Version2.4 2021-05-25T23:07:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(ccc1N2C(=O)[C@@H]3[C@@H]4CCC[NH+]4[C@@]5([C@@H]3C2=O)c6cc(ccc6NC5=O)Br)[N+](=O)[O-] C09210439 RHF 6-31G(d) (6D,7F) c1cc(ccc1N2C(=O)[C@@H]3[C@@H]4CCC[NH+]4[C@@]5([C@@H]3C2=O)c6cc(ccc6NC5=O)Br)[N+](=O)[O-] C01[X(C22H18Br1N4O5)] 144 C1 531 Brc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2[NH+]1CCC2)c1ccc(cc1)[N+](=O)[O-] Brc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2[NH+]1CCC2)c1ccc(cc1)[N+](=O)[O-] [O-][N+](=O)c1ccc(cc1)N2C(=O)[C@@H]3[C@@H]4CCC[NH+]4[C@]5([C@@H]3C2=O)C(=O)Nc6ccc(Br)cc56 InChIKey=SQZXOKMELVCJJJ-RQXXJAGISA-O InChI=1S/C22H17BrN4O5/c23-11-3-8-15-14(10-11)22(21(30)24-15)18-17(16-2-1-9-25(16)22)19(28)26(20(18)29)12-4-6-13(7-5-12)27(31)32/h3-8,10,16-18H,1-2,9H2,(H,24,30)/p+1/t16-,17+,18-,22+/m0/s1 InChI=1/C22H17BrN4O5/c23-11-3-8-15-14(10-11)22(21(30)24-15)18-17(16-2-1-9-25(16)22)19(28)26(20(18)29)12-4-6-13(7-5-12)27(31)32/h3-8,10,16-18H,1-2,9H2,(H,24,30)/p+1/t16-,17+,18-,22+/m0/s1/fC22H18BrN4O5/h24-25H/q+1 c1cc(ccc1N2C(=O)[C@@H]3[C@@H]4CCC[NH+]4[C@@]5([C@@H]3C2=O)c6cc(ccc6NC5=O)Br)[N+](=O)[O-] C01[X(C22H18Br1N4O5)] 144 C01 531 Brc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2[NH+]1CCC2)c1ccc(cc1)[N+](=O)[O-] Br[C]1[CH][CH][C]2[C]([CH]1)[C@@]1(C(=O)N2)[N@H]2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O] [O]N([O])[C]1[CH][CH][C]([CH][CH]1)N2C(=O)[C@@H]3[C@@H]4CCC[NH]4[C@]5([C]6[CH][C](Br)[CH][CH][C]6NC5=O)[C@@H]3C2=O InChIKey=VVSVXMRRJHXMGC-RQXXJAGISA-N InChI=1S/C22H18BrN4O5/c23-11-3-8-15-14(10-11)22(21(30)24-15)18-17(16-2-1-9-25(16)22)19(28)26(20(18)29)12-4-6-13(7-5-12)27(31)32/h3-8,10,16-18,25H,1-2,9H2,(H,24,30)/t16-,17+,18-,22+/m0/s1 InChI=1/C22H18BrN4O5/c23-11-3-8-15-14(10-11)22(21(30)24-15)18-17(16-2-1-9-25(16)22)19(28)26(20(18)29)12-4-6-13(7-5-12)27(31)32/h3-8,10,16-18,25H,1-2,9H2,(H,24,30)/t16-,17+,18-,22+/m0/s1/f/h24H 3779.4979016386 -4005.3029854 1-A 17521.8008 126 405 531 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.16835 -64.57969 -58.71928 -58.71727 -58.71714 -20.70849 -20.70157 -20.69383 -20.67386 -20.67358 -15.92915 -15.86303 -15.76670 -15.76316 -11.52773 -11.52007 -11.51026 -11.49067 -11.46541 -11.45418 -11.43821 -11.42971 -11.41503 -11.41499 -11.41265 -11.39890 -11.39608 -11.39401 -11.39296 -11.39018 -11.38375 -11.37658 -11.35939 -11.35826 -11.35806 -11.35695 -9.82802 -7.57753 -7.56820 -7.56809 -3.31664 -3.31212 -3.31203 -3.30112 -3.30111 -1.70854 -1.58273 -1.57836 -1.55722 -1.51024 -1.49294 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429.4967 438.3568 458.9655 472.6395 496.5614 526.3967 548.4193 573.4587 577.8892 585.7699 591.7858 602.8757 620.1003 651.5779 673.8216 678.7154 690.9265 697.8051 741.5590 751.2779 756.0124 766.3950 798.9342 806.5619 834.5156 847.8851 855.8488 867.0764 875.5837 906.5316 936.0979 948.7014 952.3901 959.3225 962.2710 973.8854 974.5475 995.1072 1003.6212 1025.1273 1046.7722 1066.9017 1083.4381 1106.6325 1111.2461 1116.3558 1119.2260 1121.4302 1124.5277 1125.5153 1146.9894 1178.5643 1197.6437 1198.6629 1222.0603 1226.9629 1235.1633 1249.2195 1267.4650 1293.2143 1295.1719 1307.0361 1312.5253 1322.0206 1336.9222 1349.5249 1362.4676 1375.2696 1386.7271 1407.1718 1420.1547 1442.2781 1454.6741 1456.5383 1465.3603 1476.8686 1489.8324 1492.0754 1516.7117 1519.7054 1533.1763 1541.5289 1546.3354 1577.4840 1592.2895 1609.0756 1638.6947 1644.7046 1646.9673 1652.1816 1665.8811 1686.2562 1783.9206 1785.3636 1809.5204 1816.7720 1881.5073 2009.1044 2009.7978 2078.7507 3239.2004 3263.3225 3281.8484 3295.9229 3312.8102 3328.6759 3333.8829 3360.8764 3366.4005 3394.0001 3410.8774 3413.2953 3416.1187 3444.4812 3444.7187 3455.9437 3708.5745 3857.4799 7.6116 8.3675 6.8819 7.6041 8.3198 6.8546 5.8956 3.5681 6.2844 8.4788 8.0473 9.7440 6.8174 5.6437 6.0233 8.4682 4.1979 4.9097 4.7373 8.4548 8.7384 6.7776 6.4298 4.3818 4.1890 5.0656 5.4373 6.8250 2.9336 7.6154 3.7193 2.3996 4.0875 4.8879 4.1289 6.2983 2.4654 2.1015 3.3558 4.1007 4.0572 5.9270 7.2254 6.4335 5.4616 6.9878 6.1170 3.7139 4.5670 4.7106 4.5585 4.5510 5.7111 4.7121 4.1204 3.6554 1.2655 1.4694 2.8053 3.5536 4.9902 2.6408 2.4299 2.2366 2.2685 4.6699 1.4751 2.2727 3.5097 1.4705 2.4160 1.7466 1.9710 1.4682 3.0977 2.5027 2.4534 2.6044 2.5622 1.9500 2.8669 2.6614 2.8854 3.1007 2.8478 3.1623 1.4906 1.3814 2.9291 2.0741 1.3867 2.0742 3.8102 1.3814 1.7997 1.5151 1.5512 1.3852 1.4546 1.3206 2.5617 1.4211 1.3888 1.3461 1.5300 1.4895 1.6528 2.0782 3.7383 3.0866 1.7068 1.9902 1.1078 9.2983 1.0952 2.5270 1.1088 2.6806 6.1942 7.8922 5.5471 6.3251 12.4371 11.0669 12.6532 12.6736 1.0705 1.0867 1.0628 1.0639 1.0970 1.1058 1.0901 1.0907 1.1126 1.0928 1.0932 1.0927 1.0961 1.0955 1.0952 1.0936 1.0787 1.0811 0.0013 0.0028 0.0041 0.0079 0.0128 0.0139 0.0133 0.0096 0.0354 0.0783 0.0890 0.1394 0.1111 0.0981 0.1366 0.2046 0.1637 0.1971 0.2102 0.3886 0.4219 0.3917 0.4905 0.3384 0.3900 0.4794 0.5910 0.7727 0.3641 1.0023 0.5403 0.3918 0.7243 0.9471 0.8124 1.2733 0.5087 0.4500 0.7603 1.0258 1.0854 1.6087 2.0322 1.8457 1.7695 2.3238 2.0599 1.2853 1.7175 1.8055 1.8704 1.9277 2.4647 2.0873 1.8611 1.7699 0.6534 0.7792 1.4992 1.9268 2.7225 1.4757 1.3597 1.3049 1.3462 2.8914 0.9523 1.5242 2.4273 1.0610 1.7578 1.2825 1.4547 1.0879 2.3080 1.8680 1.9017 2.1314 2.1653 1.6507 2.5226 2.3606 2.5936 2.8509 2.6954 3.1159 1.4733 1.3904 2.9731 2.1358 1.4604 2.2257 4.1672 1.5394 2.0390 1.7676 1.8433 1.6977 1.8135 1.6506 3.2410 1.8262 1.8162 1.7656 2.0737 2.0267 2.2891 2.9097 5.2666 4.5255 2.5496 3.0360 1.7526 14.8194 1.7503 4.0642 1.8130 4.4909 11.6141 14.8218 10.7015 12.3004 25.9407 26.3196 30.1130 32.2666 6.6180 6.8186 6.7445 6.8094 7.0930 7.2188 7.1387 7.2589 7.4291 7.4168 7.4931 7.5003 7.5364 7.6579 7.6570 7.6957 8.7411 9.4785 0.2649 0.1549 0.4050 2.3117 0.7552 0.5190 0.2783 0.8539 1.6498 4.6713 1.8747 4.9929 1.1490 4.7373 3.3542 5.9278 0.6847 7.7245 4.6596 5.1303 2.8041 3.1010 0.6373 0.6350 7.1491 6.9609 5.8398 12.5201 0.2842 25.6671 4.8668 21.4390 3.6136 1.1935 26.3525 1.9390 53.3649 43.3792 34.8476 24.3630 11.7741 20.0081 1.8663 1.0133 27.6009 3.7153 2.1890 11.8687 3.5773 18.1261 13.1318 54.9103 6.2075 15.0149 17.6784 26.6382 0.8996 38.3246 11.0155 4.1859 60.1144 20.6822 13.5389 6.6222 0.8616 13.0011 9.0972 4.9774 8.7723 3.8156 5.9696 12.4034 10.8421 2.0402 20.6010 17.6352 2.9560 22.0915 24.2506 9.2277 46.6153 8.6879 8.2562 8.0354 18.1114 18.6433 11.2757 8.8849 29.1568 54.8479 0.8342 5.5616 214.5664 6.0567 25.9006 12.1544 2.0817 46.1619 54.9222 4.8813 124.1629 30.9357 3.5385 1.7035 7.5295 35.5744 142.9969 12.1785 373.7619 0.4293 69.5030 29.9748 4.3308 384.0278 8.8455 157.3424 5.0783 29.7970 6.0742 56.5733 42.8554 82.2741 415.4212 214.1162 1141.8726 39.8462 14.7537 1.1999 6.7386 3.7184 2.4979 5.4168 3.4561 0.3720 4.1743 1.5640 2.6041 5.2003 0.2693 5.4555 5.2159 0.3883 67.4021 169.4434 3.0681 5.1257 2.7098 3.3667 0.4763 1.2099 1.1380 0.6993 1.2810 0.6575 1.8030 0.4252 0.6237 1.0186 1.5178 3.4865 1.0656 3.3062 0.8718 0.9788 2.4602 5.4850 0.8885 1.7644 1.4086 0.7149 2.5345 1.2215 0.3551 0.9953 0.2798 1.4190 0.4235 2.2589 1.2962 0.6714 1.1804 2.7408 0.7666 1.3410 1.2564 2.4144 8.1362 5.7355 1.7125 5.5978 17.6879 0.0816 1.7219 1.3688 1.0203 2.4828 4.3986 2.8785 3.9132 3.3205 1.8659 2.0207 2.8839 11.5215 8.1672 7.2717 2.3918 5.3425 1.8099 3.1982 0.6873 5.9632 3.0425 2.0297 0.6374 1.5878 0.7046 0.6404 1.0241 3.0655 3.0757 10.4577 4.7211 1.0852 2.2255 2.3424 8.6716 37.0233 2.3549 23.6296 1.3474 2.2917 0.9389 2.1672 8.9926 19.8136 6.5688 8.1228 1.4880 3.6606 7.4857 1.2502 2.1176 0.5955 1.7671 0.8394 1.8490 2.8884 2.5423 4.6723 10.6197 8.6469 36.4456 0.5105 5.7520 13.0918 11.5528 103.2632 7.1696 7.4293 3.2872 4.2594 22.0788 1.4640 166.4225 32.3990 0.6908 17.7943 2.1928 28.5383 106.1999 48.5562 89.8351 51.9222 88.6150 57.2304 56.5784 76.9913 34.7294 93.7146 42.9346 50.6674 143.7412 92.7834 55.0569 34.8949 33.6287 119.6256 0.7413 0.7499 0.7487 0.7400 0.7223 0.7480 0.7365 0.7314 0.6544 0.6815 0.7020 0.6910 0.5014 0.7314 0.0941 0.6939 0.5391 0.3290 0.7277 0.2174 0.1829 0.3503 0.6021 0.6087 0.7190 0.7479 0.5965 0.6150 0.5642 0.4426 0.7499 0.7461 0.5862 0.7364 0.7104 0.6203 0.2530 0.1284 0.6739 0.2624 0.6656 0.1003 0.4591 0.2114 0.6010 0.1651 0.0479 0.3955 0.5650 0.5390 0.5943 0.7119 0.0348 0.6378 0.5085 0.5091 0.7043 0.4920 0.3486 0.0853 0.1697 0.0631 0.3580 0.0916 0.2911 0.2021 0.6959 0.4937 0.5215 0.7498 0.7495 0.6920 0.6970 0.6364 0.7488 0.6879 0.7321 0.1903 0.3096 0.4886 0.7480 0.3165 0.4969 0.1760 0.7337 0.1417 0.7493 0.7494 0.6354 0.2545 0.6025 0.1471 0.5166 0.3904 0.6737 0.6979 0.3675 0.3443 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0.5122 0.8236 0.8365 0.8491 0.8571 0.8353 0.7643 0.8500 0.7378 0.3984 0.5062 0.5167 0.8238 0.7524 0.5845 0.8435 0.3201 0.7853 0.1349 0.8338 0.2208 0.7906 0.8571 0.6239 0.8432 0.8495 0.5256 0.8209 0.5306 0.3403 0.4265 0.2876 0.4723 0.3812 0.8569 0.5094 0.4109 0.6779 0.5984 0.4956 0.6170 0.3693 0.2804 0.4573 0.3634 0.4215 0.3816 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 7 6 8 6 1 6 1 6 6 6 7 1 6 6 1 6 8 6 6 6 6 6 6 7 6 8 35 7 8 8 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 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 78.91834 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 11688.3109 24329.2046 31575.4832 0.99942 -0.03357 -0.00537 0.03339 0.99894 -0.03161 0.00643 0.03142 0.99949 1 0.00741 0.00356 0.00274 0.15441 0.07418 0.05716 24.48 34.14 45.75 60.41 73.45 84.32 88.98 97.26 140.63 180.13 197.11 224.20 239.28 247.16 282.25 291.34 370.12 375.58 394.87 401.84 411.87 450.62 517.71 520.87 571.96 576.65 617.95 630.70 660.35 680.02 714.44 757.37 789.05 825.08 831.45 842.79 851.45 867.40 892.19 937.48 969.48 976.52 994.09 1003.99 1066.94 1080.92 1087.73 1102.67 1149.49 1160.46 1200.68 1219.92 1231.38 1247.53 1259.77 1304.30 1346.84 1364.97 1370.28 1380.25 1384.49 1401.20 1402.16 1431.74 1443.99 1474.93 1506.07 1535.03 1558.83 1592.20 1598.84 1606.19 1610.32 1613.49 1617.94 1619.37 1650.26 1695.69 1723.14 1724.61 1758.27 1765.33 1777.12 1797.35 1823.60 1860.65 1863.46 1880.53 1888.43 1902.09 1923.53 1941.67 1960.29 1978.71 1995.19 2024.61 2043.29 2075.12 2092.95 2095.63 2108.33 2124.88 2143.54 2146.76 2182.21 2186.52 2205.90 2217.92 2224.83 2269.65 2290.95 2315.10 2357.72 2366.36 2369.62 2377.12 2396.83 2426.15 2566.66 2568.74 2603.50 2613.93 2707.07 2890.65 2891.65 2990.86 4660.49 4695.19 4721.85 4742.10 4766.40 4789.22 4796.71 4835.55 4843.50 4883.21 4907.49 4910.97 4915.03 4955.84 4956.18 4972.33 5335.81 5550.05 0.414438 0.438315 0.439259 0.357111 -4004.888547 -4004.864670 -4004.863726 -4004.945874 2.755257D-04 MUNgauss RevisionA2.1 retrievium 25-May-2021 DUDE c1cc(ccc1N2C(=O)[C@@H]3[C@@H]4CCC[NH+]4[C@@]5([C@@H]3C2=O)c6cc(ccc6NC5=O)Br)[N+](=O)[O-] C09210439 RHF 6-31G(d) (6D,10F) C1 497.046056 |X|Y|Z| 69.456264 106.438089 36.998808 64.913059 25 6 7 22 3 |36.858105| |13.784435|36.858105| |8.012108|13.792482|36.858105| |6.846654|7.877253|13.795904|36.858105| |7.899833|6.846430|8.012183|13.782108|36.858105| |13.754013|7.965234|6.976590|7.965479|13.756886|36.858105| |7.832097|5.149954|4.573540|5.143993|7.811982|13.277917|53.358707| |5.322362|3.995275|3.755811|4.331661|6.198572|7.648172|18.654254|36.858105| |4.755274|3.820323|3.760861|4.471659|6.216906|6.591297|11.309900|16.132407|73.516695| |4.056065|3.174316|2.956658|3.279692|4.281364|5.089192|11.012078|12.536328|14.046071|36.858105| |3.584911|2.881432|2.681694|2.922784|3.663255|4.261146|8.218610|8.947175|12.618602|17.671306|0.500000| |3.289587|2.711274|2.619238|2.962392|3.769694|4.090298|7.716280|7.379465|10.516886|12.275798|0.244717|36.858105| |2.837584|2.392586|2.318979|2.590163|3.183884|3.401387|6.045987|5.734920|8.991611|8.842335|0.234517|17.711385|0.500000| |3.220061|2.733227|2.749963|3.242915|4.161441|4.133214|7.135660|6.436555|10.333193|7.096995|0.155426|12.352987|0.243139|36.858105| |2.861442|2.482501|2.499250|2.889348|3.543352|3.514706|5.754525|4.545076|7.219277|5.079364|0.115960|7.817639|0.176004|12.436755|36.858105| |3.093854|2.621038|2.554959|2.866341|3.523903|3.725280|6.349169|4.650657|6.875964|5.536098|0.121713|7.780907|0.165554|7.995450|12.532932|36.858105| |3.101956|2.573373|2.452386|2.705201|3.342442|3.692304|6.719495|5.317391|7.560367|7.761515|0.167454|12.353979|0.251077|7.819830|8.102172|12.652245|53.358707| |2.669485|2.266113|2.173306|2.378629|2.859658|3.096018|5.362971|4.294472|6.453640|5.996103|0.144787|9.177590|0.245822|6.474222|7.184762|9.377018|25.736372|0.500000| |3.351253|2.714670|2.493295|2.658292|3.248788|3.814618|7.099198|5.207829|7.135693|7.730626|0.173464|7.655233|0.175594|5.183169|5.057253|7.309519|17.099742|0.256477|36.858105| |4.355985|3.317251|2.965955|3.159873|4.018652|5.106265|11.033998|7.915426|9.541180|12.443431|0.240903|7.709598|0.166841|5.278729|4.533220|5.736865|10.844435|0.165468|12.375574|36.858105| |4.217402|3.232353|2.822516|2.914536|3.576717|4.583790|8.964223|6.406078|8.397742|8.710357|0.219936|5.670545|0.136955|4.133039|3.619744|4.380893|7.841267|0.133314|8.839812|17.570833|0.500000| |6.252346|4.357289|3.769484|4.001374|5.323912|7.687612|18.745530|8.229948|9.831120|7.905926|0.161648|5.762222|0.124660|4.884935|4.311443|5.364202|7.984685|0.125605|7.201025|12.452851|0.252110|36.858105| |6.200015|4.478721|3.783569|3.853243|4.803038|6.631431|11.342095|5.531432|7.486649|5.363044|0.120015|4.453149|0.101002|4.005044|3.824528|4.870917|6.676325|0.109929|6.062317|7.837219|0.187997|16.096853|73.516695| |3.093068|2.568535|2.344005|2.443267|2.883790|3.352499|5.725572|3.894593|5.609662|4.889482|0.117175|4.903742|0.119335|3.937185|4.193903|6.158832|10.008976|0.180102|12.549585|7.145977|0.174695|5.851723|10.619581|36.858105| |3.151081|2.660727|2.433100|2.516198|2.922049|3.358088|5.425663|3.499181|5.138089|4.007977|0.095536|4.044245|0.097483|3.572543|3.962314|5.784065|7.620892|0.137161|7.167301|5.459477|0.134487|5.464425|11.358631|13.772072|36.858105| |2.699002|2.355088|2.158147|2.192349|2.464420|2.779220|4.281484|2.806714|4.262485|3.134788|0.077843|3.153649|0.079122|2.853983|3.159208|4.212450|5.560484|0.106700|4.934578|4.016212|0.105571|4.027885|8.355640|7.999252|13.745565|36.858105| |2.378989|2.092523|1.916661|1.936713|2.159146|2.426649|3.741025|2.529647|3.892080|2.875034|0.073709|2.877428|0.074536|2.551340|2.770709|3.543134|4.969739|0.099443|4.475611|3.614342|0.099163|3.424987|6.757831|6.887867|7.893403|13.757223|36.858105| |2.352791|2.046283|1.871291|1.901283|2.141184|2.422202|3.829788|2.663552|4.080384|3.146654|0.082252|3.132938|0.082795|2.666691|2.835458|3.605548|5.455053|0.111994|5.182038|3.987120|0.112233|3.507709|6.579649|7.856772|6.781063|7.908946|13.729137|36.858105| |2.634995|2.237509|2.042587|2.102010|2.422815|2.778846|4.588344|3.235001|4.829045|4.038886|0.104110|4.012729|0.104868|3.232319|3.386769|4.481938|7.411197|0.150211|8.099214|5.404845|0.149370|4.349104|7.803261|13.687972|7.948061|6.971875|8.057377|13.850326|36.858105| |2.528739|2.144051|1.965770|2.034934|2.355933|2.692463|4.515725|3.359046|5.054250|4.418908|0.120360|4.347492|0.119864|3.317964|3.329653|4.165678|7.578632|0.161685|8.123818|5.586899|0.161504|4.098945|6.867091|8.314013|5.307464|4.622130|5.142745|7.655989|13.599714|53.358707| |2.783602|2.318707|2.137577|2.251534|2.670390|3.065381|5.389437|4.211170|6.172215|6.184073|0.168414|6.107888|0.169834|4.179573|4.002528|4.997267|10.657698|0.222115|12.224285|7.630122|0.205695|4.856790|7.539164|7.979415|5.063084|4.077168|4.129526|5.292168|8.376386|19.310986|36.858105| |2.620486|2.203994|2.054411|2.180195|2.580840|2.910319|5.070336|4.229772|6.416887|6.355823|0.195481|6.386588|0.203005|4.246323|3.863644|4.411743|9.189415|0.201834|7.837825|6.386550|0.174980|4.230754|6.413694|5.388562|3.896807|3.256182|3.294927|4.045783|5.554865|11.344718|15.983751|73.516695| |2.522588|2.285356|2.121799|2.131438|2.322918|2.548402|3.710574|2.403448|3.747347|2.547372|0.063638|2.569430|0.064708|2.455201|2.736508|3.426461|4.256093|0.081845|3.468381|3.078881|0.081049|3.295817|6.972407|4.618877|6.720132|10.086947|6.703606|4.593355|4.122522|4.315330|2.935630|4.426647|2539.412838| |5.131871|7.780322|13.036201|7.783682|5.132566|4.544510|4.608341|2.928781|5.285332|2.412332|0.061972|2.189215|0.054891|2.303092|2.135573|2.164646|2.820762|0.051939|2.098803|2.419250|0.064736|2.938050|5.314319|2.005598|2.091295|1.899745|1.705534|1.657524|1.780417|2.333259|1.838382|3.155374|64.851329|53.358707| |4.692263|7.109557|8.394248|5.433343|4.100517|3.923708|4.140684|2.636868|4.699232|2.224127|0.057725|2.008199|0.050745|2.073026|1.938129|1.989529|2.618400|0.048510|1.978715|2.268506|0.061727|2.724387|5.004534|1.914572|1.999952|1.842234|1.666196|1.615671|1.718915|2.248298|1.751616|2.997863|63.281562|21.767995|73.516695| |4.100364|5.431701|8.393891|7.113913|4.693876|3.924328|4.139827|2.714556|4.986562|2.254873|0.058082|2.091772|0.052762|2.243780|2.090999|2.078932|2.682839|0.049741|1.960184|2.223094|0.058990|2.643061|4.730267|1.868716|1.945899|1.772505|1.595157|1.551081|1.663640|2.187357|1.726135|2.981346|60.784898|21.760174|15.991204|73.516695| |17.763423|8.948386|5.682797|4.941882|5.630348|8.900493|9.778334|5.018131|7.697379|4.092489|0.102106|3.237370|0.078283|3.039072|2.728419|3.027160|4.248999|0.074890|3.532724|4.675494|0.132641|6.634923|12.142587|3.304870|3.333911|2.871137|2.553704|2.540401|2.844311|3.706145|2.960823|4.893883|89.609114|5.667818|7.179818|6.054702|0.500000| |8.897898|17.791339|8.939032|5.632855|4.944117|5.652336|5.673255|3.362856|5.721996|2.791941|0.071715|2.403164|0.059786|2.391533|2.204480|2.341432|3.150886|0.057347|2.473308|2.962600|0.082108|3.749341|7.020475|2.385665|2.480439|2.245103|2.016355|1.964541|2.116262|2.754317|2.152722|3.632681|75.008482|9.784695|14.233757|8.840944|0.214480|0.500000| |4.944277|5.633214|8.942002|17.791564|8.895703|5.652202|5.665354|3.727456|7.029319|2.920327|0.073180|2.728639|0.067216|3.062224|2.762292|2.668099|3.388348|0.061651|2.399167|2.770591|0.070970|3.363926|5.769916|2.215197|2.282509|2.010950|1.786663|1.752264|1.924170|2.543415|2.060087|3.573709|67.218304|9.792917|8.846743|14.253499|0.107437|0.124361|0.500000| |5.629525|4.942350|5.685138|8.954977|17.769482|8.897133|9.732591|6.562559|12.366415|4.532738|0.106463|4.208063|0.097780|5.008988|4.103457|3.860564|4.894232|0.085355|3.324367|4.009950|0.096541|4.996946|7.766580|2.888987|2.892087|2.422074|2.127232|2.122990|2.420585|3.232544|2.731203|4.750828|77.071468|5.670927|6.056887|7.186011|0.123891|0.107445|0.214626|0.500000| |3.760599|3.161753|3.232794|3.964446|5.393569|5.131483|8.745885|7.716585|12.521504|6.901124|0.147108|8.717211|0.175872|17.632880|8.863162|6.807944|8.490830|0.140378|4.727177|5.259060|0.114677|5.435833|7.821024|3.720792|3.502195|2.799916|2.467024|2.533512|3.024483|4.137027|3.727528|6.591621|83.862489|3.594036|4.151776|4.569350|0.095410|0.075076|0.102916|0.193968|0.500000| |2.865963|2.492198|2.541775|2.997647|3.722325|3.591587|5.882965|5.443672|9.719343|5.786144|0.140784|8.773475|0.225374|17.627636|8.677807|5.704160|7.892140|0.148000|4.178451|4.270478|0.098314|3.932649|5.870789|3.284283|2.989606|2.473179|2.257149|2.370028|2.817640|4.015090|3.652391|6.882641|73.576866|2.949214|3.468953|3.798328|0.075026|0.061075|0.080393|0.125073|0.304410|0.500000| |2.816842|2.496842|2.568254|3.011885|3.631024|3.453876|5.346394|4.054236|6.640471|4.187971|0.097501|5.627275|0.131651|8.695950|17.616376|8.795193|7.811210|0.143877|4.115968|3.843766|0.087634|3.906202|6.385406|3.634299|3.625133|2.966887|2.573305|2.567625|2.969799|3.895090|3.312173|5.658450|91.550656|3.008532|3.536192|3.893816|0.073350|0.061418|0.081451|0.118565|0.220554|0.194999|0.500000| |2.476938|2.180677|2.192643|2.494856|2.969926|2.952510|4.744583|3.804933|6.216654|4.369351|0.105565|6.648537|0.172372|8.743440|17.552852|8.841170|9.576574|0.204249|4.524712|3.909293|0.090008|3.580846|5.737213|3.836668|3.561411|2.941301|2.652874|2.749892|3.249046|4.438377|3.872106|6.816970|86.620351|2.596795|3.105801|3.336727|0.066369|0.054543|0.066964|0.093846|0.174258|0.215958|0.302442|0.500000| |3.624830|3.017003|2.921468|3.289079|4.132168|4.449783|7.610178|5.081960|7.291260|5.584457|0.119210|6.692415|0.139408|7.026338|8.807956|17.643736|12.289569|0.182581|6.988690|6.195267|0.128955|6.685023|11.128541|6.232158|6.446487|4.492846|3.608044|3.553099|4.339808|5.305089|4.554742|7.046345|127.353168|3.304631|3.944161|4.105339|0.097524|0.073884|0.083481|0.123690|0.195796|0.140440|0.214835|0.173341|0.500000| 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