Version2.4
2021-05-21T13:41:38Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
12-Jul-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1cc2c(cc1Br)OCC(=O)N2CC(=O)NCc3ccc([nH+]c3)N4CCCC4 C32161365
RHF
6-31G(d)
(6D,7F)
c1cc2c(cc1Br)OCC(=O)N2CC(=O)NCc3ccc([nH+]c3)N4CCCC4
C01[X(C20H22Br1N4O3)]
144
C1
479
O=C(CN1C(=O)COc2c1ccc(c2)Br)NCc1ccc([nH+]c1)N1CCCC1
O=C(CN1C(=O)COc2c1ccc(c2)Br)NCc1ccc([nH+]c1)N1CCCC1
Brc1ccc2N(CC(=O)NCc3ccc([nH+]c3)N4CCCC4)C(=O)COc2c1
InChIKey=BGDBKGDZZIXGEA-UHFFFAOYSA-O
InChI=1S/C20H21BrN4O3/c21-15-4-5-16-17(9-15)28-13-20(27)25(16)12-19(26)23-11-14-3-6-18(22-10-14)24-7-1-2-8-24/h3-6,9-10H,1-2,7-8,11-13H2,(H,23,26)/p+1
InChI=1/C20H21BrN4O3/c21-15-4-5-16-17(9-15)28-13-20(27)25(16)12-19(26)23-11-14-3-6-18(22-10-14)24-7-1-2-8-24/h3-6,9-10H,1-2,7-8,11-13H2,(H,23,26)/p+1/fC20H22BrN4O3/h22-23H/q+1
c1cc2c(cc1Br)OCC(=O)N2CC(=O)NCc3ccc([nH+]c3)N4CCCC4
C01[X(C20H22Br1N4O3)]
144
C01
479
O=C(CN1C(=O)COc2c1ccc(c2)Br)NCc1ccc([nH+]c1)N1CCCC1
O=C(CN1C(=O)CO[C]2[C]1[CH][CH][C]([CH]2)Br)NC[C]1=CN[C]([CH]=[CH]1)[N]1CCCC1
Br[C]1[CH][CH][C]2[C]([CH]1)OCC(=O)N2CC(=O)NCC3=CN[C](C=C3)N4CCCC4
InChIKey=KWVTWMWLMOZSSP-UHFFFAOYSA-N
InChI=1S/C20H22BrN4O3/c21-15-4-5-16-17(9-15)28-13-20(27)25(16)12-19(26)23-11-14-3-6-18(22-10-14)24-7-1-2-8-24/h3-6,9-10,22H,1-2,7-8,11-13H2,(H,23,26)
InChI=1/C20H22BrN4O3/c21-15-4-5-16-17(9-15)28-13-20(27)25(16)12-19(26)23-11-14-3-6-18(22-10-14)24-7-1-2-8-24/h3-6,9-10,22H,1-2,7-8,11-13H2,(H,23,26)/f/h23H
2909.3018462379
-3782.3032739
1-A
23618.1957
114
365
479
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8.92689
-24.7951 -3.5784 1.0409
25.0736
|XX|YY|ZZ|XY|XZ|YZ|
-6.3926 -136.3353 -174.9170 -0.0316 6.5826 -9.8930
|XX|YY|ZZ|XY|XZ|YZ|
99.4890 -30.4537 -69.0354 -0.0316 6.5826 -9.8930
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-1055.7369 -18.4201 -9.2357 -52.8678 24.6080 -55.9068 46.3051 -3.1372 0.6725 20.5493
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144
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10.4396 13.7794 23.4517 29.3065 54.3396 62.4340 74.1163 86.8076 108.8141 123.0280 130.0142 156.0474 164.1627 183.3768 217.6691 219.3261 245.3512 264.8529 269.6791 273.0357 297.2825 303.1449 343.6046 379.0321 393.8164 421.2027 425.5499 436.4154 480.5225 484.2666 502.3392 524.6752 548.2971 551.1120 582.3324 584.1451 625.5170 631.7099 649.6431 668.9649 676.8548 700.6940 702.8715 738.8333 768.8102 776.1134 805.6889 813.3455 825.2824 859.3294 866.0809 923.2968 928.3969 941.1528 946.8846 953.5504 964.5450 986.3793 998.9747 1016.2762 1021.8521 1023.9875 1049.7910 1077.5675 1083.2552 1098.1673 1124.0768 1139.0557 1141.9102 1142.2819 1152.9314 1180.7549 1186.2285 1197.3499 1222.3282 1232.2120 1242.2953 1252.7276 1287.3580 1288.8322 1317.9464 1322.1922 1331.4263 1336.2012 1352.3157 1364.0187 1382.4337 1383.3984 1402.4172 1406.6054 1408.6036 1410.3987 1448.2362 1472.1345 1492.8046 1501.7129 1502.7181 1523.4642 1525.4993 1534.7181 1550.2467 1557.4772 1569.5693 1587.3597 1595.2241 1611.5128 1626.9709 1628.2771 1632.2295 1637.7327 1646.0842 1665.9497 1678.4633 1679.4380 1712.7062 1730.9445 1784.6241 1807.7204 1814.2784 1868.4683 1937.0388 1964.9697 3210.6933 3217.6018 3238.8648 3241.7439 3245.0301 3256.0766 3263.9082 3268.0940 3300.0808 3306.3943 3314.3777 3323.9156 3324.6074 3350.1814 3399.7582 3416.7672 3419.4863 3423.8822 3429.8776 3449.1665 3865.4456 3876.5472
6.8157 5.4435 4.3742 6.2284 5.8993 4.2018 8.0036 8.8344 2.9482 6.1130 3.4629 5.4226 4.4370 5.0300 5.6493 4.0501 4.7954 4.8410 1.6979 4.5816 7.4338 5.4408 3.8663 2.7272 3.6121 4.4315 4.0105 3.9647 3.0079 1.5911 4.0458 3.1288 6.3171 3.3598 2.9947 4.3448 1.8852 4.1091 3.7329 3.6547 4.9615 2.9954 3.7628 1.6245 4.5638 6.0606 3.1535 3.9772 3.8759 4.6083 4.9391 1.6785 1.4028 5.1939 1.5773 1.9466 2.8198 2.7476 2.9717 1.5712 1.4577 1.5252 4.0312 1.5153 1.3635 3.0332 3.5136 1.9837 2.2100 1.9592 1.7484 2.5991 2.5549 4.7937 3.4162 3.7916 2.5978 1.7603 2.0977 2.4673 1.6756 1.5948 1.5105 1.7754 1.9240 1.3888 1.2787 1.2436 1.3326 1.2192 1.3729 1.7184 2.4317 1.3426 1.4141 2.8702 1.3450 1.4466 1.5241 1.3881 1.5371 2.9192 1.6870 4.2063 2.6154 2.0415 1.1108 1.0998 1.1209 1.0937 1.1077 1.0921 1.2131 2.3909 1.8777 4.9427 7.9781 6.5176 2.6491 5.5806 10.9839 9.4490 1.0604 1.0707 1.0637 1.0751 1.0685 1.0675 1.0997 1.0645 1.1011 1.1028 1.1074 1.1032 1.1011 1.0968 1.0902 1.0962 1.0944 1.0966 1.0925 1.0961 1.0792 1.0791
0.0004 0.0006 0.0014 0.0032 0.0103 0.0097 0.0259 0.0392 0.0206 0.0545 0.0345 0.0778 0.0705 0.0997 0.1577 0.1148 0.1701 0.2001 0.0728 0.2012 0.3871 0.2946 0.2689 0.2308 0.3301 0.4632 0.4279 0.4449 0.4092 0.2198 0.6015 0.5075 1.1189 0.6012 0.5983 0.8735 0.4346 0.9661 0.9282 0.9636 1.3392 0.8665 1.0953 0.5225 1.5893 2.1509 1.2061 1.5502 1.5553 2.0050 2.1828 0.8431 0.7124 2.7106 0.8332 1.0428 1.5456 1.5750 1.7473 0.9561 0.8968 0.9423 2.6175 1.0367 0.9427 2.1552 2.6158 1.5164 1.6979 1.5062 1.3693 2.1350 2.1182 4.0492 3.0072 3.3919 2.3622 1.6276 2.0483 2.4147 1.7148 1.6427 1.5776 1.8676 2.0730 1.5224 1.4398 1.4023 1.5442 1.4213 1.6050 2.0140 3.0049 1.7144 1.8567 3.8136 1.7895 1.9782 2.0897 1.9263 2.1765 4.1721 2.4486 6.2446 3.9213 3.1236 1.7325 1.7180 1.7594 1.7283 1.7684 1.7858 2.0136 3.9732 3.2452 8.7252 14.9708 12.5488 5.1376 11.4790 24.2819 21.4954 6.4405 6.5311 6.5744 6.6569 6.6292 6.6684 6.9021 6.6983 7.0653 7.1029 7.1675 7.1812 7.1709 7.2528 7.4239 7.5400 7.5395 7.5738 7.5725 7.6831 9.5006 9.5543
0.5065 1.1369 1.4957 0.4034 1.7135 0.7193 8.0376 3.8530 1.5415 6.4265 0.2866 4.1745 8.3422 2.5558 2.3294 1.3242 2.9192 3.4843 0.5202 5.4398 4.1830 0.7188 3.2397 11.7283 18.5354 17.0160 3.8308 4.6398 22.7588 137.2217 3.3279 12.1903 26.4856 4.6010 38.1421 9.6933 1.5045 6.9985 14.2582 4.2325 18.2157 16.7813 2.6384 37.9825 11.2779 2.3758 10.5548 3.1843 26.5495 11.0093 12.9353 45.0435 40.8987 66.5481 21.7710 4.1745 2.6201 0.1933 11.3570 2.0873 21.8516 2.3273 6.2299 4.4416 0.0656 13.5722 5.4687 11.5946 16.9106 0.7732 0.9538 6.1014 9.9180 73.8680 51.4931 41.1175 8.5030 2.3872 19.1754 107.8404 23.2617 12.0577 96.8354 68.9406 245.3450 17.3931 5.0305 42.9711 33.5432 48.0486 4.8727 54.2033 77.1156 0.9436 96.0344 75.3181 1.0569 40.7853 27.1121 23.0471 30.8683 253.2257 63.8069 120.8988 71.3362 150.2302 22.8184 12.2589 12.8245 7.2070 14.7010 2.5183 169.4198 199.4971 400.2758 160.3963 6.6406 1.8160 697.8871 439.9227 657.1268 189.3455 27.1142 25.8719 16.6867 17.8657 9.0539 29.6662 30.4429 19.2699 11.3331 14.6077 30.0832 3.9476 1.3601 9.7756 7.0460 2.5869 1.0894 0.4391 11.5369 6.0885 106.9636 47.5978
1.7825 0.9470 1.9991 0.8464 1.9506 0.2762 1.7987 0.6392 2.3704 1.6133 1.2777 0.5769 0.3966 0.9011 2.4001 1.7677 0.9132 1.9908 0.0503 1.8245 3.1244 1.5852 5.0486 3.6404 2.3443 1.4633 3.3837 0.8503 1.7503 0.6413 1.6962 1.4075 0.2070 1.7741 1.7397 2.9377 0.8364 1.5977 4.1817 1.4135 1.1554 3.2038 2.3917 0.6074 10.3760 12.0362 0.6254 2.7390 2.4450 21.4545 2.0314 5.4067 1.7632 0.5553 2.9396 1.0531 6.5540 11.8900 1.8729 1.9958 1.3994 2.3582 0.8745 2.0038 1.5877 0.5726 9.8874 4.6639 5.0925 9.8036 8.1984 3.0734 9.9582 1.8625 1.9172 1.6661 8.4103 1.1009 4.0472 21.6047 1.0980 1.2237 4.9172 6.3775 8.2967 3.2251 11.1157 4.5536 36.7218 10.0503 1.9076 13.1897 56.4262 1.0674 7.4252 26.3090 2.1683 7.5556 10.1839 6.6665 12.7851 8.3968 12.5538 8.0517 24.5337 4.1130 15.0978 15.9309 10.6926 18.1885 15.2639 0.8202 10.2113 24.5273 6.3433 12.6023 8.7051 114.1943 14.3156 17.8425 15.7569 5.6137 72.3168 74.1873 47.4874 162.4014 32.7444 100.4714 62.2463 70.3219 78.1782 127.6676 99.0900 46.4295 54.6762 98.5679 44.7267 91.2718 86.0189 81.4878 98.4450 75.1754 43.1402 44.0602
0.7315 0.7486 0.7182 0.6710 0.7381 0.6964 0.7485 0.7163 0.7205 0.6622 0.7499 0.7200 0.4939 0.7468 0.2769 0.3031 0.7445 0.6826 0.7485 0.3897 0.4042 0.5051 0.3599 0.3952 0.2195 0.7383 0.7188 0.5847 0.4964 0.7500 0.7496 0.3611 0.4987 0.4702 0.2667 0.7476 0.6875 0.7379 0.1024 0.4471 0.7467 0.5976 0.7496 0.7497 0.2318 0.0904 0.7320 0.0837 0.4096 0.1311 0.6887 0.2629 0.5208 0.5835 0.2387 0.5834 0.1637 0.0764 0.3243 0.7496 0.7412 0.4571 0.1624 0.7309 0.5824 0.6458 0.1102 0.6089 0.6569 0.3848 0.2355 0.4291 0.1240 0.5684 0.7230 0.2922 0.2645 0.7146 0.1515 0.3598 0.5428 0.7117 0.3299 0.7500 0.3727 0.4782 0.4192 0.4174 0.4125 0.7268 0.7486 0.3231 0.1506 0.3808 0.4161 0.2451 0.4731 0.6860 0.4149 0.1089 0.1990 0.5827 0.2812 0.3048 0.2343 0.7151 0.6751 0.6936 0.7441 0.7468 0.6827 0.4008 0.4866 0.3056 0.4698 0.6224 0.4980 0.4873 0.6641 0.2210 0.4257 0.4425 0.1222 0.1425 0.1630 0.1383 0.7371 0.1082 0.3243 0.0970 0.2034 0.4185 0.7440 0.7148 0.4823 0.3817 0.6384 0.1600 0.2554 0.2400 0.4827 0.1167 0.3066 0.2023
0.8449 0.8563 0.8360 0.8031 0.8493 0.8210 0.8562 0.8347 0.8375 0.7968 0.8571 0.8372 0.6612 0.8551 0.4338 0.4652 0.8535 0.8114 0.8562 0.5609 0.5757 0.6712 0.5293 0.5665 0.3600 0.8494 0.8364 0.7379 0.6635 0.8571 0.8569 0.5306 0.6655 0.6397 0.4212 0.8556 0.8148 0.8492 0.1858 0.6179 0.8550 0.7481 0.8569 0.8569 0.3764 0.1659 0.8453 0.1544 0.5812 0.2318 0.8156 0.4163 0.6849 0.7370 0.3854 0.7369 0.2813 0.1420 0.4897 0.8569 0.8513 0.6274 0.2795 0.8445 0.7361 0.7848 0.1985 0.7569 0.7929 0.5558 0.3813 0.6006 0.2207 0.7248 0.8392 0.4522 0.4183 0.8335 0.2631 0.5292 0.7036 0.8316 0.4961 0.8571 0.5430 0.6470 0.5908 0.5890 0.5841 0.8418 0.8563 0.4884 0.2618 0.5516 0.5877 0.3937 0.6423 0.8138 0.5865 0.1965 0.3320 0.7364 0.4390 0.4672 0.3797 0.8339 0.8060 0.8191 0.8533 0.8551 0.8114 0.5722 0.6546 0.4681 0.6392 0.7673 0.6648 0.6552 0.7981 0.3619 0.5972 0.6135 0.2177 0.2494 0.2803 0.2430 0.8487 0.1952 0.4898 0.1768 0.3380 0.5901 0.8532 0.8337 0.6507 0.5526 0.7793 0.2758 0.4069 0.3870 0.6511 0.2091 0.4693 0.3365
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 35 8 6 6 8 7 6 6 8 7 6 6 6 6 6 7 1 6 7 6 6 6 6 1 1 1 1 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 78.91834 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 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
4355.3323 42088.2960 44686.6739
0.99994 -0.00883 0.00709 0.00890 0.99991 -0.01029 -0.00699 0.01036 0.99992
1
0.01989 0.00206 0.00194
0.41438 0.04288 0.04039
15.02 19.83 33.74 42.17 78.18 89.83 106.64 124.90 156.56 177.01 187.06 224.52 236.19 263.84 313.18 315.56 353.01 381.06 388.01 392.84 427.72 436.16 494.37 545.34 566.61 606.02 612.27 627.90 691.36 696.75 722.75 754.89 788.88 792.93 837.85 840.45 899.98 908.89 934.69 962.49 973.84 1008.14 1011.28 1063.02 1106.15 1116.65 1159.21 1170.22 1187.40 1236.38 1246.10 1328.42 1335.76 1354.11 1362.36 1371.95 1387.77 1419.18 1437.30 1462.19 1470.22 1473.29 1510.42 1550.38 1558.56 1580.02 1617.30 1638.85 1642.95 1643.49 1658.81 1698.84 1706.72 1722.72 1758.66 1772.88 1787.39 1802.40 1852.22 1854.34 1896.23 1902.34 1915.63 1922.50 1945.68 1962.52 1989.01 1990.40 2017.77 2023.79 2026.67 2029.25 2083.69 2118.07 2147.81 2160.63 2162.08 2191.93 2194.85 2208.12 2230.46 2240.86 2258.26 2283.86 2295.17 2318.61 2340.85 2342.73 2348.41 2356.33 2368.35 2396.93 2414.93 2416.34 2464.20 2490.44 2567.68 2600.91 2610.34 2688.31 2786.97 2827.15 4619.47 4629.41 4660.00 4664.15 4668.87 4684.77 4696.04 4702.06 4748.08 4757.16 4768.65 4782.37 4783.37 4820.16 4891.49 4915.97 4919.88 4926.20 4934.83 4962.58 5561.51 5577.49
0.439073
0.462396
0.463340
0.381160
-3781.864200
-3781.840878
-3781.839934
-3781.922114
2.756331D-04
MUNgauss
RevisionA2.1
retrievium
21-May-2021
DUDE c1cc2c(cc1Br)OCC(=O)N2CC(=O)NCc3ccc([nH+]c3)N4CCCC4 C32161365
RHF
6-31G(d)
(6D,10F)
C1
445.087527
|X|Y|Z|
45.295381 24.563632 144.788660
54.411874
25
|36.858105|
|13.743257|36.858105|
|7.936375|13.775134|36.858105|
|6.909667|7.969995|13.713039|36.858105|
|7.920607|6.858052|7.900782|13.826405|36.858105|
|13.796861|7.963920|6.890127|8.014886|13.767171|36.858105|
|6.703995|4.602236|4.091249|4.619774|6.711133|10.071397|2539.412838|
|4.631390|5.259488|8.059978|14.045263|8.048017|5.261971|124.603737|73.516695|
|3.934978|4.699028|6.993395|8.246285|5.438974|4.128683|102.989044|24.196972|36.858105|
|3.987043|5.220358|7.930782|6.846552|4.592017|3.834897|95.127311|14.046477|12.588586|36.858105|
|3.244797|4.094802|5.423881|4.780192|3.559816|3.096802|80.953511|9.697428|7.985549|15.822137|73.516695|
|5.114046|7.707234|13.442420|7.964573|5.185397|4.558004|106.785173|12.608239|7.857450|14.052874|15.092990|53.358707|
|4.350125|6.326101|7.571503|5.121949|3.890295|3.700928|92.529114|8.291917|5.081790|8.008553|12.741270|17.977966|36.858105|
|3.730376|5.090105|5.498103|4.053142|3.258261|3.173460|82.793987|6.700464|4.324044|6.341192|11.635107|10.576908|12.509894|36.858105|
|3.899680|5.246306|5.453021|4.082918|3.343733|3.296128|86.037253|6.623697|4.319530|5.863875|10.256255|9.302095|7.980757|15.897611|73.516695|
|2.995750|3.813049|4.023357|3.199712|2.668993|2.610341|71.078198|5.466996|3.488150|4.784408|9.581262|7.188303|7.835483|14.047125|15.097939|53.358707|
|2.577794|3.136837|3.229739|2.682645|2.307370|2.275546|63.848177|4.621765|2.952414|3.773026|7.580574|5.370120|5.019288|7.799005|12.239977|17.962026|36.858105|
|2.290441|2.727053|2.900898|2.506279|2.155636|2.082831|59.113180|4.467623|2.933317|3.663376|7.780725|4.827415|4.154664|5.750217|9.637891|10.498776|12.552377|36.858105|
|2.372811|2.829538|3.118542|2.741109|2.321549|2.195087|61.749138|5.011477|3.439455|4.298436|9.633320|5.277296|4.233242|5.651613|10.022164|8.576663|7.406155|13.312874|36.858105|
|2.087486|2.422818|2.677148|2.444686|2.103300|1.972842|56.571025|4.570045|3.129918|3.670356|8.120675|4.382928|3.361866|4.084328|7.307967|5.998555|4.983516|7.821633|14.060457|36.858105|
|1.829254|2.088578|2.262172|2.081732|1.826015|1.731100|50.564123|3.863719|2.556717|2.930080|6.242561|3.613734|2.818066|3.338269|5.873405|5.096652|4.390234|6.751369|7.922350|13.401583|36.858105|
|1.801711|2.060653|2.193231|1.989630|1.754580|1.685106|49.352500|3.630781|2.353341|2.736261|5.727697|3.493733|2.820077|3.394343|5.858467|5.478883|5.048621|8.047676|7.065836|8.104781|14.172179|53.358707|
|1.653223|1.869712|1.973893|1.805059|1.608787|1.551514|45.943012|3.288650|2.101202|2.402932|4.936569|3.095753|2.488779|2.922542|5.043708|4.669696|4.200661|5.874789|5.159454|5.839599|9.415389|26.016726|0.500000|
|1.975961|2.294085|2.416527|2.139306|1.875096|1.817375|52.681499|3.838743|2.474515|2.966067|6.181106|3.897647|3.277873|4.144385|6.999994|7.228627|7.604610|14.192385|8.082181|6.943620|7.949498|18.910217|0.260574|36.858105|
|1.649906|1.853821|2.005006|1.881949|1.671012|1.580281|46.792252|3.521132|2.305971|2.553940|5.325457|3.138320|2.396290|2.735760|4.841858|4.061931|3.366353|4.599661|5.243430|7.866156|14.412826|11.247585|0.212043|5.311126|53.358707|
|1.479618|1.645299|1.757892|1.655848|1.488323|1.418180|42.514485|3.077559|1.971528|2.163389|4.412478|2.711821|2.086298|2.344243|4.116576|3.511659|2.907792|3.753838|3.909470|5.021789|7.711467|9.196223|0.217008|4.550334|17.634112|36.858105|
|1.378334|1.517182|1.626880|1.556839|1.408984|1.335781|40.381705|2.919341|1.861581|1.994638|4.022467|2.481005|1.872932|2.055929|3.625711|3.004691|2.409677|2.976483|3.189653|4.023782|5.243326|6.076799|0.133600|3.381597|11.011245|12.458608|36.858105|
|1.436233|1.578315|1.701551|1.640117|1.483709|1.399238|42.249728|3.092729|1.993292|2.105349|4.235563|2.584963|1.916567|2.108521|3.782440|3.012588|2.400787|2.965394|3.336653|4.353948|5.255801|5.621649|0.115336|3.218766|11.024482|7.934912|12.459833|36.858105|
|1.621191|1.805447|1.970045|1.885011|1.679748|1.573514|46.801752|3.576203|2.358295|2.529809|5.223309|3.048905|2.257753|2.519309|4.522214|3.597651|2.870275|3.700987|4.447284|6.500541|7.729862|7.033499|0.133367|3.920372|17.574262|7.791488|7.931804|12.471951|36.858105|
|17.764962|8.922795|5.650999|4.974840|5.643017|8.929080|219.827520|6.531093|3.240288|3.326218|5.004199|5.635882|3.780320|3.381440|6.315812|3.802387|2.452429|2.161294|2.202646|1.943304|1.723942|2.331492|0.043920|1.883125|2.121792|1.409030|1.311155|1.361167|1.524921|0.500000|
|8.961385|17.758798|8.903949|5.654050|4.948488|5.672106|130.508336|7.530785|4.042424|4.759418|7.035271|9.483035|6.918731|5.909961|10.817522|5.924231|3.540357|2.953038|2.978089|2.499513|2.165617|2.953467|0.054609|2.461860|2.589564|1.692640|1.544960|1.597143|1.827380|0.216467|0.500000|
|5.628709|4.948392|5.643388|8.978105|17.767644|8.858600|218.458519|13.057485|4.981419|4.000405|5.704021|5.745134|3.278852|2.810087|5.112492|3.217871|2.076602|1.972708|2.134476|1.969091|1.721524|2.238858|0.042102|1.737296|2.168121|1.424166|1.360552|1.436748|1.616296|0.123855|0.107521|0.500000|
|3.254016|3.751041|5.124049|5.936076|4.408198|3.441543|90.788037|16.857721|17.678145|8.996981|13.209703|7.970000|4.293443|3.740364|6.509554|4.329542|2.740866|2.800117|3.309974|3.122452|2.570891|3.179184|0.058181|2.408698|3.204806|2.012439|1.923493|2.065105|2.444733|0.076628|0.092470|0.118748|0.500000|
|3.882347|4.518199|6.219329|7.159030|5.224657|4.080022|103.576081|16.475599|17.523293|8.943601|11.790728|8.796581|4.480083|4.133692|7.826526|4.527160|2.912315|2.920933|3.482679|3.195849|2.585071|3.206701|0.058339|2.461343|3.183298|1.986377|1.879338|2.041198|2.419727|0.089776|0.109007|0.134325|0.299853|0.500000|
|4.849992|7.212772|7.319234|4.886058|3.910424|3.915781|97.729872|7.464466|4.246158|5.813305|9.119814|12.521816|17.634849|8.924551|11.736392|8.848377|4.465521|3.594813|3.528505|2.874395|2.483721|3.435442|0.062907|2.934040|2.914424|1.898265|1.711022|1.741043|2.016104|0.119315|0.241629|0.090392|0.100785|0.106158|0.500000|
|3.628728|4.847224|5.823790|4.452141|3.452265|3.224881|83.536902|7.721171|4.752859|7.330343|13.187952|12.571653|17.610715|8.850328|10.535099|10.215671|4.811376|4.147369|4.187283|3.392534|2.884108|3.942977|0.071230|3.346259|3.345589|2.150001|1.930235|1.953591|2.302013|0.089041|0.141355|0.083417|0.118444|0.112827|0.303190|0.500000|
|2.816595|3.532147|3.785386|3.072911|2.566061|2.489398|68.297567|5.339310|3.363169|4.588620|9.362672|6.791732|7.487481|9.364561|10.881670|26.058981|9.043869|6.587016|5.479068|4.099170|3.595838|5.299357|0.093728|5.014652|3.961121|2.553064|2.193932|2.168740|2.571232|0.072867|0.109475|0.063653|0.087061|0.086825|0.175520|0.236946|0.500000|
|2.704468|3.279604|3.283903|2.712413|2.358921|2.358977|66.271209|4.587353|2.911641|3.636365|7.009960|5.267932|4.733158|7.516340|14.101836|12.680286|17.644608|8.908378|6.496373|4.549101|3.966622|5.993385|0.103917|6.079856|4.249411|2.702585|2.270058|2.299290|2.724120|0.072141|0.104497|0.058687|0.073934|0.081642|0.120320|0.118916|0.180692|0.500000|
|2.360530|2.813527|2.843571|2.394916|2.096254|2.087223|59.569177|4.116999|2.569292|3.192206|6.295010|4.589385|4.269324|5.848980|9.161368|12.527291|17.591423|8.900400|5.522393|4.165968|3.956141|6.525292|0.116331|7.312717|4.251925|2.806517|2.317510|2.260568|2.635117|0.063263|0.088373|0.052735|0.066990|0.069950|0.111022|0.117184|0.220350|0.302916|0.500000|
|2.702036|3.294848|3.723606|3.218082|2.661344|2.490898|68.525868|5.879226|4.179279|5.464322|12.501018|6.514646|5.059549|6.997900|13.028975|9.212434|6.878019|8.790009|17.759135|9.091895|5.645751|6.880234|0.111055|5.722919|5.749360|3.265777|2.791126|2.972298|3.870510|0.068620|0.095620|0.067219|0.108542|0.118911|0.112511|0.133472|0.156718|0.179457|0.139215|0.500000|
|2.084794|2.399657|2.691370|2.514102|2.160976|2.000092|57.423843|4.794623|3.350622|3.786938|8.358048|4.361987|3.201661|3.735557|6.802847|5.190627|4.068894|5.590933|9.026745|17.810546|8.826361|7.806260|0.127305|4.996184|9.639889|4.583730|3.982431|4.609010|7.285704|0.053545|0.067539|0.056690|0.094637|0.096572|0.075947|0.089329|0.099390|0.106590|0.095868|0.218934|0.500000|
|1.877394|2.161454|2.239688|1.982582|1.756920|1.719899|50.314926|3.524506|2.226845|2.642167|5.366886|3.552790|3.021897|3.735791|6.254660|6.586367|6.859430|8.923586|5.653717|4.998841|5.753690|12.570400|0.232528|17.766469|5.937009|4.068492|3.078573|2.862483|3.321368|0.050182|0.064911|0.045247|0.060105|0.061249|0.077188|0.085920|0.130308|0.155245|0.217332|0.123854|0.108438|0.500000|
|1.443866|1.599303|1.690254|1.586834|1.435580|1.378506|41.525478|2.919938|1.856895|2.033855|4.090200|2.583380|1.994146|2.261703|4.016263|3.387906|2.863528|3.639504|3.673375|4.516496|6.634733|8.787860|0.220333|4.485890|12.304486|17.537121|8.751773|6.589201|6.164829|0.038416|0.045936|0.038101|0.052129|0.052303|0.050840|0.056488|0.067660|0.075176|0.077600|0.085656|0.113213|0.114745|0.500000|
|1.470480|1.639351|1.750478|1.641999|1.473312|1.405673|42.089591|3.048272|1.941086|2.151092|4.403153|2.714441|2.115786|2.361664|4.072283|3.604261|2.969767|3.804618|3.802784|4.653394|6.945268|9.499144|0.242865|4.765389|12.267422|17.569765|8.738871|5.733941|5.870053|0.038924|0.046989|0.039095|0.055078|0.053691|0.053603|0.061315|0.074090|0.075108|0.081121|0.088075|0.115126|0.121874|0.299508|0.500000|
|1.285930|1.406046|1.495820|1.434021|1.308189|1.246703|37.984184|2.673645|1.686469|1.796323|3.573558|2.258406|1.706284|1.865853|3.300116|2.721668|2.185583|2.635138|2.759989|3.344441|4.214150|5.196599|0.117062|2.997713|7.904849|8.753358|17.615362|8.683141|5.664009|0.034145|0.039816|0.035157|0.048209|0.047351|0.043707|0.048675|0.055183|0.057681|0.059072|0.067941|0.091457|0.077878|0.220230|0.194236|0.500000|
|1.366625|1.504572|1.622661|1.559365|1.408435|1.329224|40.158426|2.944781|1.874956|2.005904|4.062495|2.482656|1.871903|2.025226|3.530052|2.960643|2.329536|2.846944|3.054068|3.795727|4.754065|5.579543|0.120833|3.193548|9.179270|8.850609|17.572620|8.815250|6.817605|0.036016|0.042400|0.037874|0.054328|0.052080|0.047440|0.054149|0.060829|0.060350|0.062363|0.075044|0.105440|0.081148|0.174692|0.223770|0.301880|0.500000|
|1.406506|1.538681|1.644424|1.582984|1.441388|1.367706|41.504540|2.959234|1.896398|1.995593|3.963044|2.474937|1.834357|2.032925|3.692592|2.891352|2.331105|2.847722|3.164075|4.020096|4.777665|5.303587|0.109694|3.089833|9.208196|6.815841|8.816003|17.568152|8.846937|0.037193|0.043364|0.038751|0.054033|0.054426|0.046579|0.051415|0.057248|0.062982|0.061117|0.078733|0.116656|0.077093|0.183792|0.137795|0.216720|0.173855|0.500000|
|1.386849|1.514838|1.638780|1.597027|1.450526|1.361767|41.318721|3.033302|1.947757|2.024095|4.040677|2.473023|1.813297|1.963251|3.517850|2.771925|2.167477|2.614487|2.950937|3.734364|4.217605|4.646645|0.094614|2.775155|7.900939|5.667129|8.693686|17.614017|8.758058|0.036455|0.042286|0.039274|0.056605|0.055375|0.045861|0.051427|0.055700|0.057823|0.056716|0.074975|0.113033|0.069296|0.134881|0.126988|0.196207|0.216896|0.301924|0.500000|
|1.654615|1.846503|2.041572|1.968957|1.742909|1.616303|47.876401|3.793090|2.522541|2.692152|5.637436|3.184320|2.336123|2.555596|4.525080|3.623396|2.804437|3.563491|4.358420|6.226499|6.646733|6.299388|0.118035|3.670043|12.308677|6.196628|6.607832|8.747767|17.571815|0.042960|0.051520|0.046749|0.074025|0.071134|0.057522|0.066951|0.072895|0.073082|0.071247|0.108213|0.206542|0.086666|0.134988|0.146009|0.135072|0.184515|0.174423|0.219505|0.500000|
|1.694289|1.885624|2.056621|1.970230|1.756761|1.645267|48.852558|3.728040|2.478573|2.635102|5.389312|3.164176|2.313954|2.608841|4.791817|3.650822|2.922388|3.738249|4.659226|6.806741|7.007568|6.501742|0.119851|3.805647|12.275764|5.861352|5.725907|8.726305|17.623295|0.044219|0.052916|0.046914|0.070766|0.072012|0.057290|0.064499|0.071163|0.078756|0.073361|0.115340|0.230783|0.088998|0.144873|0.128457|0.126731|0.137835|0.222648|0.194196|0.300366|0.500000|
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