Version2.2
2021-02-09T21:11:38Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
24-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE COCCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c4ccc(c(c4)Cl)[N+](=O)[O-] C39227939
RHF
6-31G(d)
(6D,7F)
COCCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c4ccc(c(c4)Cl)[N+](=O)[O-]
C01[X(C21H20Cl1N3O4)]
141
C1
479
COCCC(=O)N1CCc2c([C@@H]1c1ccc(c(c1)Cl)[N+](=O)[O-])[nH]c1c2cccc1
COCCC(=O)N1CCc2c([C@@H]1c1ccc(c(c1)Cl)[N+](=O)[O-])[nH]c1c2cccc1
COCCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c4ccc(c(Cl)c4)[N+]([O-])=O
InChIKey=VENSGAISRJQPDY-NRFANRHFSA-N
InChI=1S/C21H20ClN3O4/c1-29-11-9-19(26)24-10-8-15-14-4-2-3-5-17(14)23-20(15)21(24)13-6-7-18(25(27)28)16(22)12-13/h2-7,12,21,23H,8-11H2,1H3/t21-/m0/s1
InChI=1/C21H20ClN3O4/c1-29-11-9-19(26)24-10-8-15-14-4-2-3-5-17(14)23-20(15)21(24)13-6-7-18(25(27)28)16(22)12-13/h2-7,12,21,23H,8-11H2,1H3/t21-/m0/s1
COCCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c4ccc(c(c4)Cl)[N+](=O)[O-]
C01[X(C21H20Cl1N3O4)]
141
C01
479
COCCC(=O)N1CCc2c([C@@H]1c1ccc(c(c1)Cl)[N+](=O)[O-])[nH]c1c2cccc1
COCCC(=O)N1CC[C]2=C([C@@H]1[C]1[CH][CH][C]([C]([CH]1)Cl)[N]([O])[O])N[C]1[C]2[CH][CH][CH][CH]1
COCCC(=O)N1CCC2=C(N[C]3[CH][CH][CH][CH][C]23)[C@@H]1[C]4[CH][CH][C]([C](Cl)[CH]4)N([O])[O]
InChIKey=VENSGAISRJQPDY-NRFANRHFSA-N
InChI=1S/C21H20ClN3O4/c1-29-11-9-19(26)24-10-8-15-14-4-2-3-5-17(14)23-20(15)21(24)13-6-7-18(25(27)28)16(22)12-13/h2-7,12,21,23H,8-11H2,1H3/t21-/m0/s1
InChI=1/C21H20ClN3O4/c1-29-11-9-19(26)24-10-8-15-14-4-2-3-5-17(14)23-20(15)21(24)13-6-7-18(25(27)28)16(22)12-13/h2-7,12,21,23H,8-11H2,1H3/t21-/m0/s1
2844.7442106213
-1729.0374478
1-A
15292.1678
108
371
479
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9.69207
5.2295 -2.6844 0.3538
5.8888
|XX|YY|ZZ|XY|XZ|YZ|
-196.4412 -177.3970 -175.3559 24.1777 4.2517 -8.7031
|XX|YY|ZZ|XY|XZ|YZ|
-13.3765 5.6677 7.7088 24.1777 4.2517 -8.7031
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
73.6069 -151.1539 -6.8382 50.2844 -101.7748 0.7863 8.7202 -0.1088 -52.0399 -7.3140
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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
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14.2856 21.8086 33.2030 44.1355 60.6475 63.6776 64.6721 83.7674 105.2487 116.9338 134.7630 143.7364 151.9613 175.3366 192.4723 200.3580 204.3241 224.2760 243.8451 247.9630 270.8752 283.1121 306.7196 331.5292 356.6056 367.7115 392.1796 400.9384 419.1403 475.0837 481.2846 493.9366 507.7247 528.0488 545.6257 581.7218 609.4530 630.0856 633.2863 635.8078 665.4579 678.0338 695.6596 727.4450 745.3852 782.6087 784.6638 800.4940 841.2149 845.5906 855.6047 871.0949 885.6316 903.4360 927.2184 947.9984 962.4473 972.6931 986.0827 1005.4436 1038.1876 1057.6737 1061.7935 1080.7270 1094.4914 1099.0249 1103.6717 1112.5328 1115.8125 1160.4719 1165.4188 1184.5427 1195.5341 1212.9821 1227.2664 1233.9955 1259.4970 1287.4828 1292.6722 1296.3322 1300.0950 1305.1403 1318.1729 1322.9782 1335.8158 1352.9476 1355.1568 1363.1023 1381.5489 1393.6305 1405.5258 1422.0195 1441.9088 1447.3485 1448.8899 1473.5837 1505.4081 1533.7733 1543.6940 1571.2141 1576.3906 1611.0453 1617.2058 1619.9804 1628.8362 1636.6915 1640.5243 1644.2087 1645.2008 1658.3706 1664.2808 1665.4756 1669.2475 1680.0577 1762.9723 1763.9250 1800.4133 1801.2205 1829.3666 1865.1021 1901.5909 3178.8039 3194.9248 3210.8905 3223.2576 3228.1871 3228.5120 3241.7241 3244.0955 3274.8833 3303.8597 3305.7122 3351.5474 3354.6548 3362.0946 3374.2435 3387.0491 3399.1937 3415.4346 3425.9360 3910.8080
6.0056 7.8506 7.1771 5.6498 8.2693 4.6794 7.7582 2.2487 5.2625 2.6115 5.7106 3.7258 3.3343 3.6244 4.6394 4.9780 8.0393 10.4463 1.4485 3.9987 4.7928 2.4607 4.6820 4.0262 2.0602 6.0217 3.8609 3.0342 8.8758 3.6654 3.3227 3.8277 3.9995 5.6336 4.2220 6.3433 5.6230 2.6330 3.4631 4.7264 5.1293 4.5731 5.0223 5.4013 5.0958 5.2360 3.4474 4.3077 1.4620 3.1921 4.8311 3.3443 4.5445 1.4029 5.2580 5.1644 1.4505 1.8689 5.8771 2.5446 2.6697 1.5245 1.3547 3.0155 3.4859 3.4280 1.3032 1.3647 2.0684 2.4769 4.4466 2.3430 1.8109 3.1154 2.1045 1.6973 2.2166 3.7679 3.5175 1.2506 1.7543 2.0491 1.2775 2.8712 1.6718 2.8841 1.2454 1.7880 1.6941 2.4008 3.4164 1.4777 1.2110 1.4767 1.4541 1.7221 1.5480 1.8440 1.3805 2.2685 1.5535 2.1323 2.4648 1.1290 3.2538 1.1238 1.2451 4.4440 1.0477 1.0754 1.1378 2.6829 4.0795 1.0945 6.4846 6.5500 5.6598 6.8588 6.1156 13.3675 11.8399 1.0367 1.0644 1.0570 1.0882 1.0639 1.1045 1.0870 1.1067 1.1048 1.0853 1.0994 1.0922 1.0867 1.0904 1.0955 1.0980 1.0916 1.0937 1.0952 1.0811
0.0007 0.0022 0.0047 0.0065 0.0179 0.0112 0.0191 0.0093 0.0343 0.0210 0.0611 0.0454 0.0454 0.0656 0.1013 0.1177 0.1977 0.3096 0.0507 0.1449 0.2072 0.1162 0.2595 0.2607 0.1544 0.4797 0.3499 0.2874 0.9187 0.4874 0.4535 0.5502 0.6075 0.9255 0.7405 1.2647 1.2306 0.6159 0.8183 1.1257 1.3383 1.2387 1.4320 1.6840 1.6681 1.8895 1.2506 1.6264 0.6096 1.3448 2.0837 1.4952 2.1001 0.6746 2.6634 2.7345 0.7916 1.0418 3.3670 1.5156 1.6954 1.0048 0.8999 2.0751 2.4603 2.4395 0.9353 0.9952 1.5173 1.9653 3.5583 1.9370 1.5250 2.7007 1.8676 1.5228 2.0717 3.6798 3.4631 1.2382 1.7470 2.0565 1.3079 2.9609 1.7577 3.1105 1.3475 1.9574 1.9051 2.7472 3.9765 1.7605 1.4835 1.8226 1.7986 2.2033 2.0670 2.5559 1.9382 3.2995 2.2746 3.2608 3.7981 1.7457 5.0862 1.7737 1.9744 7.0784 1.6708 1.7426 1.8568 4.3846 6.6973 1.8203 11.8748 12.0074 10.8093 13.1110 12.0584 27.3972 25.2251 6.1721 6.4014 6.4206 6.6611 6.5323 6.7831 6.7303 6.8622 6.9811 6.9799 7.0783 7.2281 7.2054 7.2621 7.3490 7.4218 7.4310 7.5168 7.5733 9.7421
0.0325 0.1728 0.4161 0.7227 1.0152 0.6827 0.6323 1.0986 3.6178 2.1480 6.0723 2.3859 4.2241 0.0960 1.5646 4.3067 2.3824 0.8499 5.4228 3.1672 7.4890 44.2698 5.8289 6.9962 43.5644 6.6822 29.9004 4.8325 2.5898 4.6614 5.3144 4.1388 8.6443 14.0984 5.8423 4.0144 1.7152 15.7334 2.6609 11.2272 0.4353 10.3406 8.0407 11.5946 6.6444 15.9540 2.7360 19.2278 61.0902 14.4985 17.1531 13.2560 13.7434 2.9537 39.8582 29.5304 0.2039 30.7626 16.2539 8.8282 13.4350 15.8678 1.4385 8.8030 17.5026 9.4691 0.2027 2.0237 2.4202 33.8913 15.1572 7.2285 7.1707 14.3544 10.8248 24.5921 8.2530 278.7219 1.0505 4.0378 1.4973 32.2140 151.8486 51.6110 87.1589 34.3872 10.0192 32.7386 35.5090 22.8267 19.3081 6.5095 4.2548 15.6856 22.2196 18.4346 12.2189 9.7336 13.5901 39.5412 20.4958 426.1918 51.7330 5.6839 17.3782 2.9767 21.2003 239.9017 3.9078 1.7646 19.8191 9.6545 61.4009 0.3373 0.3013 28.4479 48.7415 4.0697 14.9275 515.7608 308.7258 59.4423 41.9236 37.3558 8.1274 12.6099 65.2633 53.4594 37.3334 36.3423 4.2622 51.8035 27.7446 1.5123 3.3865 38.1977 38.2961 2.8704 3.6829 0.1712 81.6175
0.4003 2.4995 5.0761 3.5382 2.9784 3.1878 1.6230 0.3209 1.8864 0.1315 3.3709 0.7218 1.3397 1.5104 2.4611 1.5172 0.8646 1.6742 0.3889 2.3132 1.1839 1.4723 2.8318 0.8458 0.6383 0.6150 1.0587 0.2191 3.2083 0.2696 0.7636 2.4989 3.1112 2.3053 0.6764 1.0596 7.8121 1.1772 0.2899 1.1801 1.1356 1.7545 2.7423 1.2665 9.3627 2.5006 10.4443 2.3268 1.9278 1.6481 2.7353 9.0432 2.9760 0.4527 6.1628 6.5629 1.8329 2.1269 24.4178 3.2316 2.1860 3.1754 0.1501 10.5864 17.6990 8.3983 0.5814 0.7721 13.9565 3.5137 3.7881 9.8750 1.9716 7.6653 24.6248 3.4941 14.6753 10.3914 27.0348 4.8533 5.7417 7.3498 5.1565 8.3848 14.1449 7.2872 1.8024 5.9014 10.0481 26.6123 71.8787 1.7956 37.2152 7.4969 24.2882 14.6723 4.2296 8.5198 3.7366 4.1367 6.8803 17.1330 4.8835 7.6334 76.2616 19.1377 11.6841 32.3338 22.3145 8.5183 10.8715 2.1255 42.9496 9.4883 102.7348 22.6546 80.3961 163.3659 17.9788 3.6446 10.5867 69.4041 121.5900 97.9783 68.8115 40.4189 48.0383 64.9902 65.5725 9.9019 49.2058 112.8577 98.1036 22.9645 118.4408 73.7552 313.5592 57.9862 34.1028 89.8250 61.6319
0.7463 0.7499 0.7494 0.7396 0.7329 0.7446 0.6951 0.7477 0.7392 0.7250 0.7332 0.7005 0.6428 0.2683 0.7140 0.4038 0.3007 0.1590 0.3531 0.4061 0.3896 0.7494 0.7286 0.6459 0.6696 0.7467 0.6862 0.7484 0.3893 0.5678 0.2296 0.6940 0.2391 0.2102 0.4559 0.7280 0.7217 0.7469 0.7280 0.3658 0.4121 0.7471 0.3766 0.5986 0.2342 0.7452 0.2124 0.2604 0.4923 0.6284 0.0808 0.0556 0.4223 0.6990 0.3830 0.1887 0.7462 0.5481 0.1119 0.4327 0.5682 0.2555 0.3399 0.2784 0.3149 0.6601 0.7109 0.2250 0.1566 0.2051 0.2791 0.1312 0.7147 0.4412 0.4080 0.6702 0.4598 0.5022 0.2381 0.7409 0.2741 0.2601 0.6755 0.1834 0.0605 0.2954 0.3889 0.6784 0.7256 0.1154 0.2760 0.5444 0.6602 0.4959 0.2895 0.3190 0.5300 0.4691 0.5272 0.7318 0.7498 0.5787 0.6878 0.6957 0.4130 0.7233 0.6261 0.1180 0.7500 0.7378 0.5287 0.3572 0.1852 0.7077 0.3831 0.6927 0.4908 0.2454 0.4645 0.4213 0.2737 0.0194 0.1486 0.0673 0.7195 0.0818 0.7110 0.2205 0.7051 0.7426 0.1023 0.4899 0.3211 0.7470 0.6868 0.7471 0.1270 0.4147 0.2325 0.1800 0.2155
0.8547 0.8571 0.8567 0.8503 0.8459 0.8536 0.8202 0.8557 0.8500 0.8406 0.8460 0.8239 0.7826 0.4231 0.8331 0.5753 0.4624 0.2744 0.5220 0.5777 0.5607 0.8568 0.8430 0.7849 0.8021 0.8550 0.8139 0.8561 0.5604 0.7243 0.3734 0.8194 0.3860 0.3473 0.6262 0.8426 0.8383 0.8551 0.8426 0.5357 0.5837 0.8553 0.5471 0.7489 0.3795 0.8540 0.3503 0.4132 0.6598 0.7718 0.1496 0.1053 0.5938 0.8229 0.5538 0.3175 0.8546 0.7081 0.2013 0.6040 0.7246 0.4070 0.5074 0.4356 0.4790 0.7952 0.8310 0.3673 0.2708 0.3404 0.4363 0.2320 0.8336 0.6123 0.5796 0.8025 0.6299 0.6686 0.3846 0.8512 0.4303 0.4128 0.8063 0.3099 0.1141 0.4561 0.5600 0.8084 0.8410 0.2069 0.4326 0.7050 0.7953 0.6630 0.4491 0.4837 0.6928 0.6386 0.6904 0.8451 0.8570 0.7332 0.8150 0.8205 0.5846 0.8394 0.7701 0.2111 0.8571 0.8491 0.6917 0.5264 0.3126 0.8289 0.5540 0.8185 0.6584 0.3941 0.6343 0.5928 0.4298 0.0381 0.2588 0.1261 0.8369 0.1511 0.8311 0.3613 0.8270 0.8523 0.1856 0.6576 0.4861 0.8552 0.8143 0.8553 0.2253 0.5862 0.3773 0.3051 0.3546
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 8 7 6 6 6 6 6 6 6 6 6 7 1 6 6 1 6 6 6 6 6 6 17 7 8 8 1 1 1 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 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 1.00783
13351.0805 15854.9273 26712.7989
0.99193 0.12676 0.00108 -0.12676 0.99193 -0.00298 -0.00145 0.00282 0.99999
1
0.00649 0.00546 0.00324
0.13518 0.11383 0.06756
20.55 31.38 47.77 63.50 87.26 91.62 93.05 120.52 151.43 168.24 193.89 206.80 218.64 252.27 276.92 288.27 293.98 322.68 350.84 356.76 389.73 407.34 441.30 477.00 513.08 529.05 564.26 576.86 603.05 683.54 692.46 710.66 730.50 759.74 785.03 836.97 876.87 906.55 911.16 914.79 957.45 975.54 1000.90 1046.63 1072.44 1126.00 1128.96 1151.73 1210.32 1216.62 1231.02 1253.31 1274.23 1299.84 1334.06 1363.96 1384.75 1399.49 1418.75 1446.61 1493.72 1521.76 1527.68 1554.93 1574.73 1581.25 1587.94 1600.69 1605.41 1669.66 1676.78 1704.29 1720.11 1745.21 1765.76 1775.44 1812.14 1852.40 1859.87 1865.13 1870.55 1877.81 1896.56 1903.47 1921.94 1946.59 1949.77 1961.20 1987.74 2005.12 2022.24 2045.97 2074.59 2082.41 2084.63 2120.16 2165.95 2206.76 2221.03 2260.63 2268.07 2317.93 2326.80 2330.79 2343.53 2354.83 2360.35 2365.65 2367.08 2386.03 2394.53 2396.25 2401.67 2417.23 2536.52 2537.89 2590.39 2591.55 2632.05 2683.47 2735.97 4573.59 4596.78 4619.76 4637.55 4644.64 4645.11 4664.12 4667.53 4711.83 4753.52 4756.18 4822.13 4826.60 4837.30 4854.78 4873.21 4890.68 4914.05 4929.16 5626.78
0.415680
0.439829
0.440774
0.358402
-1728.621768
-1728.597618
-1728.596674
-1728.679046
2.762770D-04
MUNgauss
RevisionA2.1
retrievium
09-Feb-2021
DUDE COCCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c4ccc(c(c4)Cl)[N+](=O)[O-] C39227939
RHF
6-31G(d)
(6D,10F)
C1
413.114234
|X|Y|Z|
87.898304 82.096502 28.744213
59.195023
19
|36.858105|
|13.672772|73.516695|
|8.140738|24.250491|36.858105|
|5.240616|14.458046|12.534961|36.858105|
|3.929663|9.141855|7.575516|12.552114|36.858105|
|3.826494|8.281939|7.014172|8.046171|15.790426|73.516695|
|3.144528|7.040655|5.049296|7.706075|14.000838|15.116669|53.358707|
|2.925745|6.578270|4.291472|6.493357|7.592113|9.401614|17.760888|36.858105|
|2.585684|5.620909|3.539664|4.825340|5.392130|7.484114|10.497527|12.451005|36.858105|
|2.292070|4.818838|3.091593|3.950176|4.804783|7.262103|9.359697|7.743884|12.704997|36.858105|
|1.981843|4.053802|2.539716|3.068193|3.568080|5.710474|6.197574|4.929296|7.107333|13.183028|36.858105|
|1.822947|3.686694|2.248488|2.656840|2.936355|4.727579|4.833038|3.962679|5.591310|7.275174|13.632443|36.858105|
|1.626631|3.232911|1.961215|2.253831|2.481281|4.107020|3.952974|3.116424|4.004303|5.011452|7.972614|13.848148|36.858105|
|1.561280|3.078456|1.886988|2.142370|2.406633|4.076757|3.807440|2.878786|3.507529|4.551662|6.872222|7.884561|13.580147|36.858105|
|1.652130|3.270245|2.040613|2.329365|2.702840|4.631145|4.344002|3.169320|3.772637|5.264724|7.794075|6.746858|7.862869|13.844030|36.858105|
|1.863870|3.754150|2.379066|2.796234|3.344839|5.610947|5.654443|4.108725|5.069430|8.351101|13.598072|7.890527|6.929393|8.048128|13.678621|36.858105|
|2.015156|4.084133|2.658793|3.154483|4.007833|6.850230|6.995255|4.640412|5.199882|8.529546|8.498032|5.355354|4.642827|5.157267|7.594153|13.869070|53.358707|
|1.941452|3.884461|2.538811|2.933943|3.740102|6.687220|6.200972|3.964545|4.179090|5.980587|5.950825|4.269468|3.935212|4.543643|6.657517|9.018921|26.109000|0.500000|
|2.308286|4.811931|3.190364|4.010094|5.367591|8.544912|10.814071|6.929202|7.642381|14.147104|8.502001|5.257823|4.175099|4.187702|5.294085|8.535663|18.866246|0.250310|36.858105|
|2.622150|5.547432|3.864757|4.992612|7.868465|12.590636|17.712619|7.665531|6.279278|7.496566|5.136852|3.763531|3.144275|3.162031|3.818793|5.185702|10.235721|0.187839|12.687088|36.858105|
|2.686447|5.583968|3.989287|4.835327|7.790950|15.118430|12.657676|5.711054|5.011532|5.894229|4.482267|3.396444|2.926378|3.001124|3.642025|4.740630|9.278185|0.187232|9.014505|17.652844|0.500000|
|2.377610|4.920915|3.334931|4.097007|5.751158|9.862547|10.444720|5.840968|4.657895|5.277594|4.104302|3.183351|2.765899|2.833424|3.399004|4.314940|8.107771|0.165528|7.487287|12.437917|0.249343|36.858105|
|2.090709|4.281082|2.782078|3.373775|4.273635|7.115290|7.615847|5.195211|4.399690|5.038340|4.148791|3.276142|2.872711|2.947068|3.508102|4.365186|7.673183|0.153614|6.461084|7.441428|0.158126|13.726517|36.858105|
|1.919787|3.859631|2.463414|2.877701|3.468716|5.950520|5.649979|3.938954|3.388942|3.707607|3.245288|2.708480|2.453719|2.534850|2.942280|3.430236|5.643865|0.117828|4.414360|4.981753|0.118003|7.933140|13.784767|36.858105|
|1.949193|3.869880|2.485036|2.815793|3.381974|6.043869|5.161616|3.438102|2.919516|3.119657|2.741578|2.325102|2.130315|2.207999|2.543176|2.905323|4.772280|0.102420|3.712007|4.426405|0.111955|6.870101|7.957997|13.794585|36.858105|
|2.174109|4.319258|2.852271|3.191332|3.976775|7.457161|5.805599|3.595938|2.982499|3.163287|2.720402|2.285355|2.080770|2.153888|2.494053|2.881337|4.853402|0.105344|3.863288|5.011384|0.133232|7.881836|6.847633|7.914616|13.709639|36.858105|
|2.436143|4.947008|3.391631|3.927659|5.378771|10.290532|8.058682|4.498739|3.615727|3.885621|3.194859|2.599987|2.320258|2.390916|2.811957|3.374504|5.975692|0.128540|5.035915|7.582758|0.202331|13.695974|7.954255|6.904806|7.983665|13.773589|36.858105|
|2.145826|4.139794|2.705410|2.853923|3.381085|6.603527|4.567701|2.865565|2.428218|2.518357|2.216746|1.914071|1.767506|1.827374|2.077004|2.332424|3.788473|0.082311|2.958535|3.685491|0.103892|4.782257|4.223751|4.732830|6.923080|11.009679|7.130740|448.794386|
|1.743612|3.402564|2.136384|2.359487|2.715524|4.868162|4.021577|2.766966|2.417582|2.549668|2.312509|2.020341|1.884812|1.955858|2.209242|2.442320|3.849009|0.082532|2.916257|3.306610|0.085847|4.503840|5.152169|7.891964|13.055832|7.609454|5.081487|48.614429|53.358707|
|1.667526|3.256784|2.012523|2.233629|2.509570|4.402433|3.742186|2.670674|2.348083|2.439719|2.228785|1.976353|1.844808|1.895544|2.107806|2.315641|3.557548|0.074754|2.710777|2.991128|0.076450|3.916675|4.663692|6.983826|8.419428|5.497389|4.142619|36.678732|21.696036|73.516695|
|1.664062|3.204585|2.010706|2.173049|2.490357|4.566055|3.600318|2.441893|2.166563|2.296058|2.110219|1.856494|1.751681|1.833065|2.069387|2.252599|3.536036|0.077046|2.628788|2.966142|0.079508|3.872190|4.162141|5.618722|8.373249|6.607125|4.520448|51.513193|21.807050|15.994641|73.516695|
|17.509422|16.462713|7.225365|4.753562|3.763263|6.733286|4.097795|2.759983|2.407965|2.169104|1.881037|1.722576|1.546936|1.497189|1.592546|1.790521|2.656421|0.052737|2.219566|2.556234|0.073104|2.373363|2.082441|1.936532|1.996698|2.248122|2.489612|18.225179|2.444347|3.041820|3.063461|0.500000|
|17.507985|16.462142|7.223908|4.748264|3.762186|6.706607|4.109067|2.769662|2.510863|2.261615|1.974308|1.819066|1.631351|1.570930|1.662232|1.866875|2.740340|0.054042|2.283643|2.567754|0.074375|2.296886|2.012008|1.839974|1.865357|2.084142|2.347531|16.526917|2.270936|2.823660|2.848264|0.299633|0.500000|
|17.618788|16.892717|5.863688|4.384002|3.347485|5.691600|3.804943|2.688441|2.412920|2.126302|1.858988|1.732816|1.551230|1.480803|1.552433|1.738675|2.526595|0.049537|2.111574|2.351649|0.066078|2.152410|1.928392|1.783093|1.800513|1.977692|2.185199|15.646836|2.214751|2.791542|2.758278|0.299739|0.299737|0.500000|
|7.267372|16.516420|17.537486|8.835106|6.900205|12.595388|6.427890|3.926396|3.418043|3.074855|2.562029|2.268488|1.990586|1.925124|2.085951|2.421429|3.677814|0.072007|3.192949|3.795486|0.113291|3.188286|2.647398|2.333081|2.349191|2.699401|3.228967|20.633223|2.755181|3.370599|3.419900|0.175426|0.216077|0.147325|0.500000|
|7.281134|16.514130|17.547247|8.837929|6.890785|12.760199|6.373374|3.891964|3.168485|2.852014|2.366705|2.088670|1.842510|1.793807|1.952708|2.260840|3.480717|0.068980|3.022507|3.754174|0.108880|3.397114|2.809820|2.535779|2.624636|3.081796|3.625161|24.219085|3.078017|3.755167|3.807088|0.216587|0.175885|0.147457|0.302242|0.500000|
|4.905096|13.194176|8.927757|17.554039|8.880202|11.085368|9.308785|6.540358|4.586644|3.688227|2.890297|2.531568|2.153700|2.040703|2.204547|2.626723|4.000467|0.076078|3.703425|4.563442|0.117617|4.029655|3.428760|2.980146|2.917405|3.256592|3.887122|23.343524|3.346656|4.190641|3.978858|0.127742|0.117428|0.119059|0.173999|0.212995|0.500000|
|4.906562|13.234324|8.919537|17.563771|8.858766|10.929599|9.455892|6.710389|5.459465|4.206401|3.265563|2.870629|2.399300|2.238161|2.398595|2.883958|4.299775|0.080039|4.022439|4.626287|0.122828|3.687936|3.142786|2.663712|2.550664|2.811985|3.405010|20.067032|2.941751|3.674492|3.541008|0.117568|0.127397|0.119207|0.212041|0.173980|0.303761|0.500000|
|2.623569|5.737667|3.661670|5.124347|5.935475|8.062274|12.501141|17.556977|8.859741|6.810280|4.664788|3.790114|3.037830|2.835190|3.128859|4.003745|6.166912|0.109078|6.425836|7.043483|0.142465|6.421711|6.334959|4.711074|3.923505|3.931329|4.767028|24.280312|4.239456|5.425255|4.760865|0.070066|0.068556|0.067679|0.092534|0.096155|0.153135|0.139752|0.500000|
|3.282590|7.673978|4.824964|7.789858|7.264589|8.863634|12.426905|17.691868|8.808199|5.601620|3.999872|3.427139|2.757276|2.529441|2.719162|3.376680|5.030674|0.090469|5.027056|5.614793|0.128462|4.636666|4.182798|3.399076|3.071751|3.230796|3.898967|21.556560|3.462207|4.409738|4.022508|0.084749|0.084414|0.084409|0.117322|0.117968|0.239646|0.235293|0.304684|0.500000|
|2.373771|5.087792|3.087324|4.051615|4.266849|6.137107|7.654764|8.878067|17.531756|8.874748|6.466321|5.756315|4.085645|3.450169|3.560861|4.557543|6.002813|0.100700|5.789662|4.837218|0.110283|3.989909|4.020389|3.212711|2.738744|2.721770|3.172936|17.955368|3.153156|4.077545|3.674544|0.061548|0.063603|0.062642|0.081981|0.077643|0.112032|0.126482|0.220758|0.207812|0.500000|
|2.770386|6.062837|3.776003|5.087779|5.334631|7.452121|9.106592|8.813462|17.512234|8.885653|6.108553|5.210827|3.817205|3.312919|3.486124|4.495933|6.142981|0.103713|6.122063|5.313304|0.128322|3.930446|3.609096|2.889370|2.571299|2.673094|3.220421|18.037505|2.947222|3.726481|3.503487|0.070241|0.075632|0.071855|0.103572|0.090841|0.128036|0.173829|0.174012|0.217578|0.302864|0.500000|
|1.863172|3.785445|2.272336|2.698048|2.887523|4.573622|4.696478|4.021052|5.856999|6.447564|8.842911|17.707049|8.933496|5.614920|4.885439|5.610114|5.898443|0.098901|4.559023|3.466657|0.086620|2.946552|3.021197|2.530776|2.189992|2.155878|2.439331|14.639405|2.608523|3.360890|3.124463|0.048552|0.051448|0.049577|0.063265|0.058086|0.071946|0.082538|0.105703|0.099516|0.181783|0.157140|0.500000|
|1.532879|3.025457|1.811550|2.058815|2.220119|3.681380|3.467498|2.752728|3.463512|4.035473|5.656153|8.958092|17.719939|8.883192|5.627905|4.981664|5.008292|0.089518|3.410455|2.693959|0.070192|2.408209|2.503087|2.185538|1.918311|1.870626|2.059954|12.937895|2.342796|3.016242|2.855083|0.040443|0.042718|0.040899|0.051018|0.047265|0.054966|0.061093|0.074713|0.069289|0.100510|0.093644|0.215483|0.500000|
|1.440190|2.811875|1.711889|1.914914|2.128129|3.643280|3.298691|2.477272|2.930196|3.622640|4.951732|5.635651|8.882979|17.716380|8.978869|5.691246|5.628417|0.106473|3.422316|2.713438|0.072555|2.487072|2.590226|2.287818|2.019893|1.965647|2.147954|13.590412|2.475123|3.141503|3.056896|0.038478|0.040329|0.038080|0.048576|0.045435|0.050856|0.055325|0.068115|0.061492|0.080676|0.077843|0.123986|0.215599|0.500000|
|1.575391|3.089356|1.932024|2.171084|2.528145|4.427355|3.979904|2.830515|3.220404|4.295274|5.568543|4.885675|5.599140|8.899887|17.710750|8.829117|9.127193|0.187976|4.609014|3.548998|0.096602|3.269712|3.365042|2.896577|2.542831|2.494689|2.774547|16.821220|3.034285|3.748660|3.759929|0.042472|0.044125|0.041056|0.055012|0.051899|0.057141|0.061290|0.078213|0.068191|0.084140|0.083307|0.106366|0.123741|0.215113|0.500000|
|2.008683|4.122943|2.637197|3.228758|3.972437|6.430159|7.292099|5.478315|4.998673|6.009313|5.003064|3.868008|3.327735|3.375695|4.018841|5.150356|8.658797|0.160745|7.269162|6.853733|0.143193|8.891229|17.750129|8.968543|5.668238|4.941558|5.645897|27.389811|5.715079|7.133582|6.198272|0.054942|0.053864|0.051891|0.070116|0.072445|0.090819|0.086293|0.190366|0.119347|0.130286|0.109540|0.097899|0.079388|0.080873|0.103791|0.500000|
|1.760714|3.515244|2.201022|2.548759|2.968752|5.052646|4.780710|3.494436|3.116206|3.387421|3.074175|2.635334|2.419812|2.496473|2.846300|3.228758|5.055702|0.104344|3.842793|4.055632|0.097457|5.639095|8.900607|17.771757|8.988927|5.653304|4.973015|31.405074|10.066349|13.706754|9.376696|0.049202|0.046885|0.045876|0.058008|0.062483|0.073720|0.066639|0.116357|0.085252|0.084622|0.074048|0.068658|0.060390|0.063147|0.077885|0.215333|0.500000|
|2.681272|5.421843|3.848761|4.304508|6.108813|13.266419|8.100769|4.278720|3.459121|3.648225|3.004778|2.468726|2.207409|2.267726|2.646936|3.151038|5.503188|0.118358|4.646185|7.092793|0.218824|8.914572|5.656089|4.972196|5.676206|8.977587|17.759504|55.132701|5.612804|6.130008|6.867739|0.076765|0.072237|0.065659|0.102982|0.117337|0.114466|0.100833|0.118846|0.106053|0.083225|0.088495|0.064724|0.054715|0.056831|0.072646|0.124084|0.107929|0.500000|
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