Version2.4 2021-05-28T18:45:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(c(cc1C(=O)[O-])OCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] C13187166 RHF 6-31G(d) (6D,7F) c1cc(c(cc1C(=O)[O-])OCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] C01[X(C19H17Cl1N3O9S1)] 144 C1 537 O=C(Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1)COc1cc(ccc1[N+](=O)[O-])C(=O)[O-] O=C(Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1)COc1cc(ccc1[N+](=O)[O-])C(=O)[O-] [O-]C(=O)c1ccc(c(OCC(=O)Nc2cc(ccc2Cl)[S](=O)(=O)N3CCOCC3)c1)[N+]([O-])=O InChIKey=PBXDKJJPWMINBW-UHFFFAOYSA-M InChI=1S/C19H18ClN3O9S/c20-14-3-2-13(33(29,30)22-5-7-31-8-6-22)10-15(14)21-18(24)11-32-17-9-12(19(25)26)1-4-16(17)23(27)28/h1-4,9-10H,5-8,11H2,(H,21,24)(H,25,26)/p-1 InChI=1/C19H18ClN3O9S/c20-14-3-2-13(33(29,30)22-5-7-31-8-6-22)10-15(14)21-18(24)11-32-17-9-12(19(25)26)1-4-16(17)23(27)28/h1-4,9-10H,5-8,11H2,(H,21,24)(H,25,26)/p-1/fC19H17ClN3O9S/h21H/q-1 c1cc(c(cc1C(=O)[O-])OCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] C01[X(C19H17Cl1N3O9S1)] 144 C01 537 O=C(Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1)COc1cc(ccc1[N+](=O)[O-])C(=O)[O-] O=C(N[C]1[CH][C]([CH][CH][C]1Cl)[S@@]([O])(=O)N1CCOCC1)CO[C]1[CH][C]([CH][CH][C]1[N]([O])[O])[C]([O])=O [O]N([O])[C]1[CH][CH][C]([CH][C]1OCC(=O)N[C]2[CH][C]([CH][CH][C]2Cl)[S]([O])(=O)N3CCOCC3)C([O])=O InChIKey=XLMNIYLMQBXPLT-UHFFFAOYSA-N InChI=1S/C19H17ClN3O9S/c20-14-3-2-13(33(29,30)22-5-7-31-8-6-22)10-15(14)21-18(24)11-32-17-9-12(19(25)26)1-4-16(17)23(27)28/h1-4,9-10H,5-8,11H2,(H,21,24) InChI=1/C19H17ClN3O9S/c20-14-3-2-13(33(29,30)22-5-7-31-8-6-22)10-15(14)21-18(24)11-32-17-9-12(19(25)26)1-4-16(17)23(27)28/h1-4,9-10H,5-8,11H2,(H,21,24)/f/h21H 3692.8171235043 -2423.3420363 1-A 24285.9488 129 408 537 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311.8170 335.7061 344.6223 383.9204 401.7074 442.8645 449.3427 466.5625 483.2387 503.9364 519.3907 528.5368 534.9826 542.9149 551.2839 555.4613 571.2628 606.4628 627.4830 634.4450 645.6877 665.5411 680.2309 700.3515 719.6538 747.7942 779.8900 784.2529 802.9740 815.6448 851.0999 859.8051 890.3729 892.5243 938.2328 946.5210 949.4855 954.2140 978.8771 1002.0966 1016.1095 1025.5878 1035.7836 1038.9403 1060.6086 1069.4978 1096.5732 1112.5055 1118.9431 1138.1440 1146.9576 1180.8020 1191.4542 1203.8161 1217.1631 1224.1415 1231.6824 1247.5125 1263.1509 1264.9967 1275.0011 1280.2490 1285.0316 1310.7199 1314.2694 1319.7066 1361.9893 1372.1356 1400.8298 1410.7297 1418.9741 1419.5610 1430.6857 1455.3255 1469.3797 1474.4760 1508.6308 1511.9788 1545.3520 1556.1815 1559.9511 1561.2157 1584.6734 1600.3579 1635.0303 1635.5729 1639.4062 1647.5932 1647.8649 1651.8375 1659.4934 1663.9434 1714.8211 1760.5536 1781.4471 1790.6870 1795.2883 1843.4055 1938.3273 2008.4613 3190.7518 3197.6719 3204.8685 3209.9705 3222.0858 3254.2184 3286.8438 3304.3219 3328.2480 3338.1051 3401.7874 3410.5182 3426.6220 3428.3319 3439.9724 3472.7952 3886.9617 10.1115 9.5946 7.6370 9.0459 7.9538 5.2444 7.4725 6.3656 7.3693 9.4639 9.0974 8.8265 6.9753 4.4486 5.6270 4.9143 7.4358 5.9987 6.9295 5.7809 6.8140 9.3354 2.2841 4.3153 9.4138 9.3468 13.2399 8.1488 6.9698 6.2769 7.7520 3.8350 3.7484 3.2289 5.5254 4.9510 3.5462 5.9492 3.5567 4.6698 7.8379 5.6421 1.3705 5.2408 6.3683 4.9601 4.1764 3.9170 8.5267 6.2283 3.9093 4.4101 7.1578 4.5611 5.3926 4.5550 5.7897 6.4236 3.3466 8.0524 6.6305 1.3415 2.4558 1.8519 9.5733 1.6723 4.9659 2.2875 1.5506 4.2011 1.7985 3.3952 4.1224 1.3418 1.3293 2.1762 1.9729 6.0388 3.1667 2.6076 1.6795 2.7569 1.9519 3.3649 4.6144 2.4164 2.1485 3.5565 2.3374 4.0866 4.9983 5.6655 2.5838 1.0969 2.0647 1.7284 1.2252 2.1541 1.3870 1.5258 1.2717 9.8583 1.2478 1.2800 12.3107 1.3406 4.1648 1.5851 2.9806 1.4848 1.5043 2.5458 6.0141 1.1124 1.1021 1.4189 1.1014 1.7209 1.1111 2.2214 9.1314 4.3671 6.1418 4.8206 12.1359 12.5475 9.6125 1.0731 1.0687 1.0702 1.0572 1.0693 1.1069 1.0984 1.0980 1.0945 1.0972 1.0917 1.0901 1.0952 1.0950 1.0901 1.0928 1.0781 0.0000 0.0009 0.0010 0.0034 0.0057 0.0068 0.0125 0.0116 0.0177 0.0277 0.0365 0.0421 0.0386 0.0336 0.0680 0.0765 0.1298 0.1516 0.1881 0.1708 0.2243 0.3684 0.1043 0.2109 0.4673 0.4767 0.7475 0.4668 0.4628 0.4392 0.6732 0.3646 0.4331 0.3841 0.7087 0.6812 0.5306 0.9456 0.5854 0.7875 1.3612 1.0103 0.2491 1.0077 1.3800 1.1507 0.9905 0.9622 2.2253 1.6980 1.1298 1.3457 2.3583 1.6345 1.9541 1.7304 2.2694 2.7415 1.4577 3.7611 3.1120 0.6957 1.2963 0.9836 5.1358 0.9441 2.9381 1.3915 0.9610 2.6555 1.1438 2.2503 2.7782 0.9506 0.9693 1.6053 1.5057 4.6806 2.6014 2.1809 1.4340 2.4064 1.7233 3.0076 4.2311 2.2716 2.0256 3.4064 2.2572 3.9759 5.0593 5.7657 2.6513 1.1988 2.2903 1.9984 1.4366 2.5554 1.6468 1.8400 1.5870 12.5407 1.5984 1.7165 16.5815 1.8862 5.9425 2.2726 4.2804 2.1968 2.2699 4.0098 9.4790 1.7616 1.7627 2.2702 1.7706 2.7923 1.8125 3.8486 16.6759 8.1656 11.6035 9.1542 24.2977 27.7755 22.8462 6.4369 6.4383 6.4767 6.4180 6.5409 6.9067 6.9912 7.0635 7.1433 7.2033 7.4436 7.4705 7.5769 7.5827 7.6002 7.7654 9.5965 0.6845 0.9823 1.1707 2.4898 0.8001 0.2543 4.5784 0.9733 1.3263 0.4027 5.5320 11.8852 3.4388 6.1735 4.1102 7.6228 8.9169 1.6897 1.4725 0.9627 5.5603 0.6356 0.0666 18.3089 0.2947 1.2840 3.2577 7.4083 1.7724 0.5710 2.0923 8.1086 4.9600 0.3521 13.2702 4.6072 3.6081 20.6812 2.9565 23.7765 3.3363 68.2347 69.8341 23.8920 14.7755 13.9154 6.7205 11.6022 76.3495 24.2467 10.3803 53.3065 4.2479 10.4309 7.8530 9.6022 201.4273 7.0467 92.3056 199.6406 6.8678 17.4386 7.8570 3.3101 44.9922 3.3850 14.1182 7.2781 18.5677 14.5320 4.0819 176.8898 9.4986 0.5485 0.9863 4.1266 15.4083 88.0980 5.2847 64.8824 4.0344 65.5203 19.2480 91.6026 128.5583 44.9500 13.6273 176.4997 3.1878 105.2822 203.2664 6.7849 234.3328 0.5218 115.1306 87.1415 120.8795 153.3772 35.0307 32.6345 22.0724 188.1741 7.2775 4.6358 682.4720 31.8328 253.6196 27.6080 52.0098 9.9112 10.3133 25.5827 351.1333 0.8451 3.4830 67.4972 22.9613 11.7672 0.5553 323.1249 43.5837 232.4580 62.3997 9.8380 714.1412 495.0465 206.9195 24.2816 14.7229 100.4516 27.5425 40.4864 25.1048 53.2761 33.4217 9.5328 5.0075 3.0141 0.8809 0.8160 3.2142 11.9588 6.6233 51.3044 2.2967 0.7724 1.3809 1.1259 2.3891 1.8759 2.9996 1.5325 0.7583 0.7558 1.0547 0.8173 1.3533 1.4204 0.6112 0.6054 0.3498 0.7696 2.5221 0.7786 1.8626 3.8289 0.2693 2.4327 2.2196 4.3732 3.0422 1.4082 0.6720 1.9989 2.5910 0.3820 0.3557 0.7806 1.5079 0.4411 0.6323 1.1439 1.2086 0.9974 0.2673 1.4563 1.7387 1.5212 1.2822 1.2944 4.1215 3.8875 2.0572 3.1569 1.6503 2.4201 3.4745 19.1132 6.2167 2.4513 2.3176 4.1836 1.1103 6.8108 4.0246 1.6743 5.0508 2.7236 12.2647 2.2732 2.5216 0.1188 2.0949 8.6206 1.1573 1.9413 9.6274 0.4679 1.2595 16.2081 0.2495 13.4687 20.9173 9.4820 0.1040 9.8497 0.4306 6.4574 5.0118 1.8484 10.6581 9.7150 2.2187 0.9250 5.5853 3.3337 8.5814 9.6827 28.3050 10.8283 9.9553 8.8949 1.6248 10.7356 2.6163 4.2986 20.5281 2.0434 12.8061 0.4913 0.9714 0.9113 7.9110 2.7810 3.4403 23.8907 119.5217 25.7376 4.8865 4.7101 2.4699 19.6143 5.9703 2.0826 17.1124 46.0209 88.4555 63.2152 7.9356 1.3220 9.1635 53.3400 38.2035 159.4636 74.3805 28.6275 27.8424 116.1561 99.0142 43.4776 39.1825 76.8467 47.9363 99.6170 122.8080 55.1146 26.5233 47.1995 0.7486 0.7490 0.7366 0.7446 0.7073 0.7411 0.6299 0.6396 0.7361 0.6756 0.5278 0.6660 0.7489 0.6995 0.7190 0.3089 0.6310 0.6037 0.6933 0.5126 0.2584 0.3683 0.7500 0.1831 0.1937 0.7030 0.3075 0.3410 0.5573 0.6954 0.5357 0.4910 0.6750 0.4178 0.5550 0.2710 0.7100 0.5709 0.6806 0.6816 0.3792 0.3436 0.3089 0.7189 0.5283 0.5126 0.3235 0.7272 0.5769 0.7054 0.7487 0.4624 0.6341 0.0441 0.0822 0.0632 0.6358 0.1518 0.7114 0.1930 0.7391 0.6538 0.2391 0.3596 0.1286 0.7117 0.7246 0.4437 0.7442 0.1707 0.3325 0.0319 0.2190 0.5239 0.6442 0.6571 0.7475 0.1593 0.1275 0.4017 0.5236 0.4822 0.5015 0.7064 0.5434 0.6308 0.3953 0.1150 0.2996 0.2784 0.4562 0.6951 0.3319 0.7484 0.1868 0.1376 0.6162 0.2070 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0.3430 0.3796 0.2229 0.8560 0.8520 0.7781 0.8167 0.3646 0.4241 0.8562 0.7671 0.3194 0.5970 0.2543 0.4517 0.3243 0.8570 0.8525 0.2347 0.6689 0.6610 0.7419 0.8386 0.2758 0.4428 0.7716 0.8571 0.7052 0.8268 0.3996 0.3293 0.5228 0.2701 0.0645 0.4266 0.8568 0.6145 0.5187 0.5412 0.5675 0.5791 0.7757 0.3191 0.3245 0.2948 0.3380 0.2411 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 6 6 6 6 6 6 6 8 8 8 6 6 8 7 6 6 6 6 6 6 17 16 8 8 7 6 6 8 6 6 7 8 8 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 12.00000 12.00000 12.00000 15.99491 15.99491 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 15.99491 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 10141.2558 37343.0396 43559.9654 0.99997 0.00670 -0.00265 -0.00671 0.99998 -0.00176 0.00263 0.00178 0.99999 1 0.00854 0.00232 0.00199 0.17796 0.04833 0.04143 4.15 18.65 21.84 36.32 50.10 67.33 76.81 79.86 91.84 101.48 118.77 129.45 139.50 163.01 205.98 233.90 247.65 298.00 308.83 322.24 340.06 372.34 400.51 414.39 417.64 423.33 445.37 448.64 483.01 495.83 552.38 577.97 637.18 646.50 671.28 695.27 725.05 747.29 760.45 769.72 781.13 793.17 799.18 821.92 872.56 902.81 912.82 929.00 957.57 978.70 1007.65 1035.42 1075.91 1122.09 1128.37 1155.30 1173.53 1224.54 1237.07 1281.05 1284.14 1349.91 1361.83 1366.10 1372.90 1408.39 1441.79 1461.96 1475.59 1490.26 1494.80 1525.98 1538.77 1577.72 1600.65 1609.91 1637.54 1650.22 1698.91 1714.24 1732.02 1751.23 1761.27 1772.12 1794.89 1817.39 1820.05 1834.44 1841.99 1848.87 1885.83 1890.94 1898.76 1959.60 1974.20 2015.48 2029.73 2041.59 2042.43 2058.44 2093.89 2114.11 2121.44 2170.58 2175.40 2223.42 2239.00 2244.42 2246.24 2279.99 2302.56 2352.44 2353.22 2358.74 2370.52 2370.91 2376.63 2387.64 2394.04 2467.25 2533.04 2563.11 2576.40 2583.02 2652.25 2788.82 2889.73 4590.78 4600.74 4611.09 4618.43 4635.86 4682.09 4729.04 4754.18 4788.61 4802.79 4894.41 4906.98 4930.14 4932.60 4949.35 4996.58 5592.47 0.392697 0.420719 0.421663 0.326123 -2422.949340 -2422.921317 -2422.920373 -2423.015914 3.204461D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE c1cc(c(cc1C(=O)[O-])OCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] C13187166 RHF 6-31G(d) (6D,10F) C1 498.037404 |X|Y|Z| 136.725707 66.459673 34.274099 67.783628 23 6 7 8 16 18 2 2 1 |36.858105| |13.822096|36.858105| |7.937354|13.725017|36.858105| |6.811108|7.872232|13.630282|36.858105| |7.943955|6.911340|7.986768|13.767395|36.858105| |13.717256|7.957427|6.876277|7.871933|13.724346|36.858105| |7.415299|4.970383|4.403630|4.971229|7.498989|12.243324|36.858105| |5.267925|4.018119|3.852375|4.619354|6.951533|8.116587|15.491427|73.516695| |6.833417|4.574134|3.828228|3.998591|5.297998|8.119579|15.537774|15.142182|73.516695| |4.593295|5.236027|8.057787|14.090748|7.913205|5.187314|3.850872|6.787284|5.661982|73.516695| |3.819271|3.992795|5.251308|8.099853|6.866831|4.576996|3.727401|7.036698|5.397482|24.480252|36.858105| |2.982288|3.182227|4.049420|5.245730|4.458047|3.367439|2.874361|5.392912|4.345749|14.401774|12.521440|36.858105| |2.801321|3.069408|3.914688|4.715270|3.876873|3.047464|2.589268|4.750239|3.996933|12.466776|7.957139|16.001810|73.516695| |2.589341|2.688337|3.254997|4.062412|3.731023|2.939001|2.625681|5.039355|4.003102|9.648750|7.896082|13.847632|14.954380|53.358707| |2.186603|2.277813|2.691160|3.176646|2.934336|2.420077|2.202747|4.189647|3.436344|7.134985|5.061267|7.712946|11.837925|18.556586|36.858105| |2.030195|2.133925|2.506558|2.877880|2.631668|2.208781|2.009163|3.776784|3.171511|6.384196|4.262348|6.346987|11.872451|10.635086|13.681503|36.858105| |1.773748|1.859362|2.140461|2.392172|2.213228|1.906032|1.756734|3.287000|2.811728|5.103781|3.265288|4.370985|8.204450|7.017885|7.920560|13.781012|36.858105| |1.660530|1.727500|1.965049|2.185254|2.050004|1.784608|1.663508|3.122045|2.674734|4.566204|2.910347|3.701222|6.595089|6.162830|6.778798|7.882048|13.750650|36.858105| |1.740720|1.798372|2.046624|2.304290|2.181574|1.888812|1.767490|3.342752|2.826177|4.810670|3.127776|3.920635|6.583701|7.010794|7.851236|6.877178|8.015098|13.802034|36.858105| |1.983469|2.046449|2.364373|2.734189|2.582293|2.184277|2.026241|3.862655|3.193641|5.853450|3.980029|5.185597|8.115770|10.702004|13.666540|7.989561|6.963594|7.955150|13.772830|36.858105| |2.051122|2.082475|2.374080|2.762306|2.682638|2.284536|2.150428|4.142927|3.378811|5.713937|3.879031|4.468428|6.660883|8.655411|6.987074|4.758396|4.252761|4.784640|7.089838|10.921550|448.794386| |1.623014|1.709534|1.945684|2.121709|1.959652|1.718025|1.586053|2.936342|2.568115|4.428582|2.720756|3.457472|6.838739|5.026251|4.726981|6.989974|10.719811|6.950804|4.741162|4.222026|24.446027|388.023441| |1.456019|1.522596|1.707891|1.847205|1.729255|1.537080|1.436026|2.660742|2.342387|3.772785|2.304420|2.811598|5.364981|4.149801|3.821509|4.962350|7.370041|6.570862|4.456002|3.714866|22.432460|94.656772|73.516695| |1.677769|1.762283|2.003580|2.193550|2.033858|1.781161|1.645440|3.050414|2.659627|4.569006|2.816578|3.545131|7.143511|4.962149|4.375910|6.386152|7.338150|5.021418|3.871499|3.708801|22.346307|94.854541|13.607830|73.516695| |1.633313|1.748042|1.999760|2.135945|1.933355|1.702148|1.551334|2.833195|2.525227|4.463037|2.638522|3.326937|6.850736|4.596771|4.100629|5.569602|6.944019|5.248515|3.972262|3.665099|22.241794|82.699893|13.724563|13.732533|53.358707| |1.540278|1.649633|1.874281|1.980991|1.796805|1.595561|1.458163|2.654134|2.386480|4.087575|2.389403|2.939063|5.852078|4.128224|3.665734|4.524891|5.676676|5.078199|3.941192|3.501971|21.847251|50.844215|11.626936|8.872158|17.721932|36.858105| |1.480119|1.597288|1.802712|1.866765|1.684749|1.512864|1.378286|2.484428|2.273318|3.795343|2.159676|2.577102|5.169502|3.502177|2.948244|3.477324|3.976558|3.621730|3.031271|2.801038|18.429610|34.516491|8.108937|7.020963|10.741550|12.527187|36.858105| |1.599941|1.749575|1.992749|2.041101|1.811732|1.622299|1.459950|2.612129|2.406445|4.174832|2.323725|2.773370|5.723060|3.638665|2.971319|3.474424|3.710243|3.272539|2.836990|2.736697|18.224523|30.687734|6.716198|6.707968|9.326502|7.910979|13.642713|73.516695| |1.695716|1.857588|2.131145|2.195586|1.939128|1.724750|1.545395|2.767481|2.536826|4.537082|2.528183|3.058168|6.549577|3.911096|3.159895|3.837247|3.963992|3.297711|2.834569|2.794889|18.365761|34.448268|7.014238|8.083629|10.723699|6.729143|8.184910|24.173921|36.858105| |1.804004|1.960701|2.278166|2.416394|2.136993|1.866918|1.673337|3.030190|2.716339|5.133303|2.958249|3.782013|8.341916|4.895884|4.123488|5.478820|5.636449|4.250029|3.515687|3.487387|21.724623|50.645247|8.848508|11.590577|17.654340|7.773452|6.728405|14.040402|12.532578|36.858105| |5.148511|7.862733|13.134803|7.641211|5.100189|4.515732|3.299198|5.312658|5.304120|12.013777|4.533888|3.902456|7.130789|4.254039|2.666415|2.536910|2.186907|1.996731|2.053551|2.341011|18.463654|14.326906|3.130367|3.659425|2.894540|2.005351|1.959066|3.929117|2.359231|2.471817|53.358707| |4.666271|7.006445|8.397671|5.445474|4.119917|3.908616|2.974156|4.744769|4.941680|8.664070|3.604259|3.221875|6.010080|3.611843|2.328499|2.261135|1.986082|1.816057|1.846655|2.065961|16.191099|13.304569|2.929131|3.415001|2.707792|1.880186|1.866690|3.759832|2.259456|2.311690|21.587071|73.516695| |4.129784|5.541515|8.354119|6.691025|4.548839|3.872497|2.956619|4.914550|4.723413|12.670206|4.813896|4.380552|8.118958|4.735697|2.977486|2.813160|2.411690|2.200319|2.270207|2.604317|20.388202|15.597784|3.385006|3.921637|3.194958|2.231298|2.173071|4.399724|2.617083|2.754604|21.738731|16.044749|73.516695| |17.772505|8.887444|5.634807|4.924352|5.666591|8.975789|6.952068|8.595377|13.752500|6.488956|3.158554|2.557414|4.305694|3.088357|1.951870|1.823976|1.613864|1.520475|1.590365|1.792054|14.920630|10.584412|2.393897|2.732994|2.037771|1.418359|1.369284|2.620040|1.555077|1.641459|5.680520|7.108533|6.121594|0.500000| |8.899378|17.765145|8.988529|5.638181|4.976076|5.644272|4.047005|5.935707|7.002363|7.557350|3.337858|2.792757|4.892931|3.255116|2.072046|1.964743|1.734656|1.616191|1.671553|1.877488|15.257520|11.479818|2.569700|2.950586|2.268158|1.582277|1.549128|3.027947|1.799973|1.870312|10.032696|13.943289|9.219759|0.212076|0.500000| |5.699946|4.980308|5.641952|8.841557|17.797733|9.103879|7.196440|14.473168|8.795436|12.511435|7.605247|4.753856|7.019779|5.608308|3.165928|2.786158|2.323606|2.158873|2.320567|2.783487|23.504627|14.422665|3.184637|3.750659|2.674187|1.818240|1.684582|3.186550|1.919468|2.144740|5.591500|6.062683|6.867156|0.125777|0.108053|0.500000| |3.781263|3.816085|4.789172|7.146726|6.894228|4.662698|3.921505|7.614397|5.607972|16.591214|17.557351|8.810112|10.472085|10.344096|4.902982|3.915277|3.085606|2.852737|3.171323|4.107841|34.920794|17.991858|3.890981|4.563092|3.316063|2.253505|2.031241|3.833584|2.297710|2.660196|5.534808|5.802805|7.697255|0.087672|0.088650|0.229437|0.500000| |3.807843|3.830197|4.777165|7.125608|6.972312|4.709134|3.962836|7.700537|5.657496|16.503853|17.533247|9.008735|11.871185|8.954493|4.535605|3.990450|3.097088|2.743771|2.903641|3.603590|27.920093|18.766807|3.989856|4.991632|3.416829|2.244191|2.033163|3.861662|2.389175|2.790609|5.473104|5.926902|7.194954|0.088273|0.088903|0.234568|0.301584|0.500000| |2.654640|2.701159|3.220172|4.075505|3.906757|3.072101|2.789369|5.453723|4.213859|9.211280|7.686125|9.385764|10.882149|26.083803|9.340202|5.796317|4.296481|4.037161|4.824242|7.393982|60.466498|22.560116|4.837984|5.541407|3.958551|2.680581|2.305746|4.225641|2.512359|3.042128|4.096628|4.533121|5.880238|0.064713|0.066284|0.123694|0.247020|0.179083|0.500000| |2.127716|2.252117|2.667716|3.064162|2.765588|2.308203|2.078676|3.885125|3.276013|6.891543|4.544948|6.928994|14.754423|9.729275|8.944687|17.838333|8.931195|5.633002|4.964023|5.677994|31.504250|47.520521|8.119841|12.790815|7.647880|4.285758|3.442261|6.334312|4.157140|6.138337|3.690259|4.308834|5.300926|0.052869|0.057522|0.080718|0.110130|0.121018|0.146254|0.500000| |1.520235|1.579434|1.777362|1.950152|1.838439|1.622025|1.521359|2.844178|2.466170|4.003697|2.502804|3.073621|5.535269|4.911611|4.907261|5.627107|8.904332|17.773204|8.905672|5.649598|31.689022|47.085843|13.567058|8.283750|6.911735|5.227915|3.705569|5.703100|3.160315|3.911817|2.467342|2.963152|3.528600|0.038939|0.041340|0.053479|0.068304|0.066152|0.091632|0.124117|0.500000| |1.634631|1.679534|1.888717|2.107153|2.015975|1.768354|1.670870|3.159503|2.688753|4.307901|2.759655|3.302752|5.521364|5.702860|5.623160|4.957510|5.672214|8.916267|17.754906|8.965567|54.772121|27.778221|6.919814|5.776825|4.605103|3.482299|2.760556|4.552612|2.512373|2.998896|2.573190|3.039407|3.695933|0.041766|0.043550|0.059473|0.079077|0.071498|0.114395|0.107771|0.213544|0.500000| |1.613921|1.732879|1.982520|2.103856|1.897591|1.675090|1.524226|2.775532|2.486257|4.379483|2.564009|3.190695|6.285187|4.544938|4.102283|4.888381|6.000065|5.626199|4.502302|3.995161|24.638726|43.808488|9.768380|7.872802|12.287215|17.501416|8.874419|12.505420|5.827357|6.910737|2.894162|3.505549|4.267948|0.041130|0.046032|0.053334|0.067717|0.065741|0.081863|0.123427|0.154190|0.109625|0.500000| |1.437205|1.525685|1.716371|1.817792|1.670896|1.493125|1.378346|2.518799|2.262007|3.707011|2.186985|2.646081|5.133925|3.793421|3.387220|4.099217|5.384661|5.214947|3.944279|3.357071|21.131409|49.245208|13.899154|8.396711|12.445201|17.651928|8.876443|10.167577|5.039662|5.652977|2.471161|3.034615|3.554664|0.036945|0.040657|0.047235|0.057938|0.057588|0.069544|0.105627|0.163240|0.099303|0.299381|0.500000| |1.420118|1.531082|1.717731|1.768729|1.601586|1.446748|1.321575|2.377883|2.187677|3.562759|2.018396|2.371471|4.665640|3.247682|2.713137|3.084560|3.499437|3.347753|2.882220|2.646165|17.820426|28.404968|6.974735|5.843545|7.721444|8.870099|17.604301|16.922150|5.881733|5.014894|2.542967|3.170579|3.690440|0.036621|0.041403|0.044403|0.053349|0.052559|0.060258|0.083335|0.096474|0.074595|0.217169|0.209682|0.500000| |1.399593|1.503310|1.682587|1.738962|1.582002|1.429523|1.310018|2.362232|2.168160|3.500918|1.995647|2.350733|4.693972|3.188943|2.660087|3.147310|3.605749|3.278916|2.737059|2.525499|16.774972|33.129750|8.126511|6.996793|9.600917|8.886158|17.507472|16.544622|7.295852|5.874428|2.472940|3.103539|3.533166|0.036122|0.040588|0.044001|0.052087|0.052868|0.058661|0.087804|0.094772|0.069781|0.174047|0.217930|0.299965|0.500000| |1.800031|1.997420|2.305531|2.339877|2.036887|1.813152|1.607453|2.855213|2.641745|4.830148|2.621028|3.122852|6.800567|3.866463|3.015017|3.546502|3.487942|2.935282|2.608154|2.639703|17.736113|28.357022|5.838665|6.950351|7.717297|5.021951|5.886687|16.903513|17.623410|8.883755|3.548148|4.479005|5.158960|0.045730|0.054058|0.055355|0.065519|0.068521|0.069185|0.108664|0.077140|0.064552|0.130881|0.110358|0.132267|0.147898|0.500000| |1.585909|1.724307|1.952677|2.007512|1.796244|1.612156|1.457156|2.611750|2.403059|4.083941|2.287988|2.714037|5.701751|3.499592|2.816592|3.414312|3.591257|3.020897|2.582182|2.518894|16.715358|33.003309|6.979833|8.082325|9.564254|5.865500|7.297202|16.544212|17.512070|8.875518|2.909621|3.680137|4.135491|0.040653|0.046553|0.049527|0.057977|0.061068|0.063127|0.103030|0.082084|0.064235|0.134031|0.132305|0.147962|0.218649|0.299810|0.500000| |1.854948|2.009075|2.333642|2.491489|2.211635|1.927399|1.728598|3.136502|2.799522|5.294521|3.071976|3.917282|8.833299|4.950941|4.055917|5.485669|5.324536|3.923976|3.289824|3.333263|20.932302|48.968196|8.368735|13.801391|12.421379|5.656599|5.044265|10.158118|8.882517|17.659269|3.409380|4.179137|4.872144|0.046821|0.053027|0.061845|0.075398|0.082328|0.084950|0.187817|0.099612|0.077924|0.141398|0.127327|0.110326|0.132673|0.209580|0.217983|0.500000| 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