Version2.4
2021-05-28T22:18:06Z
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 COc1cccc2c1oc(c2)C(=O)C3=C(C(=O)N([C@H]3c4cccc(c4)Br)c5ccccn5)[O-] C39848760
RHF
6-31G(d)
(6D,7F)
COc1cccc2c1oc(c2)C(=O)C3=C(C(=O)N([C@H]3c4cccc(c4)Br)c5ccccn5)[O-]
C01[X(C25H16Br1N2O5)]
141
C1
542
COc1cccc2c1oc(c2)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)Br)c1ccccn1
COc1cccc2c1oc(c2)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)Br)c1ccccn1
COc1cccc2cc(oc12)C(=O)C3=C([O-])C(=O)N([C@H]3c4cccc(Br)c4)c5ccccn5
InChIKey=AYQDACGEZMRHDC-NRFANRHFSA-M
InChI=1S/C25H17BrN2O5/c1-32-17-9-5-7-15-13-18(33-24(15)17)22(29)20-21(14-6-4-8-16(26)12-14)28(25(31)23(20)30)19-10-2-3-11-27-19/h2-13,21,30H,1H3/p-1/t21-/m0/s1
InChI=1/C25H17BrN2O5/c1-32-17-9-5-7-15-13-18(33-24(15)17)22(29)20-21(14-6-4-8-16(26)12-14)28(25(31)23(20)30)19-10-2-3-11-27-19/h2-13,21,30H,1H3/p-1/t21-/m0/s1/fC25H16BrN2O5/h30h/q-1
COc1cccc2c1oc(c2)C(=O)C3=C(C(=O)N([C@H]3c4cccc(c4)Br)c5ccccn5)[O-]
C01[X(C25H16Br1N2O5)]
141
C01
542
COc1cccc2c1oc(c2)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)Br)c1ccccn1
CO[C]1[CH][CH][CH][C]2[C]1OC(=[CH]2)[C]([C]1[C](=O)C(=O)N([C@H]1[C]1[CH][CH][CH][C]([CH]1)Br)[C]1[CH][CH][CH][CH][N]1)=O
CO[C]1[CH][CH][CH][C]2C=C(O[C]12)C(=O)[C]3[C@H]([C]4[CH][CH][CH][C](Br)[CH]4)N([C]5[CH][CH][CH][CH][N]5)C(=O)C3=O
InChIKey=PLEFKHNIHDVCKQ-NRFANRHFSA-N
InChI=1S/C25H16BrN2O5/c1-32-17-9-5-7-15-13-18(33-24(15)17)22(29)20-21(14-6-4-8-16(26)12-14)28(25(31)23(20)30)19-10-2-3-11-27-19/h2-13,21H,1H3/t21-/m0/s1
InChI=1/C25H16BrN2O5/c1-32-17-9-5-7-15-13-18(33-24(15)17)22(29)20-21(14-6-4-8-16(26)12-14)28(25(31)23(20)30)19-10-2-3-11-27-19/h2-13,21H,1H3/t21-/m0/s1
3821.8962519743
-4009.1516476
1-A
15821.9099
128
414
542
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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9.44935
-6.1374 3.2838 -15.1913
16.7101
|XX|YY|ZZ|XY|XZ|YZ|
-219.6793 -211.4123 -258.4426 -1.4986 -9.2245 -6.7267
|XX|YY|ZZ|XY|XZ|YZ|
10.1654 18.4324 -28.5979 -1.4986 -9.2245 -6.7267
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
18.5481 -60.6441 -298.0597 -8.6322 -14.7529 -101.9804 -70.7809 9.0919 -37.3682 -10.1857
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-10660.9939 -5466.5023 -5093.5749 -245.7865 -53.3179 -320.5286 -38.1301 -262.9700 204.0104 -2562.7628 -2709.6716 -1549.4409 -231.6626 -26.4157 -205.2551
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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 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
14.7082 18.9198 24.2136 37.4668 46.2732 47.6695 63.0065 64.7146 74.3256 90.6127 107.9292 120.6167 144.9677 174.5937 196.3001 202.2441 211.9588 246.3908 255.4464 266.0921 267.5309 303.2498 313.6126 324.2669 348.3237 352.3393 357.7264 358.2371 376.6443 390.5085 424.7806 463.2852 467.6876 496.5137 520.5931 556.3204 573.3650 592.2592 606.5362 612.4975 625.4264 653.7103 677.6066 681.0560 681.9441 698.5577 714.5099 729.0464 760.7999 769.0137 808.4422 812.5111 833.0817 841.8553 851.6726 865.4810 871.7234 893.6531 903.9017 916.5285 934.7670 946.3084 953.9718 968.0233 973.1012 993.6311 1035.9096 1043.6685 1045.6542 1070.5646 1083.4696 1084.9145 1092.2207 1093.0766 1111.8607 1128.2073 1145.3104 1157.7269 1167.0570 1178.2011 1190.9617 1203.4395 1223.2363 1230.0387 1232.7554 1240.6527 1257.0986 1276.4556 1295.3595 1302.5298 1313.6275 1316.3977 1326.7893 1331.6516 1353.9448 1365.3606 1384.9844 1409.3997 1415.8824 1439.2524 1440.6176 1448.1983 1475.7361 1491.1500 1526.8107 1561.1997 1601.4645 1603.7917 1607.8632 1627.7794 1645.4668 1649.8998 1659.1735 1661.2358 1667.8086 1764.8466 1772.2887 1774.3531 1785.0524 1795.3425 1803.9141 1807.0683 1817.5057 1950.2753 1985.9135 3200.7906 3259.1564 3322.9650 3326.1234 3344.9420 3350.1897 3354.4634 3358.2016 3377.6648 3386.4220 3394.3104 3395.3848 3407.7853 3408.6977 3471.8232 3480.5511
8.5309 5.3856 7.1800 6.3164 4.9655 8.0252 9.1509 4.8853 4.1841 12.7075 6.4535 7.1544 7.4446 6.8897 5.7681 4.3630 4.5853 7.7548 4.9922 4.7293 1.5899 3.5019 5.8159 7.7948 6.2879 5.6437 6.7701 4.8897 5.7372 11.7786 7.8634 4.5703 5.2066 3.4682 9.3558 6.9060 4.9061 5.8915 4.1159 4.3609 5.7000 5.3652 7.0287 6.4618 6.0041 5.6469 7.8204 7.0902 5.9558 3.0305 3.7553 2.6679 3.2475 2.2319 2.4106 2.4258 2.2703 3.0550 2.5321 4.7395 6.1822 5.4520 1.5651 4.2500 1.8709 1.4178 6.3476 1.4658 1.5490 1.2771 7.0001 5.8442 4.7532 1.3910 1.3512 1.3133 2.8552 2.5550 2.0768 2.4621 2.4193 1.8335 3.2261 1.8880 1.9858 2.7708 2.7630 2.2046 1.2678 2.7962 1.3657 2.9130 1.4674 1.7958 6.0815 4.4723 2.9540 2.6310 2.3372 2.4380 1.3836 1.7082 4.9735 1.6926 2.0800 6.2178 2.2022 2.1716 3.1608 1.2554 2.2369 1.0489 2.4141 1.0881 2.7359 7.3440 5.8290 5.9065 6.6768 5.5742 7.0741 7.0933 7.6156 12.8007 12.8970 1.0348 1.1069 1.1010 1.0866 1.0883 1.0879 1.0894 1.0917 1.0950 1.0981 1.0946 1.0928 1.0925 1.0942 1.0983 1.0943
0.0011 0.0011 0.0025 0.0052 0.0063 0.0107 0.0214 0.0121 0.0136 0.0615 0.0443 0.0613 0.0922 0.1237 0.1310 0.1051 0.1214 0.2774 0.1919 0.1973 0.0670 0.1897 0.3370 0.4829 0.4495 0.4128 0.5104 0.3697 0.4795 1.0583 0.8360 0.5779 0.6710 0.5037 1.4939 1.2593 0.9503 1.2176 0.8921 0.9639 1.3136 1.3509 1.9014 1.7659 1.6451 1.6236 2.3523 2.2203 2.0311 1.0559 1.4461 1.0377 1.3279 0.9320 1.0302 1.0706 1.0165 1.4375 1.2189 2.3457 3.1827 2.8765 0.8392 2.3464 1.0438 0.8247 4.0133 0.9407 0.9979 0.8624 4.8416 4.0529 3.3408 0.9792 0.9842 0.9849 2.2067 2.0177 1.6666 2.0137 2.0218 1.5645 2.8442 1.6830 1.7781 2.5128 2.5726 2.1164 1.2534 2.7951 1.3885 2.9742 1.5219 1.8762 6.5684 4.9122 3.3385 3.0792 2.7606 2.9754 1.6919 2.1108 6.3816 2.2174 2.8568 8.9290 3.3276 3.2909 4.8145 1.9599 3.5684 1.6823 3.9156 1.7692 4.4838 13.4772 10.7873 10.9563 12.5348 10.5858 13.5628 13.6473 14.8220 28.6863 29.9681 6.2465 6.9273 7.1627 7.0823 7.1742 7.1938 7.2226 7.2541 7.3605 7.4196 7.4306 7.4230 7.4749 7.4906 7.8001 7.8105
0.4493 0.1535 1.9618 0.2556 1.0991 0.5115 2.6831 0.8298 8.8650 0.1188 0.6650 1.7785 0.1112 1.5234 2.2120 0.9473 1.6995 1.6756 1.4908 2.6302 0.4299 5.4552 4.2238 2.4407 1.1471 1.5667 0.8453 5.0485 0.5109 3.7972 3.0973 3.8270 6.0571 1.6323 14.9768 19.7870 29.8407 2.6797 0.3109 1.7702 1.4007 12.5441 10.2357 3.7599 4.0901 16.0087 6.4433 51.3316 3.8736 19.8214 8.6694 28.6559 38.8372 26.7485 14.5113 68.1352 49.0567 20.6384 22.1342 16.2795 10.3698 6.6068 9.9116 48.0770 18.2668 10.7648 14.5259 7.9492 8.9801 1.3643 13.1884 13.7856 9.4213 0.2503 3.1849 1.2733 9.9634 31.9531 4.9159 17.8342 11.6457 4.5304 5.0104 6.6139 1.4646 85.0805 56.7142 30.9238 2.6430 32.4816 9.3802 177.7824 9.4480 4.7440 140.4374 78.0286 76.4026 7.6293 280.5518 77.9947 103.8632 158.9492 111.1083 119.9666 664.0653 850.1320 37.4979 98.1353 3.9478 35.8290 25.8537 3.4149 160.2415 49.6498 83.1835 15.9635 55.4073 17.2861 169.7315 17.0642 454.7681 79.2196 75.4396 714.6811 509.7184 59.7075 62.8875 38.0264 11.8711 18.7311 19.5174 21.5814 41.0696 40.9074 46.6585 14.0305 24.3413 0.1123 6.4030 0.5563 4.2532
4.6509 1.6540 4.5480 1.3071 5.2627 2.0411 1.0383 5.4987 1.8690 0.1488 1.3616 3.7904 0.9625 1.4400 1.6610 2.1993 2.6420 3.8220 4.3482 3.1428 0.4668 1.5024 1.1553 6.4033 0.6569 2.0433 1.0468 5.8641 2.1934 1.3491 2.0280 0.6211 1.2347 0.3399 2.0384 0.4635 1.7057 2.7581 0.5964 1.5151 0.8304 2.5562 2.9608 7.5666 3.0810 6.8926 3.7566 4.9072 2.0173 1.9000 6.5264 3.9084 6.6966 5.5453 1.6848 2.7562 2.2420 3.7788 2.7190 0.9676 8.3834 1.4125 8.8430 1.5247 6.2373 1.1542 26.3931 1.3546 1.8461 1.2709 27.4646 42.0442 14.8704 1.2226 0.3102 0.8556 7.6394 1.2960 8.2472 5.5907 11.3457 5.6810 2.6561 6.9591 17.6590 8.0445 1.9518 35.4688 5.5491 11.8699 3.5584 18.2726 19.8020 7.9260 5.1497 93.7127 20.8285 17.7484 12.3404 25.8016 4.4133 17.1792 79.2318 8.9035 24.1635 77.5177 14.8969 6.4996 57.2094 5.4966 0.6594 20.4965 11.7816 9.9619 26.1541 477.0039 14.5751 9.2655 107.1777 21.4984 84.1426 181.4765 44.1920 60.0933 63.4565 104.8303 57.5047 81.4572 39.3772 61.3347 98.7615 71.0294 108.0985 154.6987 218.5023 89.6325 159.6943 22.1630 88.1773 68.8025 36.0299
0.7250 0.7326 0.7447 0.7316 0.7169 0.7494 0.6841 0.7495 0.7119 0.7485 0.6939 0.7494 0.7276 0.6968 0.6510 0.7500 0.6600 0.6318 0.7445 0.7251 0.3242 0.6499 0.2780 0.2254 0.5837 0.6344 0.6490 0.0289 0.7307 0.7500 0.1747 0.7496 0.5655 0.7395 0.7244 0.3617 0.6989 0.2461 0.7500 0.4396 0.5218 0.6020 0.7486 0.4690 0.6070 0.3484 0.5764 0.3454 0.2396 0.1305 0.1336 0.5329 0.2490 0.4938 0.6978 0.7466 0.2750 0.2555 0.1957 0.6939 0.1344 0.5013 0.6425 0.2797 0.4692 0.7500 0.1458 0.1944 0.1695 0.7398 0.3292 0.0501 0.4200 0.6857 0.6913 0.7218 0.0647 0.6738 0.2127 0.2321 0.1946 0.2538 0.7011 0.7499 0.3296 0.4054 0.3240 0.2095 0.7420 0.2033 0.6340 0.3560 0.3108 0.2041 0.4449 0.2663 0.1639 0.6594 0.3639 0.4319 0.1642 0.3564 0.2873 0.4501 0.7492 0.1919 0.2058 0.5452 0.2928 0.6530 0.7444 0.7441 0.2331 0.6943 0.3379 0.2748 0.7176 0.7406 0.1763 0.6322 0.2118 0.7481 0.6667 0.3630 0.1781 0.0283 0.7234 0.5490 0.1461 0.4312 0.5701 0.4869 0.6407 0.3258 0.1786 0.3158 0.1539 0.2176 0.1760 0.3058 0.1880
0.8406 0.8457 0.8537 0.8450 0.8351 0.8567 0.8124 0.8568 0.8317 0.8562 0.8193 0.8568 0.8423 0.8213 0.7886 0.8571 0.7952 0.7744 0.8536 0.8407 0.4896 0.7878 0.4351 0.3679 0.7372 0.7763 0.7871 0.0561 0.8444 0.8571 0.2974 0.8569 0.7224 0.8502 0.8402 0.5312 0.8228 0.3950 0.8571 0.6107 0.6858 0.7516 0.8562 0.6386 0.7555 0.5168 0.7313 0.5134 0.3865 0.2309 0.2357 0.6953 0.3987 0.6611 0.8220 0.8549 0.4314 0.4070 0.3273 0.8193 0.2370 0.6678 0.7823 0.4371 0.6387 0.8571 0.2545 0.3255 0.2899 0.8504 0.4954 0.0954 0.5915 0.8135 0.8175 0.8384 0.1215 0.8051 0.3508 0.3767 0.3257 0.4049 0.8243 0.8571 0.4958 0.5769 0.4894 0.3464 0.8519 0.3379 0.7760 0.5250 0.4742 0.3390 0.6158 0.4206 0.2816 0.7948 0.5336 0.6032 0.2821 0.5255 0.4463 0.6208 0.8566 0.3220 0.3413 0.7056 0.4530 0.7901 0.8535 0.8533 0.3780 0.8196 0.5051 0.4312 0.8356 0.8510 0.2998 0.7747 0.3495 0.8559 0.8000 0.5326 0.3024 0.0551 0.8395 0.7089 0.2550 0.6026 0.7262 0.6549 0.7810 0.4915 0.3030 0.4800 0.2668 0.3575 0.2994 0.4683 0.3164
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
6 8 6 6 6 6 6 6 8 6 6 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 35 6 6 6 6 6 7 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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
14589.2789 20992.8810 23998.8318
0.99776 0.06497 0.01568 -0.06302 0.99269 -0.10296 -0.02226 0.10174 0.99456
1
0.00594 0.00413 0.00361
0.12370 0.08597 0.07520
21.16 27.22 34.84 53.91 66.58 68.59 90.65 93.11 106.94 130.37 155.29 173.54 208.58 251.20 282.43 290.98 304.96 354.50 367.53 382.85 384.92 436.31 451.22 466.55 501.16 506.94 514.69 515.42 541.91 561.85 611.16 666.56 672.90 714.37 749.02 800.42 824.94 852.13 872.67 881.25 899.85 940.54 974.92 979.89 981.17 1005.07 1028.02 1048.94 1094.62 1106.44 1163.17 1169.02 1198.62 1211.24 1225.37 1245.23 1254.22 1285.77 1300.51 1318.68 1344.92 1361.53 1372.55 1392.77 1400.08 1429.61 1490.44 1501.61 1504.46 1540.30 1558.87 1560.95 1571.46 1572.69 1599.72 1623.24 1647.85 1665.71 1679.13 1695.17 1713.53 1731.48 1759.96 1769.75 1773.66 1785.02 1808.68 1836.53 1863.73 1874.05 1890.02 1894.00 1908.95 1915.95 1948.02 1964.45 1992.68 2027.81 2037.14 2070.76 2072.73 2083.63 2123.26 2145.43 2196.74 2246.22 2304.15 2307.50 2313.36 2342.01 2367.46 2373.84 2387.18 2390.15 2399.60 2539.22 2549.93 2552.90 2568.29 2583.10 2595.43 2599.97 2614.99 2806.01 2857.29 4605.22 4689.20 4781.01 4785.55 4812.63 4820.18 4826.32 4831.70 4859.71 4872.31 4883.66 4885.20 4903.04 4904.36 4995.18 5007.74
0.386803
0.412291
0.413236
0.326832
-4008.764844
-4008.739356
-4008.738412
-4008.824815
2.897971D-04
MUNgauss
RevisionA2.1
retrievium
28-May-2021
DUDE COc1cccc2c1oc(c2)C(=O)C3=C(C(=O)N([C@H]3c4cccc(c4)Br)c5ccccn5)[O-] C39848760
RHF
6-31G(d)
(6D,10F)
C1
503.024258
|X|Y|Z|
67.316223 56.639665 89.905380
69.985601
27
|36.858105|
|13.653405|73.516695|
|8.049630|25.124599|36.858105|
|6.697914|13.926037|13.799214|36.858105|
|4.484037|9.168512|7.867760|13.550157|36.858105|
|3.756496|8.098252|6.713921|7.840583|13.885467|36.858105|
|3.964021|9.320637|7.802495|6.873150|8.021138|13.595789|36.858105|
|5.255399|14.476026|13.680341|8.069692|6.993975|7.919310|13.777226|36.858105|
|4.541083|12.095067|7.817582|5.237339|4.696331|5.361257|8.491698|14.189249|73.516695|
|3.457271|8.219478|5.403343|4.235862|4.212116|5.260619|8.540506|8.772764|24.920134|36.858105|
|3.250973|7.447489|5.313214|4.565890|5.022877|7.229785|13.207331|8.520321|15.201473|14.199378|36.858105|
|2.862022|6.428455|3.883591|3.189552|3.157637|3.749136|5.129356|5.265475|13.499869|12.594859|7.450683|36.858105|
|2.475441|5.371974|3.291024|2.836409|2.904709|3.501534|4.546819|4.298441|9.637540|8.346610|6.761020|15.688094|73.516695|
|2.840760|6.286422|3.547609|2.884685|2.754000|3.102264|4.017006|4.447167|11.382917|7.468207|5.010868|13.385934|14.389228|36.858105|
|2.399022|5.080007|2.828297|2.385293|2.296298|2.547355|3.131736|3.361752|7.785222|4.937514|3.783976|7.656203|11.611298|13.490065|36.858105|
|2.390738|4.954726|2.651126|2.235848|2.106828|2.268449|2.720186|3.008101|6.776257|3.911266|3.096363|5.103395|7.721254|8.083182|12.394278|36.858105|
|2.121924|4.284005|2.287661|1.969093|1.863366|1.987912|2.327078|2.537186|5.486883|3.154846|2.606484|3.938320|6.322648|5.427610|7.804598|15.928246|73.516695|
|2.793664|5.877766|3.047975|2.505129|2.305016|2.448262|2.963499|3.418336|7.877809|4.233629|3.275454|5.102109|7.231283|8.127479|8.096779|13.844380|14.749251|53.358707|
|3.266946|7.304658|3.862610|3.045649|2.787651|3.015760|3.833483|4.586622|11.734280|6.121615|4.320770|7.243015|9.025284|12.533709|7.897740|8.020498|9.596484|17.550580|36.858105|
|3.889404|9.045659|4.534404|3.420426|3.024846|3.204364|4.098323|5.265786|13.990490|6.206229|4.379046|6.362750|8.102434|8.715575|6.006067|6.154762|8.098837|12.463002|17.691528|0.500000|
|3.273689|7.217572|3.885301|3.119707|2.867214|3.084699|3.848128|4.520483|10.525778|5.499175|4.208316|5.760566|7.736952|7.417332|5.437012|5.528290|7.516424|10.514820|12.414525|0.248876|36.858105|
|3.944278|8.766215|4.565565|3.601983|3.190303|3.310344|4.040024|4.979792|10.601149|4.971408|4.053810|4.558502|6.391972|5.148693|3.978277|4.071414|5.925029|7.381961|7.490576|0.204965|13.738921|36.858105|
|3.522480|7.314673|3.956263|3.349735|3.036195|3.109340|3.594974|4.145440|7.969683|3.990243|3.534779|3.658802|5.446201|3.922815|3.229999|3.288772|5.004754|5.541618|4.981504|0.133397|7.895314|13.733254|36.858105|
|2.814106|5.709422|3.185794|2.802922|2.648115|2.773205|3.157050|3.426098|6.609647|3.572066|3.236364|3.451357|5.312720|3.694376|3.165438|3.202672|4.953915|5.152044|4.392442|0.110765|6.797483|7.919903|13.784503|36.858105|
|2.543474|5.223746|2.933877|2.562066|2.458597|2.641120|3.070329|3.275058|6.617227|3.767100|3.322068|3.908270|6.028439|4.335576|3.781626|3.797951|5.794593|5.970587|5.004087|0.116996|7.947764|6.949853|8.029583|13.768787|36.858105|
|2.682143|5.665179|3.151233|2.665875|2.536317|2.759930|3.331457|3.635466|7.884603|4.552334|3.741001|5.065244|7.399692|6.186381|5.168584|5.162801|7.361220|8.433582|7.496737|0.155719|13.679720|7.971550|6.887923|7.887958|13.822149|36.858105|
|2.032584|4.052647|2.304476|2.087761|2.054445|2.212128|2.484839|2.542379|4.979500|2.936289|2.711640|3.128901|5.169163|3.360958|3.175817|3.161144|5.101731|4.563510|3.538878|0.084775|4.580119|4.095164|4.606992|6.692293|9.969808|6.680089|2539.412838|
|2.814342|5.705196|2.853010|2.371104|2.146752|2.221135|2.613009|3.041896|6.635790|3.415915|2.768051|3.795535|5.613496|5.176447|5.138429|7.739217|11.675889|18.618745|7.607064|0.195394|6.143087|5.068915|3.956038|3.610513|3.963448|5.047960|104.852152|36.858105|
|2.372338|4.650749|2.360599|2.021503|1.853694|1.910598|2.196184|2.484882|5.216016|2.764819|2.322739|3.081788|4.776047|3.985594|4.272084|6.412505|11.961939|10.586018|5.019863|0.129201|4.440209|3.824809|3.244647|3.098096|3.411793|4.086226|97.213739|13.552030|36.858105|
|2.308777|4.390691|2.200589|1.909379|1.739368|1.765068|1.992526|2.254705|4.589745|2.397778|2.061749|2.579340|4.052120|3.166107|3.282835|4.400682|8.179319|7.054048|3.906554|0.105970|3.656298|3.389646|2.986765|2.828274|2.986867|3.374945|86.740641|7.997784|13.873396|36.858105|
|2.601128|4.853300|2.367672|2.046684|1.832852|1.831383|2.055485|2.365319|4.744676|2.406953|2.080119|2.501608|3.894619|2.999443|2.964314|3.746919|6.571915|6.285370|3.797779|0.108308|3.649900|3.604677|3.180859|2.900879|2.933438|3.240921|83.042106|6.967116|7.946464|13.690156|36.858105|
|3.181319|6.039630|2.852622|2.401112|2.109444|2.098598|2.387121|2.828282|5.750252|2.814802|2.390454|2.865229|4.346349|3.460813|3.259149|4.040568|6.647122|7.356719|4.676397|0.140351|4.477941|4.591716|3.838852|3.318481|3.287362|3.703336|88.345551|8.362156|7.045340|8.084375|13.857089|36.858105|
|3.359233|6.769323|3.222743|2.633114|2.319226|2.349658|2.751098|3.312891|7.099028|3.439801|2.809875|3.569743|5.232937|4.555330|4.157241|5.319379|8.127683|11.271909|6.906556|0.209935|6.106554|5.827972|4.411173|3.755205|3.845541|4.645835|98.786065|14.447646|8.002676|6.937149|7.997304|14.397682|53.358707|
|2.116510|4.397634|2.484358|2.149412|2.105695|2.346994|2.821806|2.924627|6.456010|4.198246|3.428334|6.251761|11.323461|7.881742|15.792389|8.025618|11.951563|7.467118|5.280359|0.122209|4.120047|3.212929|2.729081|2.727018|3.227186|4.127415|98.245130|3.995830|3.574988|2.847432|2.560308|2.737629|4.527234|73.516695|
|17.546569|16.455012|7.052106|6.700785|4.543513|3.704158|3.768035|4.756175|7.184986|3.189572|3.072936|2.652020|4.121445|2.621283|2.228277|2.221500|3.525593|3.516643|3.002836|0.096067|3.136070|3.871731|3.650541|2.904780|2.558399|2.624665|69.852613|2.612042|2.231083|2.186644|2.462822|2.970894|4.206766|3.515848|0.500000|
|17.549247|16.462193|7.084954|6.711151|4.554857|3.717474|3.785325|4.782093|7.224188|3.204494|3.087204|2.666198|4.178962|2.604840|2.231611|2.202180|3.508159|3.420887|2.895172|0.094399|2.839248|3.281560|2.964121|2.451234|2.253860|2.378976|62.768227|2.511569|2.153449|2.097681|2.333488|2.781602|3.974404|3.552432|0.299089|0.500000|
|17.640778|17.029298|5.894340|4.888281|3.598335|3.157848|3.394179|4.402697|7.333967|3.188581|2.922020|2.742500|4.206603|2.810094|2.409200|2.462962|3.911774|3.968040|3.314283|0.110811|3.277462|3.926274|3.462553|2.768451|2.516291|2.670241|68.425929|3.030969|2.555350|2.527500|2.919862|3.637340|5.081478|3.760405|0.299748|0.299737|0.500000|
|7.407247|12.435017|8.920762|17.752566|8.897879|5.629694|4.955553|5.689911|7.442016|3.455409|3.632983|2.735951|4.369691|2.540272|2.147658|2.050041|3.249628|3.125193|2.715546|0.084559|2.787786|3.237771|3.075061|2.583800|2.341358|2.407215|65.768888|2.219569|1.915896|1.836714|1.988554|2.320326|3.383852|3.459385|0.223416|0.222195|0.145140|0.500000|
|3.901685|7.424874|5.637577|8.917124|17.702511|8.972435|5.672054|5.013777|6.598693|3.429277|4.031952|2.698674|4.503733|2.387348|2.036232|1.883140|2.997444|2.778718|2.411294|0.071881|2.487548|2.750173|2.678162|2.380168|2.206731|2.245213|64.189892|1.921091|1.683360|1.593024|1.678034|1.908044|2.812886|3.358505|0.112751|0.112881|0.088805|0.217588|0.500000|
|3.109654|6.442507|4.869213|5.591785|8.918152|17.721482|8.813616|5.625677|7.689015|4.537580|6.368992|3.434878|5.949614|2.828739|2.377005|2.103905|3.310212|3.035377|2.691990|0.077762|2.756917|2.894517|2.772380|2.550838|2.458603|2.542793|72.177888|2.021323|1.763397|1.630427|1.677635|1.895694|2.869283|3.967001|0.085970|0.086239|0.074525|0.123918|0.214875|0.500000|
|2.759556|6.040252|4.145263|3.782764|4.302109|6.110637|8.398228|5.807001|10.419242|8.899524|17.833997|6.602674|12.584614|4.471727|3.576267|2.886333|4.392892|4.023776|3.730538|0.101801|3.658255|3.452077|3.115167|2.965786|3.099857|3.433533|90.051475|2.503775|2.147394|1.908485|1.904880|2.149747|3.396799|5.999943|0.073378|0.073715|0.069780|0.086654|0.101085|0.170348|0.500000|
|4.986366|11.673202|5.537793|4.118545|3.464380|3.486986|4.260102|5.682953|11.926541|4.994972|4.062643|4.356086|6.098320|4.822208|3.729744|3.831695|5.629646|6.959419|6.988932|0.228373|8.956795|17.755016|8.919721|5.645082|4.994763|5.667018|113.232692|4.969369|3.708136|3.362670|3.706367|4.939066|8.482961|5.395463|0.131982|0.110271|0.139398|0.103055|0.081926|0.082734|0.093943|0.500000|
|3.805520|7.585701|4.058249|3.531903|3.142174|3.105595|3.459668|3.998464|7.226153|3.543431|3.252837|3.165389|4.807815|3.308447|2.775022|2.826568|4.390686|4.668296|4.070434|0.114239|5.629563|8.911562|17.702260|8.946994|5.684867|4.958595|130.277874|3.432496|2.885783|2.741734|2.991942|3.596714|5.349647|4.250592|0.114395|0.087629|0.103159|0.092150|0.077782|0.076569|0.079770|0.215205|0.500000|
|2.575297|5.076730|2.855658|2.595283|2.481747|2.571661|2.834426|3.005458|5.602474|3.054290|2.864305|2.936815|4.653414|3.075043|2.707860|2.735393|4.337512|4.271383|3.521020|0.090723|4.915003|5.627808|8.877731|17.746615|8.906278|5.629484|220.233776|3.050842|2.710409|2.533715|2.606227|2.909407|4.317335|4.254035|0.075085|0.062971|0.070175|0.067422|0.063066|0.066640|0.074233|0.123918|0.214209|0.500000|
|2.402336|5.022748|2.813891|2.411926|2.327214|2.556782|3.070600|3.267405|7.105970|4.311183|3.554911|5.243056|7.957040|6.666563|6.165914|5.982509|8.488650|8.695561|6.961205|0.140692|8.892253|5.658485|4.963351|5.634341|8.947882|17.758898|219.991440|4.902511|4.139760|3.322113|3.070641|3.390703|5.735845|8.793713|0.064777|0.060231|0.066579|0.060656|0.057657|0.066418|0.093308|0.124388|0.107681|0.124196|0.500000|
|2.138137|4.197055|2.175482|1.882727|1.751025|1.821727|2.089652|2.318987|4.858342|2.653157|2.244156|3.038254|4.810990|3.929843|4.503855|7.043546|15.482262|9.617529|4.589232|0.114192|4.039906|3.393379|2.936737|2.889880|3.269401|3.922940|97.177463|8.859753|17.855333|8.913462|5.642782|5.052862|7.773436|6.900028|0.056075|0.054528|0.063077|0.049416|0.044335|0.047134|0.058434|0.089903|0.072394|0.070896|0.116077|0.500000|
|2.050355|3.856010|1.957247|1.723557|1.584086|1.607455|1.796004|2.002582|4.020854|2.131356|1.860347|2.296778|3.677240|2.761829|2.916400|3.802309|7.373091|5.685331|3.258259|0.087824|3.088882|2.876386|2.606914|2.520516|2.666448|2.946563|80.485422|5.665430|8.986964|17.699101|8.872519|5.697411|6.783528|4.632340|0.054313|0.052322|0.061916|0.046257|0.040603|0.041566|0.048333|0.078783|0.067154|0.063886|0.081864|0.214822|0.500000|
|2.456421|4.466164|2.183339|1.917917|1.718775|1.702438|1.883555|2.150020|4.219301|2.146310|1.887447|2.203138|3.475716|2.572333|2.540281|3.098637|5.496389|4.988334|3.151703|0.090425|3.087180|3.125330|2.852088|2.617460|2.601644|2.793153|75.399898|5.002727|5.633224|8.809565|17.730219|8.908422|7.748902|3.981242|0.065225|0.061684|0.076973|0.052354|0.044083|0.043486|0.048259|0.089747|0.076344|0.066715|0.073560|0.123517|0.211189|0.500000|
|3.596000|6.591358|3.018425|2.546658|2.197666|2.146809|2.413488|2.892037|5.712008|2.735756|2.358751|2.694189|4.101593|3.139399|2.889585|3.402819|5.570211|5.982574|4.143249|0.128810|4.095478|4.508263|3.859562|3.235676|3.083238|3.368256|82.871171|5.904179|5.039553|5.689911|8.925623|17.685593|12.748560|4.373726|0.093474|0.085873|0.118500|0.069354|0.055330|0.053528|0.058586|0.141574|0.104725|0.079859|0.084368|0.109204|0.124255|0.213538|0.500000|
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