.7914 3.1630 3.0964 1.5508 1.5534 11.3119 1.6266 1.6221 1.7497 1.7557 4.8737 4.9852 1.8839 1.8827 1.8040 1.8042 1.7851 1.7844 1.8384 1.8389 1.9539 1.9516 1.7135 1.7133 1.9977 1.9987 1.6960 1.6960 1.7036 1.7032 1.8082 1.8004 2.2309 2.1433 1.7245 1.7284 2.9339 3.1163 12.6719 12.7393 10.4331 10.4634 6.4702 6.4703 6.7262 6.7262 6.4715 6.4715 6.5325 6.5325 6.6775 6.6775 7.0389 7.0390 7.2904 7.2904 7.4022 7.4022 7.4148 7.4148 7.4223 7.4223 7.4878 7.4878 7.4462 7.4464 7.5355 7.5379 7.5656 7.5679 8.5353 8.5354 10.3721 10.3725 11.4489 6.7790 0.3618 1.2371 0.0789 0.1509 0.5807 0.9386 1.2006 7.2305 1.3237 3.8626 1.5524 1.7479 2.2885 6.0986 1.7677 1.6399 2.1037 2.3599 0.0787 13.4857 4.5047 2.5319 1.6711 0.0372 3.4468 1.3186 0.6439 0.1423 3.4658 0.0123 10.6103 0.0639 3.7185 7.1083 0.2585 11.3348 0.0875 1.9050 0.5296 0.0127 103.5151 1.5192 145.6604 0.1297 89.5284 0.5927 2.3353 0.8251 13.1208 6.1725 14.0985 41.7213 81.8325 16.1684 6.1643 6.2400 11.3267 46.9123 274.4754 15.0890 170.4077 14.3215 19.1860 3.0550 34.8770 0.1781 11.8407 15.7166 18.9345 21.6720 86.4142 50.4481 22.3257 20.3315 3.6832 6.6994 18.0284 123.1821 4.7924 64.6571 0.3172 0.3120 0.9923 7.8136 49.7467 9.2782 7.3366 8.5299 2.0489 44.6645 11.1341 0.7018 256.0401 3.3266 61.6335 69.2318 32.7673 102.0219 144.0151 194.6544 9.7110 13.4002 5.3620 44.3236 8.2327 27.2761 4.5115 0.2408 149.7930 143.0835 31.9070 4.6345 146.0604 8.2052 582.7913 50.1358 3.0160 59.7195 175.4180 29.1209 67.0171 78.1926 39.5159 0.5093 88.0670 111.4752 14.3413 3.5491 6.3437 27.3676 7.4537 24.9005 5.7399 20.3815 1.9884 6.0019 0.3733 20.0726 9.1877 8.5172 5.8233 105.3232 1.0482 61.5691 16.5188 208.1214 59.4676 30.9319 42.3749 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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 1.00783 1.00783 8827.9347 65323.6079 67563.1767 0.99996 0.00000 -0.00849 -0.00000 1.00000 0.00000 0.00849 -0.00000 0.99996 1 0.00981 0.00133 0.00128 0.20444 0.02763 0.02671 12.03 16.10 18.59 33.91 42.06 43.18 45.82 61.55 65.05 101.22 101.29 111.88 119.59 173.61 175.66 186.28 213.58 237.21 237.57 243.52 256.27 264.08 268.98 283.00 321.59 321.65 344.53 377.55 378.14 385.84 386.43 439.12 455.09 490.65 494.64 522.31 539.28 572.73 572.85 617.41 619.64 653.93 667.03 679.99 682.15 688.62 698.42 704.08 711.07 711.64 740.53 771.09 776.37 818.72 841.15 870.98 881.23 896.93 897.32 973.57 984.16 1039.70 1075.00 1151.31 1160.71 1178.11 1204.64 1272.41 1273.02 1332.37 1340.30 1346.87 1357.21 1407.11 1407.98 1480.42 1480.48 1497.50 1500.81 1503.10 1503.70 1559.35 1559.37 1588.46 1589.00 1616.20 1616.41 1655.80 1655.87 1674.89 1675.62 1712.94 1730.86 1731.01 1745.58 1747.33 1753.39 1772.34 1799.89 1800.74 1807.00 1831.60 1837.01 1837.18 1872.90 1877.30 1892.94 1893.08 1974.16 1974.17 1999.93 2001.57 2008.39 2008.55 2026.20 2026.25 2067.76 2075.07 2091.80 2091.88 2101.68 2121.17 2121.37 2206.80 2207.00 2219.06 2226.96 2257.08 2257.28 2280.78 2280.79 2284.08 2284.10 2309.07 2309.09 2315.82 2315.90 2330.17 2330.17 2338.56 2338.59 2357.69 2357.70 2364.96 2365.01 2375.22 2375.33 2385.00 2386.47 2387.73 2387.74 2407.31 2408.62 2543.62 2550.26 2576.38 2576.74 4638.07 4638.11 4663.29 4663.29 4693.95 4693.95 4704.93 4704.93 4713.95 4713.96 4720.53 4720.56 4800.90 4800.90 4838.64 4838.64 4843.61 4843.61 4847.13 4847.13 4870.73 4870.73 4897.56 4897.68 4920.44 4920.59 4926.52 4926.70 5273.76 5273.80 5844.72 5844.80 0.581320 0.614682 0.615626 0.508978 -2725.128674 -2725.095312 -2725.094368 -2725.201016 3.576991D-04 MUNgauss RevisionA2.0 retrievium 16-Dec-2020 DUDE C[NH+](C)C[C@@H](COc1ccc(cc1Cl)S(=O)(=O)c2ccc(c(c2)Cl)OC[C@H](C[NH+](C)C)O)O C06182951 RHF 6-31G(d) (6D,10F) C1 522.135814 |X|Y|Z| 55.775105 43.531600 184.958512 76.578428 13 6 16 12 1 |36.858105| |12.759359|53.358707| |9.294146|25.641555|0.500000| |7.728041|17.355380|0.260253|36.858105| |7.695042|17.294495|0.262895|7.616677|36.858105| |5.009788|10.436798|0.210048|6.206542|12.479055|36.858105| |4.452833|9.059392|0.175294|6.589784|8.807647|17.560816|0.500000| |3.855022|6.776388|0.136685|4.204325|7.546780|12.511197|0.249677|36.858105| |3.153078|5.433967|0.114387|3.615311|5.163660|8.254819|0.209218|13.602633|73.516695| |2.613788|4.272570|0.088853|2.904721|3.899965|5.293790|0.141504|7.943179|25.133211|36.858105| |2.462251|3.876728|0.079228|2.599266|3.568394|4.400887|0.114682|6.651808|14.054931|13.767006|36.858105| |2.090375|3.213976|0.065672|2.199040|2.839378|3.348649|0.089828|4.490659|9.258067|7.936303|13.737015|36.858105| |1.910919|2.946742|0.060706|2.059230|2.527614|3.007379|0.082898|3.788965|8.235841|6.885370|7.956666|13.799646|36.858105| |1.977278|3.106474|0.064666|2.199284|2.633974|3.246027|0.091365|3.978688|9.401288|7.921535|6.861720|7.917999|13.703714|36.858105| |2.279918|3.686024|0.077353|2.594965|3.178209|4.164596|0.117578|5.243284|14.505881|13.632571|7.923613|6.876689|7.972497|13.855630|36.858105| |2.287610|3.761135|0.080438|2.737138|3.088452|4.101576|0.121392|4.488843|11.754225|7.011444|4.761184|4.229169|4.777464|7.070536|10.984766|448.794386| |1.628488|2.458426|0.050458|1.736337|2.058059|2.355733|0.065369|2.817530|5.757290|4.197573|4.731630|6.968315|10.733875|6.943151|4.736796|28.192819|388.023441| |1.549735|2.346412|0.048099|1.686511|1.938101|2.221363|0.062914|2.578376|5.297222|3.726171|3.891400|5.051888|7.365375|6.407766|4.428754|28.413380|94.531835|73.516695| |1.599834|2.384822|0.048514|1.674735|2.007844|2.244462|0.061801|2.696417|5.264715|3.725100|4.483901|6.623072|7.394774|4.958368|3.853391|23.497552|94.531854|13.508714|73.516695| |1.516747|2.269285|0.047112|1.592473|1.868427|2.119482|0.058029|2.482626|5.045158|3.521873|3.834776|5.066546|6.660591|5.343805|3.961917|25.286418|76.329548|13.146050|13.093820|36.858105| |1.425190|2.132440|0.044473|1.510644|1.729050|1.961513|0.054161|2.238855|4.573572|3.093599|3.190137|3.907626|5.066522|4.717385|3.596349|24.619961|49.552346|11.774125|8.981062|13.799648|36.858105| |1.336143|1.982478|0.041521|1.400842|1.590265|1.783777|0.048945|2.006569|4.037163|2.646708|2.715410|3.190137|3.834759|3.656514|2.992435|21.323572|33.647082|7.971272|6.917993|7.956657|13.737003|36.858105| |1.323944|1.948669|0.040833|1.364302|1.564715|1.736862|0.047133|1.960896|3.880260|2.522009|2.646714|3.093606|3.521864|3.248502|2.747332|19.371808|29.849356|6.622327|6.624248|6.885360|7.936303|13.767020|36.858105| |1.398947|2.055445|0.042932|1.426232|1.669365|1.847990|0.049725|2.124235|4.167815|2.747344|2.992456|3.596371|3.961919|3.444118|2.909187|19.737526|33.683822|6.850405|7.873252|7.972489|6.876693|7.923620|13.632569|36.858105| |1.500475|2.221242|0.046162|1.540742|1.829511|2.044503|0.055133|2.401237|4.755491|3.248524|3.656551|4.717431|5.343824|4.269488|3.444129|22.214916|49.373392|8.814782|11.391391|13.703708|7.918008|6.861724|7.921534|13.855632|36.858105| |1.355029|1.964744|0.041025|1.352089|1.589191|1.727014|0.046003|1.971643|3.764353|2.413111|2.656247|3.066868|3.149870|2.767252|2.458657|16.954303|24.973536|5.203573|6.292179|4.777461|4.229170|4.761186|7.011445|10.984762|7.070533|448.794386| |1.239043|1.810010|0.038003|1.267320|1.439290|1.581383|0.042830|1.760358|3.439459|2.182646|2.270909|2.572639|2.837894|2.674946|2.344386|16.998299|23.029126|5.264666|5.297185|4.632655|5.207661|7.905899|14.137422|8.159552|5.288222|53.077667|73.516695| |1.158255|1.689980|0.035488|1.192337|1.332097|1.460129|0.039811|1.603244|3.129520|1.960892|2.006570|2.238857|2.482619|2.401220|2.124223|15.827786|20.035745|4.793588|4.583754|3.788961|4.490657|6.651806|7.943177|5.243281|3.978686|36.035433|24.182456|36.858105| |1.088409|1.575199|0.033066|1.109319|1.234987|1.339193|0.036394|1.460129|2.811342|1.736858|1.783778|1.961513|2.119476|2.044489|1.847979|13.863969|16.751866|3.990126|3.949072|3.007376|3.348647|4.400883|5.293782|4.164590|3.246025|32.926499|14.675181|12.511164|36.858105| |1.070225|1.544016|0.032296|1.086288|1.213922|1.310201|0.035584|1.433217|2.741097|1.696778|1.762028|1.949807|2.089058|1.984778|1.790079|13.294728|16.734512|3.955272|4.026501|2.984323|3.233814|4.128562|5.094172|4.232810|3.289137|35.082551|13.389995|8.988316|17.560814|0.500000| |1.016093|1.467836|0.030808|1.039836|1.142398|1.234984|0.033720|1.332094|2.558728|1.564709|1.590264|1.729050|1.868422|1.829498|1.669354|12.757542|14.635092|3.569481|3.445505|2.527614|2.839378|3.568393|3.899964|3.178210|2.633976|24.793417|9.179830|7.546772|12.479107|0.244657|36.858105| |0.969150|1.391776|0.029222|0.984271|1.078413|1.157290|0.031510|1.241618|2.364092|1.431674|1.456516|1.566692|1.667228|1.631925|1.510117|11.587904|12.844027|3.114854|3.064693|2.164955|2.361291|2.848212|3.139034|2.708100|2.282309|22.183021|7.097435|4.978584|7.667880|0.184884|12.706151|53.358707| |0.997536|1.431899|0.030139|1.009126|1.109104|1.190386|0.032296|1.277588|2.432168|1.470001|1.494750|1.601017|1.696029|1.661834|1.545566|11.856319|12.917342|3.104920|3.078343|2.185439|2.364194|2.852241|3.198724|2.784713|2.327980|23.246683|7.320852|4.920711|7.561811|0.175294|9.464230|25.641549|0.500000| |0.919572|1.319122|0.027709|0.936935|1.016096|1.088411|0.029728|1.158257|2.202744|1.323944|1.336146|1.425194|1.516748|1.500471|1.398945|10.877826|11.580385|2.844144|2.755082|1.910925|2.090384|2.462264|2.613799|2.279925|1.977283|18.364451|5.605497|3.855049|5.009816|0.123689|7.695068|17.366882|0.258171|36.858105| |0.936933|1.339701|0.028031|0.946346|1.039837|1.109318|0.030175|1.192335|2.253006|1.364296|1.400840|1.510639|1.592464|1.540728|1.426222|10.854177|12.347214|2.977275|2.998215|2.059216|2.199025|2.599246|2.904696|2.594944|2.199269|21.972961|6.427152|4.204278|6.206469|0.183045|7.616656|17.355415|0.260252|7.728042|36.858105| |1.112788|1.606669|0.033864|1.125351|1.256514|1.359786|0.036726|1.479529|2.840202|1.741313|1.784548|1.936878|2.064247|2.000460|1.836307|13.823458|15.828751|3.720255|3.740117|2.807913|3.039931|3.860298|4.718899|3.952120|3.088369|33.350299|12.474274|7.895837|13.626549|0.258542|8.199099|9.875664|0.251884|4.850855|5.753436|73.516695| |4.850734|9.875357|0.251872|5.753361|8.198985|13.626503|0.258542|7.895857|12.474487|4.718960|3.860329|3.039953|2.807938|3.088401|3.952172|33.350799|15.828873|3.740159|3.720297|2.064267|1.936890|1.784558|1.741326|1.836328|2.000485|13.823630|2.840222|1.479536|1.359792|0.036727|1.256516|1.606675|0.033864|1.112793|1.125354|2.473570|73.516695| |17.653163|12.310881|0.221416|7.181312|5.601956|4.171296|0.106960|3.268797|4.966029|2.348425|2.200164|1.896962|1.757981|1.829379|2.093979|17.177180|10.764949|2.578377|2.633787|1.420717|1.345575|1.268127|1.255182|1.317784|1.403874|10.256393|2.098712|1.109205|1.045181|0.028500|0.980030|1.275345|0.026790|0.892283|0.904836|1.901654|7.576096|0.500000| |17.653804|12.296688|0.223634|5.616308|7.100089|4.775211|0.112832|3.883617|5.597124|2.631226|2.516002|2.131851|1.930969|1.979721|2.273098|18.016687|11.696027|2.756060|2.884314|1.543337|1.443928|1.358795|1.355769|1.439798|1.540568|11.284363|2.259826|1.183325|1.114866|0.030475|1.037443|1.349641|0.028420|0.938551|0.959667|2.034757|8.457906|0.299603|0.500000| |17.643291|12.311052|0.180544|6.982026|6.989512|4.552203|0.116531|3.652569|5.280246|2.507990|2.399556|2.051741|1.868443|1.916257|2.187418|17.410164|11.401962|2.717573|2.823421|1.481458|1.388205|1.297993|1.285586|1.361032|1.464527|10.587701|2.136652|1.124017|1.056879|0.028957|0.987188|1.281370|0.026855|0.893124|0.912972|1.913917|7.333760|0.299267|0.298864|0.500000| |5.617912|12.278961|0.226763|17.683588|6.951413|6.985194|0.232590|4.538822|7.236233|3.199921|2.773705|2.334481|2.211574|2.407887|2.893235|25.280513|13.123196|3.208357|3.127219|1.684865|1.604267|1.479960|1.430855|1.489867|1.614817|11.227464|2.352859|1.246520|1.153301|0.031286|1.081115|1.387277|0.029008|0.970362|0.976609|2.075653|11.645742|0.146533|0.126158|0.142115|0.500000| |7.222359|12.328253|0.222224|17.654171|5.576179|4.755959|0.136920|3.462659|5.479859|2.541425|2.290929|1.972690|1.865353|1.991647|2.317039|19.854672|11.341031|2.764462|2.733128|1.478862|1.412793|1.319788|1.287100|1.338708|1.434463|10.230949|2.138769|1.136998|1.062182|0.028859|0.999743|1.292312|0.027050|0.906877|0.912415|1.919268|8.528149|0.223636|0.146617|0.175680|0.300560|0.500000| |6.958022|12.309234|0.181319|17.642803|6.953842|5.454181|0.165490|3.970054|5.995394|2.778869|2.536506|2.162470|2.015659|2.128671|2.478087|20.568794|12.180323|2.964233|2.963283|1.556722|1.471849|1.360980|1.325368|1.388755|1.505350|10.577144|2.186452|1.157395|1.077679|0.029411|1.010582|1.301922|0.027179|0.910259|0.922706|1.936561|8.305509|0.173686|0.142088|0.206907|0.298316|0.299277|0.500000| |6.815735|12.323260|0.182724|7.105211|17.621272|8.726186|0.215698|6.533176|8.177641|3.657801|3.443778|2.783349|2.468674|2.540178|3.006714|23.124735|14.455518|3.419441|3.565489|1.821067|1.680656|1.539657|1.512316|1.615554|1.778304|12.340145|2.470047|1.287988|1.194820|0.032742|1.106793|1.421579|0.029746|0.984439|1.010583|2.150345|10.334334|0.140893|0.167579|0.202682|0.175814|0.144270|0.214008|0.500000| |7.470939|12.465644|0.222221|5.615583|17.624065|8.855470|0.173766|7.118696|8.588565|3.779938|3.597008|2.860891|2.503879|2.559788|3.042275|23.102042|14.551832|3.378320|3.582114|1.877991|1.726523|1.597127|1.587470|1.706650|1.864741|13.195273|2.603068|1.347950|1.254747|0.034320|1.156253|1.490079|0.031358|1.028524|1.057874|2.280311|12.654061|0.149123|0.229793|0.184534|0.141819|0.126874|0.144840|0.300277|0.500000| |3.625320|6.116384|0.117228|3.958516|6.778091|8.816589|0.216514|17.564025|16.470484|7.195305|6.843694|4.684506|3.844943|3.894419|4.884343|32.474820|20.547251|4.705044|5.026311|2.472817|2.209333|1.964348|1.916912|2.086964|2.383624|15.541229|3.049804|1.563199|1.424385|0.039055|1.300170|1.648171|0.034478|1.128996|1.168632|2.548527|10.118266|0.085207|0.100084|0.099671|0.116546|0.090358|0.109358|0.189836|0.174922|0.500000| |3.856037|6.406612|0.132196|3.779838|6.907705|8.825100|0.174626|17.564421|16.515965|6.785334|6.462251|4.423482|3.631441|3.679243|4.619452|31.300430|19.503341|4.370741|4.733019|2.476738|2.215731|2.008823|1.994458|2.184668|2.454089|16.561026|3.197992|1.625939|1.489182|0.040668|1.351686|1.721832|0.036300|1.175908|1.217290|2.702469|12.610330|0.090350|0.113379|0.100226|0.108831|0.089053|0.098682|0.161195|0.214671|0.298732|0.500000| |2.656519|4.131364|0.083378|2.700119|3.925826|4.632969|0.116055|7.353684|12.593096|8.899284|17.762028|8.957249|5.668733|4.949721|5.631129|31.484450|27.879253|5.820731|7.010809|3.298343|2.772826|2.422985|2.407795|2.737765|3.267681|20.248326|3.739316|1.861730|1.679659|0.046325|1.500841|1.888217|0.039608|1.273944|1.342544|3.004779|7.010956|0.064954|0.076378|0.072362|0.078445|0.065714|0.073715|0.106010|0.113521|0.222282|0.218060|0.500000| |1.982281|2.988388|0.060641|2.038533|2.624868|2.977674|0.079431|3.889049|7.462559|5.649736|8.916660|17.762541|8.940725|5.641367|4.957784|27.423567|47.341552|8.315050|13.732006|4.947828|3.716549|3.090162|3.079382|3.693574|4.919294|25.987707|4.573163|2.219918|1.963711|0.054881|1.721920|2.131465|0.044389|1.417636|1.525064|3.438609|4.804986|0.049991|0.056473|0.054477|0.059286|0.051085|0.056150|0.072328|0.074456|0.115082|0.109543|0.216231|0.500000| |1.820135|2.841238|0.059294|2.040615|2.353863|2.854780|0.081429|3.332730|7.604280|5.645766|4.950335|5.636538|8.874767|17.762569|8.981486|54.167842|46.938169|12.722634|8.065815|5.415841|5.254606|3.969679|3.359552|3.409148|4.110317|21.542787|4.902634|2.521986|2.116250|0.056641|1.908306|2.294340|0.047454|1.556044|1.579749|3.641448|4.917182|0.047264|0.050391|0.049010|0.062172|0.051888|0.054856|0.063217|0.063248|0.090516|0.085914|0.107542|0.124054|0.500000| |1.417630|2.131458|0.044388|1.525065|1.721915|1.963704|0.054881|2.219910|4.573141|3.079366|3.090153|3.716539|4.947795|4.919231|3.693540|25.987443|47.341486|13.731726|8.315011|8.940734|17.762553|8.916660|5.649738|4.957787|5.641372|27.423577|7.462559|3.889048|2.977673|0.079431|2.624869|2.988392|0.060641|1.982290|2.038520|4.804960|3.438623|0.037258|0.039640|0.038403|0.045243|0.039621|0.041322|0.046631|0.047317|0.061034|0.060126|0.074127|0.096180|0.164410|0.500000| |1.273940|1.888212|0.039608|1.342544|1.500839|1.679655|0.046325|1.861725|3.739299|2.407784|2.422981|2.772822|3.298326|3.267645|2.737741|20.248093|27.879214|7.010726|5.820699|5.668730|8.957243|17.762026|8.899290|5.631132|4.949723|31.484462|12.593101|7.353685|4.632966|0.116055|3.925825|4.131371|0.083378|2.656536|2.700099|7.010919|3.004790|0.033753|0.035879|0.034351|0.039447|0.035299|0.036195|0.040357|0.041704|0.050512|0.051522|0.060445|0.074127|0.100599|0.216231|0.500000| |1.556050|2.294356|0.047455|1.579766|1.908325|2.116271|0.056641|2.522013|4.902684|3.359589|3.969740|5.254690|5.415882|4.110333|3.409171|21.542884|46.938068|8.065755|12.722390|8.874768|5.636542|4.950338|5.645767|8.981492|17.762572|54.167854|7.604280|3.332730|2.854779|0.081429|2.353865|2.841240|0.059294|1.820140|2.040602|4.917134|3.641501|0.040217|0.044567|0.042331|0.045744|0.040703|0.043032|0.051717|0.054437|0.070224|0.072403|0.100601|0.164414|0.105351|0.124055|0.107542|0.500000| |1.175904|1.721828|0.036300|1.217290|1.351686|1.489180|0.040668|1.625935|3.197979|1.994450|2.008820|2.215727|2.476725|2.454065|2.184650|16.560845|19.503289|4.732976|4.370714|3.631432|4.423472|6.462231|6.785316|4.619445|3.679238|31.300406|16.515935|17.564412|8.825046|0.174625|6.907645|6.406635|0.132198|3.856076|3.779810|12.610315|2.702478|0.031353|0.033322|0.031594|0.035467|0.032298|0.032702|0.036165|0.037890|0.043757|0.045670|0.051522|0.060126|0.072402|0.109543|0.218059|0.085914|0.500000| |1.128995|1.648173|0.034478|1.168635|1.300173|1.424387|0.039055|1.563201|3.049805|1.916912|1.964354|2.209341|2.472818|2.383614|2.086957|15.541139|20.547305|5.026278|4.705034|3.844957|4.684528|6.843746|7.195353|4.884361|3.894432|32.474885|16.470564|17.564037|8.816595|0.216512|6.778108|6.116380|0.117229|3.625332|3.958455|10.118265|2.548543|0.030027|0.031931|0.030538|0.033966|0.030929|0.031622|0.035090|0.036404|0.042623|0.043757|0.050513|0.061035|0.070223|0.115083|0.222284|0.090517|0.298732|0.500000| |1.028519|1.490073|0.031357|1.057872|1.156251|1.254742|0.034320|1.347945|2.603054|1.587463|1.597125|1.726522|1.877986|1.864728|1.706637|13.195127|14.551858|3.582104|3.378317|2.503884|2.860901|3.597023|3.779948|3.042279|2.559792|23.102036|8.588581|7.118766|8.855515|0.173766|17.624064|12.465687|0.222221|7.471053|5.615590|12.654134|2.280311|0.027605|0.029125|0.027695|0.030633|0.028288|0.028487|0.031042|0.032427|0.036404|0.037890|0.041704|0.047317|0.054437|0.074457|0.113522|0.063248|0.214672|0.174925|0.500000| |0.984435|1.421574|0.029746|1.010581|1.106792|1.194817|0.032742|1.287984|2.470035|1.512309|1.539656|1.680655|1.821060|1.778289|1.615540|12.340000|14.455505|3.565461|3.419433|2.468670|2.783340|3.443761|3.657790|3.006712|2.540178|23.124769|8.177606|6.533095|8.726190|0.215699|17.621267|12.323202|0.182724|6.815681|7.105210|10.334428|2.150346|0.026374|0.027855|0.026642|0.029187|0.026980|0.027361|0.029898|0.031042|0.035090|0.036165|0.040357|0.046631|0.051716|0.072328|0.106009|0.063217|0.161192|0.189834|0.300276|0.500000| |0.893128|1.281377|0.026855|0.912978|0.987196|1.056886|0.028957|1.124024|2.136666|1.285594|1.298004|1.388217|1.481470|1.464536|1.361040|10.587742|11.402075|2.823438|2.717587|1.868464|2.051770|2.399596|2.508024|2.187438|1.916275|17.410247|5.280319|3.652648|4.552283|0.116531|6.989764|12.311049|0.180544|17.643294|6.981801|7.333966|1.913936|0.024074|0.025267|0.024147|0.026275|0.024541|0.024692|0.026643|0.027695|0.030539|0.031594|0.034352|0.038404|0.042331|0.054478|0.072363|0.049010|0.100229|0.099673|0.184547|0.202687|0.500000| |0.892279|1.275341|0.026790|0.904834|0.980029|1.045178|0.028500|1.109202|2.098703|1.255177|1.268124|1.345573|1.420712|1.403865|1.317775|10.256302|10.764942|2.633776|2.578369|1.757980|1.896962|2.200164|2.348422|2.093974|1.829376|17.177121|4.966019|3.268798|4.171291|0.106959|5.601955|12.310853|0.221410|17.653166|7.181522|7.576157|1.901654|0.024082|0.025329|0.024074|0.025965|0.024373|0.024421|0.026374|0.027605|0.030027|0.031353|0.033753|0.037258|0.040217|0.049991|0.064954|0.047264|0.090350|0.085207|0.149123|0.140894|0.299267|0.500000| 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|0.910250|1.301910|0.027179|0.922698|1.010573|1.077668|0.029411|1.157381|2.186421|1.325347|1.360959|1.471824|1.556690|1.505316|1.388728|10.576933|12.180044|2.963201|2.964156|2.015605|2.162410|2.536427|2.778774|2.478009|2.128612|20.568166|5.995156|3.969879|5.453914|0.165477|6.953638|12.309260|0.181319|6.958238|17.642798|8.305390|1.936548|0.024421|0.025838|0.024691|0.026462|0.024706|0.025044|0.027361|0.028487|0.031622|0.032701|0.036194|0.041321|0.043031|0.056149|0.073713|0.054854|0.098679|0.109352|0.144839|0.214000|0.206907|0.173700|0.142089|0.298317|0.299277|0.500000| 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