Version2.4
2021-05-20T12:08:02Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
04-Jul-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CC(C)c1nc(no1)c2ccc([nH+]c2)N3CCN(CC3)C(=O)c4ccc(o4)Br C44095298
RHF
6-31G(d)
(6D,7F)
CC(C)c1nc(no1)c2ccc([nH+]c2)N3CCN(CC3)C(=O)c4ccc(o4)Br
C01[X(C19H21Br1N5O3)]
141
C1
477
Brc1ccc(o1)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)c1noc(n1)C(C)C
Brc1ccc(o1)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)c1noc(n1)C(C)C
CC(C)c1onc(n1)c2ccc([nH+]c2)N3CCN(CC3)C(=O)c4oc(Br)cc4
InChIKey=MCWRRJAMSAGBPF-UHFFFAOYSA-O
InChI=1S/C19H20BrN5O3/c1-12(2)18-22-17(23-28-18)13-3-6-16(21-11-13)24-7-9-25(10-8-24)19(26)14-4-5-15(20)27-14/h3-6,11-12H,7-10H2,1-2H3/p+1
InChI=1/C19H20BrN5O3/c1-12(2)18-22-17(23-28-18)13-3-6-16(21-11-13)24-7-9-25(10-8-24)19(26)14-4-5-15(20)27-14/h3-6,11-12H,7-10H2,1-2H3/p+1/fC19H21BrN5O3/h21H/q+1
CC(C)c1nc(no1)c2ccc([nH+]c2)N3CCN(CC3)C(=O)c4ccc(o4)Br
C01[X(C19H21Br1N5O3)]
141
C01
477
Brc1ccc(o1)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)c1noc(n1)C(C)C
O=C(C1=[CH][CH]=C(O1)Br)N1CC[N@@]([C]2[CH]=[CH][C](=CN2)[C]2[N]O[C]([N]2)C(C)C)CC1
CC(C)[C]1[N][C]([N]O1)C2=CN[C](C=C2)N3CCN(CC3)C(=O)c4oc(Br)cc4
InChIKey=XBQDZOOXHRJLTQ-UHFFFAOYSA-N
InChI=1S/C19H21BrN5O3/c1-12(2)18-22-17(23-28-18)13-3-6-16(21-11-13)24-7-9-25(10-8-24)19(26)14-4-5-15(20)27-14/h3-6,11-12,21H,7-10H2,1-2H3
InChI=1/C19H21BrN5O3/c1-12(2)18-22-17(23-28-18)13-3-6-16(21-11-13)24-7-9-25(10-8-24)19(26)14-4-5-15(20)27-14/h3-6,11-12,21H,7-10H2,1-2H3
2843.4876375206
-3798.2036906
1-A
26614.2761
114
363
477
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9.41125
6.5584 0.6135 -0.8989
6.6481
|XX|YY|ZZ|XY|XZ|YZ|
-78.5703 -159.8206 -172.1195 7.8316 3.4248 -2.2064
|XX|YY|ZZ|XY|XZ|YZ|
58.2665 -22.9838 -35.2827 7.8316 3.4248 -2.2064
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
121.2793 90.4695 6.5722 17.3151 259.3150 -51.9700 -48.2048 24.4329 12.3731 -9.7142
|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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
8.9608 18.7191 21.8301 30.6689 39.6396 47.0769 63.8481 74.7627 85.5787 96.0839 119.0765 142.4978 150.9325 182.5850 196.7337 207.1962 241.7327 253.4476 276.1713 282.7149 297.0787 299.2144 313.2353 333.9860 349.1884 375.6406 385.3970 426.8621 433.8394 445.7942 468.3745 478.1074 501.4385 511.0778 532.5994 581.2969 590.3972 617.0103 667.5725 687.4518 697.3731 713.1021 716.4514 753.7019 769.2783 807.1422 810.0607 830.2389 846.9033 886.9630 916.8883 929.2175 944.2092 947.6212 948.1053 1001.8557 1020.7314 1026.9329 1042.4798 1050.9526 1054.5507 1067.5368 1070.2226 1078.9054 1103.7219 1115.4458 1119.8155 1123.3699 1139.6421 1154.8695 1157.8046 1176.0272 1189.5974 1208.8557 1221.2329 1236.3579 1246.9293 1254.2633 1287.8517 1293.7158 1305.6842 1347.9985 1358.4992 1358.9790 1365.8634 1383.1169 1424.6976 1432.7959 1443.3024 1449.4684 1471.6653 1475.9110 1490.8838 1506.8759 1518.9827 1543.6290 1551.3568 1556.7068 1561.2924 1568.1159 1580.4685 1583.8434 1591.8282 1631.7424 1632.0532 1634.3914 1634.9297 1641.7991 1646.7958 1647.3848 1652.9095 1653.6078 1662.7071 1728.7988 1751.7125 1791.9635 1803.4928 1828.1123 1882.1524 1943.2140 3196.0152 3207.6881 3217.2011 3220.3376 3224.5737 3243.0150 3260.7894 3286.4589 3289.9693 3295.2678 3295.3473 3303.4164 3354.4937 3370.5049 3389.6191 3412.3824 3445.4417 3464.6727 3471.5974 3475.5468 3877.3134
6.8345 4.9145 3.8422 5.3416 4.1145 5.6769 4.5683 5.8007 4.0083 5.8097 6.0167 4.5188 8.7706 5.0767 4.1028 3.4469 1.0573 2.4557 4.2457 1.3898 3.5329 4.2582 3.7231 6.8158 4.6681 4.3143 4.2412 3.3756 2.3996 4.0615 4.5034 5.9990 3.1505 3.3150 4.6829 2.5752 5.2076 4.7722 4.1597 2.8555 6.7519 6.1746 3.1347 1.9522 2.4734 4.1009 4.5599 4.2225 7.0691 6.8060 1.9324 1.6374 3.0297 1.3674 2.5310 4.3920 5.8532 1.1372 1.4760 1.6110 3.4142 2.2351 1.6418 6.5851 4.0184 1.6985 3.5003 2.8276 6.4699 1.4159 2.3168 1.7169 1.8308 2.3838 2.1529 3.7943 3.0660 3.4173 1.9847 2.4728 1.8412 2.2081 1.7166 1.2860 1.6480 1.9499 3.2968 1.4714 2.7204 2.1264 1.3548 1.7131 1.5282 3.2546 1.3631 1.4043 2.2225 1.2359 1.7749 1.4457 1.3476 1.9237 2.4402 1.5948 1.0441 1.0457 1.4239 1.1117 1.0657 1.2847 1.1153 1.5910 1.8727 4.8407 7.6979 3.2629 6.6498 4.4168 6.7628 12.3117 1.0763 1.0748 1.0353 1.0364 1.0631 1.0730 1.0889 1.1042 1.1028 1.1041 1.1051 1.1026 1.0940 1.0947 1.0912 1.0944 1.0979 1.0974 1.0934 1.1033 1.0789
0.0003 0.0010 0.0011 0.0030 0.0038 0.0074 0.0110 0.0191 0.0173 0.0316 0.0503 0.0541 0.1177 0.0997 0.0936 0.0872 0.0364 0.0929 0.1908 0.0654 0.1837 0.2246 0.2152 0.4479 0.3354 0.3587 0.3712 0.3624 0.2661 0.4756 0.5821 0.8079 0.4667 0.5102 0.7827 0.5127 1.0695 1.0704 1.0922 0.7951 1.9347 1.8500 0.9480 0.6534 0.8624 1.5741 1.7629 1.7149 2.9873 3.1547 0.9572 0.8330 1.5914 0.7235 1.3405 2.5973 3.5931 0.7066 0.9451 1.0484 2.2370 1.5008 1.1080 4.5163 2.8842 1.2451 2.5861 2.1024 4.9509 1.1127 1.8298 1.3990 1.5264 2.0524 1.8918 3.4172 2.8087 3.1675 1.9394 2.4385 1.8493 2.3640 1.8665 1.3993 1.8114 2.1977 3.9427 1.7797 3.3389 2.6322 1.7288 2.1986 2.0014 4.3542 1.8530 1.9715 3.1515 1.7646 2.5491 2.0946 1.9832 2.8432 3.6431 2.5018 1.6385 1.6458 2.2425 1.7656 1.7028 2.0542 1.7953 2.5632 3.0504 8.5240 13.9172 6.1733 12.7435 8.6969 14.1152 27.3912 6.4775 6.5159 6.3134 6.3323 6.5129 6.6489 6.8214 7.0264 7.0331 7.0641 7.0705 7.0890 7.2530 7.3273 7.3871 7.5080 7.6793 7.7615 7.7642 7.8518 9.5564
1.6328 0.5223 0.2523 0.9839 3.0141 2.0260 2.4585 2.0925 1.5650 1.6678 3.8855 0.7356 0.4495 0.5131 0.2830 2.6020 0.0468 0.3348 5.1490 0.5391 26.7417 2.7721 5.5779 6.1282 8.3767 7.1542 1.4229 0.5316 1.3973 8.6831 2.1115 0.8276 1.7207 4.4228 6.0173 26.9102 9.4529 2.3207 1.7463 18.6117 1.4806 1.8832 20.6641 24.1099 31.5751 8.4277 71.2574 41.1204 42.2364 31.6618 28.7728 16.0837 61.1101 40.1682 0.9474 4.7767 13.7689 1.6057 1.5380 0.5658 52.9874 45.1730 19.1365 21.9501 2.1170 91.5511 39.0204 50.0376 1.4419 3.7283 79.6199 7.6848 34.0253 5.9789 0.0181 12.9929 15.3804 26.2139 152.2294 51.8516 4.0857 16.6304 49.7027 63.5787 20.3525 886.3475 30.9570 8.6125 72.7330 14.3387 0.0214 16.6052 6.5374 13.2979 3.9421 24.1223 282.6253 1.9843 234.5332 41.7406 12.0567 471.4602 33.0532 15.8648 0.0346 3.9099 9.2599 25.1794 13.8835 53.5642 28.9222 61.3257 180.9129 67.4091 104.0171 767.1036 55.9688 383.3265 288.9926 396.0479 19.7346 40.3965 31.1902 9.4885 17.2736 25.4921 1.0071 18.8239 38.0384 27.9057 0.0063 41.3457 2.3841 14.8871 2.1960 2.9635 7.0813 0.1305 1.0734 3.8926 100.0236
1.0239 1.0460 0.2511 0.8129 3.2414 1.3162 1.6080 0.7850 1.1139 1.4983 0.6425 0.8330 3.3955 3.1176 0.1342 1.4888 0.0146 0.4655 0.9626 0.2777 1.0559 0.3969 1.6865 1.4919 1.9242 3.3364 0.8155 0.7903 0.7905 0.4552 1.1144 0.5387 1.9194 0.7659 2.5681 2.5383 2.0693 1.3420 1.6664 1.2657 4.0835 2.6455 8.3664 6.8167 2.2802 2.8469 8.6110 2.1189 2.7736 0.1434 0.5486 1.7378 1.7618 1.0038 12.3487 8.2395 7.0378 0.1859 9.0578 6.5038 2.3951 1.0697 5.2850 9.6725 4.2864 27.2830 14.5388 9.5813 9.2024 2.1964 17.3173 0.6171 2.0215 2.9509 8.2809 7.1704 2.0722 28.2105 20.6412 5.7259 4.5580 13.0713 27.8843 50.8945 26.4901 6.4423 41.4404 24.1721 14.3448 48.4745 8.8098 17.7242 19.9005 15.1076 3.1047 1.0990 16.9888 1.1605 7.2444 6.3617 4.2370 24.6322 31.2596 41.2630 25.2134 5.1981 49.0407 9.6669 19.6804 54.8776 5.8723 151.4496 178.0243 20.0087 86.9633 20.6272 102.0368 14.9646 418.5116 70.8414 45.7539 138.8149 2.2943 208.2879 52.9497 72.6958 81.2604 34.9771 116.2619 33.3524 6.2209 132.6003 67.8135 42.6713 99.4967 49.5902 47.5604 71.1512 81.4811 119.3185 30.5876
0.7325 0.7470 0.7225 0.7444 0.7442 0.7496 0.7295 0.6997 0.7500 0.7427 0.6629 0.6890 0.6307 0.1633 0.6522 0.5428 0.6119 0.2139 0.4972 0.3050 0.6828 0.2394 0.4970 0.2403 0.6916 0.7086 0.6267 0.7464 0.5374 0.1539 0.5779 0.6166 0.6568 0.4480 0.4904 0.3502 0.0148 0.2299 0.6404 0.3422 0.4739 0.3774 0.2885 0.1793 0.1448 0.3807 0.1389 0.7329 0.7478 0.7360 0.5235 0.6606 0.4338 0.7499 0.1497 0.1647 0.2436 0.7500 0.6200 0.7500 0.3693 0.6861 0.7490 0.1674 0.0658 0.5193 0.1959 0.2156 0.4034 0.4278 0.4408 0.3617 0.4111 0.1097 0.7500 0.5236 0.2414 0.7358 0.3680 0.6128 0.3218 0.3183 0.1217 0.3738 0.3997 0.6908 0.2291 0.2157 0.6584 0.1864 0.7500 0.2279 0.6606 0.6735 0.7438 0.7300 0.7227 0.7500 0.6444 0.4027 0.4993 0.1850 0.5260 0.5256 0.7499 0.7499 0.4285 0.5986 0.6762 0.2528 0.7160 0.3659 0.2815 0.4674 0.2887 0.6698 0.3589 0.6904 0.2995 0.1711 0.2444 0.1841 0.7483 0.0072 0.1403 0.2139 0.4592 0.7500 0.6929 0.6134 0.7499 0.5620 0.3435 0.4572 0.3210 0.3772 0.2815 0.7492 0.1620 0.1517 0.2222
0.8456 0.8552 0.8389 0.8535 0.8533 0.8569 0.8436 0.8233 0.8571 0.8524 0.7973 0.8159 0.7735 0.2808 0.7895 0.7037 0.7592 0.3525 0.6641 0.4674 0.8115 0.3864 0.6640 0.3875 0.8177 0.8294 0.7705 0.8548 0.6991 0.2667 0.7325 0.7628 0.7928 0.6188 0.6581 0.5187 0.0291 0.3739 0.7808 0.5099 0.6430 0.5480 0.4478 0.3041 0.2530 0.5515 0.2439 0.8458 0.8557 0.8480 0.6873 0.7956 0.6051 0.8571 0.2605 0.2829 0.3918 0.8571 0.7654 0.8571 0.5394 0.8138 0.8565 0.2869 0.1234 0.6836 0.3277 0.3548 0.5749 0.5992 0.6119 0.5313 0.5826 0.1977 0.8571 0.6873 0.3889 0.8478 0.5380 0.7599 0.4869 0.4829 0.2169 0.5442 0.5711 0.8172 0.3728 0.3549 0.7940 0.3142 0.8571 0.3712 0.7956 0.8049 0.8531 0.8439 0.8390 0.8571 0.7838 0.5742 0.6661 0.3123 0.6893 0.6890 0.8571 0.8571 0.5999 0.7489 0.8068 0.4036 0.8345 0.5357 0.4393 0.6370 0.4481 0.8023 0.5283 0.8168 0.4609 0.2922 0.3928 0.3110 0.8560 0.0143 0.2460 0.3524 0.6294 0.8571 0.8186 0.7604 0.8571 0.7196 0.5113 0.6275 0.4860 0.5477 0.4393 0.8566 0.2788 0.2634 0.3637
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 6 6 6 7 6 7 8 6 6 6 6 7 1 6 7 6 6 7 6 6 6 8 6 6 6 6 8 35 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 14.00307 12.00000 14.00307 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 78.91834 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
5884.0212 45230.0573 50427.5802
0.99969 0.02488 0.00078 -0.02487 0.99966 -0.00772 -0.00098 0.00770 0.99997
1
0.01472 0.00191 0.00172
0.30672 0.03990 0.03579
12.89 26.93 31.41 44.13 57.03 67.73 91.86 107.57 123.13 138.24 171.32 205.02 217.16 262.70 283.06 298.11 347.80 364.65 397.35 406.76 427.43 430.50 450.68 480.53 502.40 540.46 554.50 614.16 624.20 641.40 673.89 687.89 721.46 735.33 766.29 836.36 849.45 887.74 960.49 989.09 1003.36 1025.99 1030.81 1084.41 1106.82 1161.30 1165.50 1194.53 1218.50 1276.14 1319.20 1336.94 1358.51 1363.42 1364.11 1441.45 1468.60 1477.53 1499.90 1512.09 1517.26 1535.95 1539.81 1552.30 1588.01 1604.88 1611.16 1616.28 1639.69 1661.60 1665.82 1692.04 1711.57 1739.27 1757.08 1778.84 1794.05 1804.61 1852.93 1861.37 1878.59 1939.47 1954.58 1955.27 1965.17 1990.00 2049.82 2061.47 2076.59 2085.46 2117.40 2123.51 2145.05 2168.06 2185.48 2220.94 2232.06 2239.75 2246.35 2256.17 2273.94 2278.80 2290.29 2347.71 2348.16 2351.52 2352.30 2362.18 2369.37 2370.22 2378.17 2379.17 2392.26 2487.36 2520.32 2578.24 2594.82 2630.25 2708.00 2795.85 4598.35 4615.15 4628.83 4633.35 4639.44 4665.98 4691.55 4728.48 4733.53 4741.16 4741.27 4752.88 4826.37 4849.40 4876.91 4909.66 4957.22 4984.89 4994.85 5000.54 5578.59
0.424054
0.448013
0.448957
0.364365
-3797.779637
-3797.755678
-3797.754734
-3797.839326
2.837230D-04
MUNgauss
RevisionA2.1
retrievium
20-May-2021
DUDE CC(C)c1nc(no1)c2ccc([nH+]c2)N3CCN(CC3)C(=O)c4ccc(o4)Br C44095298
RHF
6-31G(d)
(6D,10F)
C1
446.082776
|X|Y|Z|
54.178837 18.679415 152.742451
53.668266
23
|36.858105|
|12.404157|36.858105|
|7.484240|12.404210|36.858105|
|7.642349|12.715511|7.642281|36.858105|
|5.393488|7.591629|5.393214|14.818586|53.358707|
|4.347509|5.381444|4.347356|9.256937|19.019554|36.858105|
|4.518858|5.312206|4.518755|8.797280|11.657929|14.916138|53.358707|
|6.351065|7.853832|6.351320|14.495005|11.999991|9.194678|18.977798|73.516695|
|3.306686|3.875612|3.306425|5.480722|10.433163|12.977340|10.763576|9.676770|36.858105|
|2.798272|3.139924|2.799018|4.163456|6.855843|7.527069|8.889655|7.982442|13.396876|36.858105|
|2.361106|2.607855|2.361859|3.266313|5.280528|5.046789|6.070352|6.061205|7.853368|14.048568|36.858105|
|2.244056|2.492079|2.245128|3.044014|5.042557|4.443794|5.084771|5.376984|6.757491|7.905130|13.390003|36.858105|
|2.488672|2.821572|2.487846|3.478693|6.094425|5.144524|5.446185|5.864645|8.094272|7.084619|8.123078|14.126305|53.358707|
|2.343177|2.641921|2.336958|3.147854|5.422763|4.273927|4.631249|5.203769|5.907330|5.172532|5.847904|9.399027|26.038806|0.500000|
|3.016687|3.534245|3.015681|4.624011|8.967316|7.788860|7.173378|7.529317|14.156598|8.069387|6.937996|7.927785|19.022762|0.262926|36.858105|
|1.946218|2.131890|1.949448|2.515911|4.034211|3.391232|4.036865|4.437688|4.589841|5.214162|7.803403|14.280121|11.172793|0.210766|5.291363|53.358707|
|1.828549|2.003784|1.836894|2.307509|3.691103|2.953139|3.495105|3.976150|3.784619|3.922069|5.026093|7.764068|9.309631|0.220124|4.601655|17.627293|36.858105|
|1.608366|1.752221|1.636295|1.982317|3.088636|2.449484|2.985164|3.447637|3.000251|3.164842|3.937422|5.181907|6.177984|0.137582|3.443335|10.503385|12.499030|36.858105|
|1.513183|1.625752|1.520318|1.834841|2.815163|2.255562|2.807668|3.238217|2.729072|2.975420|3.739528|4.571774|5.194050|0.110184|3.005294|9.149290|7.820871|13.164703|53.358707|
|1.569747|1.685156|1.578665|1.925390|2.942993|2.418521|3.048828|3.456529|2.965468|3.403092|4.487167|5.176391|5.401932|0.107869|3.148768|10.441075|6.612139|7.966285|17.905250|36.858105|
|1.770082|1.901516|1.753312|2.215561|3.441381|2.896940|3.601346|3.989121|3.713198|4.426889|6.432799|7.767019|7.098112|0.135108|3.943921|17.525670|7.696588|6.665071|10.717694|12.536162|36.858105|
|1.365766|1.455759|1.370166|1.620251|2.450834|1.939416|2.445572|2.862018|2.279677|2.457430|2.963763|3.438448|4.085091|0.086826|2.473711|6.163422|5.149302|7.607730|18.794326|7.897049|5.259404|36.858105|
|1.296971|1.375086|1.301081|1.526685|2.285298|1.816153|2.321975|2.721063|2.110840|2.304923|2.755885|3.061614|3.611917|0.075137|2.239786|5.269885|4.067227|5.391101|11.521781|7.109712|4.712780|15.920564|73.516695|
|1.304523|1.387773|1.305998|1.526954|2.305338|1.791847|2.250886|2.669909|2.074042|2.174994|2.544779|2.966384|3.704069|0.080773|2.278747|5.071691|4.507695|6.283588|10.510412|5.044045|3.972393|12.896012|14.676574|36.858105|
|1.195933|1.266295|1.198612|1.379951|2.062563|1.591627|2.016702|2.415135|1.810222|1.888468|2.163595|2.454990|3.112668|0.067374|1.966479|4.022243|3.432532|4.424037|6.937740|3.850482|3.139623|7.502767|11.677695|14.183817|36.858105|
|1.176713|1.244308|1.175627|1.345851|2.011472|1.533433|1.934829|2.336613|1.729267|1.772804|1.999558|2.280137|2.971584|0.065244|1.895324|3.651177|3.178413|3.882246|5.578964|3.176912|2.747274|5.183246|7.970111|8.568061|13.298093|36.858105|
|1.268281|1.345719|1.262678|1.460230|2.202606|1.673682|2.089118|2.517594|1.903138|1.932040|2.187346|2.555753|3.374809|0.075628|2.122498|4.131170|3.774555|4.559819|6.198354|3.396085|3.017688|5.335915|7.613647|8.823323|8.657201|14.215287|36.858105|
|1.361753|1.451426|1.356643|1.593473|2.424502|1.863931|2.313519|2.755444|2.160281|2.217103|2.569996|3.076965|3.974378|0.089403|2.426869|5.207738|4.988843|6.511533|8.996532|4.417495|3.820597|7.690546|9.611394|14.002147|8.600224|8.596794|14.291580|73.516695|
|1.288586|1.365496|1.275195|1.467207|2.215813|1.654048|2.050650|2.498867|1.858119|1.840826|2.038164|2.384577|3.276601|0.074789|2.097895|3.705378|3.386513|3.702769|4.717216|2.755330|2.601996|3.666303|5.478522|4.874526|4.717788|6.534038|10.286003|12.425971|2539.412838|
|17.581083|8.843102|6.859265|5.560648|5.856271|3.534905|4.927946|8.454650|2.818943|2.426294|2.093350|2.013113|3.027473|0.058954|2.637022|2.412269|1.684612|1.495846|1.916346|1.451181|1.619101|1.279806|2.163031|1.229894|1.133560|1.119860|1.204461|2.284362|41.847382|0.500000|
|17.564092|8.735812|5.452526|6.960046|7.431282|4.418926|6.039513|10.249025|3.427014|2.880031|2.439967|2.334891|3.547365|0.068366|3.163238|2.751086|1.900821|1.657696|2.126837|1.617055|1.837848|1.408137|2.371381|1.346796|1.231808|1.214236|1.313527|2.509743|45.574439|0.301751|0.500000|
|17.577441|8.754083|6.800512|6.839818|6.548356|4.212866|6.408686|12.141616|3.206236|2.796652|2.345240|2.186033|3.232954|0.061540|2.845930|2.583716|1.764455|1.561270|2.015867|1.549548|1.746551|1.339053|2.273594|1.272290|1.167985|1.143902|1.227093|2.345135|42.104474|0.301432|0.300755|0.500000|
|8.857861|17.590252|8.857861|9.213747|10.028735|4.936396|6.134795|10.363479|3.759181|2.996936|2.542278|2.496306|3.930793|0.076530|3.615486|2.923811|2.053340|1.788877|2.238970|1.685821|1.896401|1.473309|2.459638|1.414929|1.290706|1.275918|1.386677|2.651411|48.337969|0.213275|0.212220|0.173074|0.500000|
|6.800526|8.754100|17.577442|6.839751|6.548070|4.212714|6.408507|12.142159|3.205986|2.797414|2.345997|2.187050|3.231944|0.061389|2.845056|2.587914|1.772173|1.587559|2.025242|1.558382|1.729958|1.343322|2.280807|1.273699|1.170554|1.142874|1.221865|2.336627|41.688631|0.168895|0.139179|0.201861|0.173074|0.500000|
|5.452521|8.735831|17.564046|6.959967|7.430629|4.418659|6.039298|10.249622|3.426524|2.881419|2.441385|2.336949|3.545171|0.068027|3.161267|2.759488|1.916874|1.710886|2.145149|1.633770|1.806265|1.416378|2.384967|1.349564|1.236805|1.212208|1.302989|2.492592|44.714593|0.140385|0.122111|0.139179|0.212220|0.300755|0.500000|
|6.859265|8.843132|17.581081|5.560624|5.856084|3.534823|4.927873|8.454840|2.818781|2.426785|2.093880|2.013895|3.026665|0.058825|2.636346|2.415619|1.691193|1.518448|1.924235|1.458285|1.606119|1.283457|2.169117|1.231142|1.135862|1.118916|1.199615|2.276655|41.447121|0.205978|0.140386|0.168895|0.213276|0.301433|0.301750|0.500000|
|2.825277|3.119380|2.828308|4.125444|6.326582|6.952759|9.890970|8.498836|8.836215|17.739398|9.053950|5.629673|6.890978|0.111247|5.721011|5.714759|3.268451|2.757745|3.613733|3.061330|3.835969|2.243700|3.807875|1.987532|1.747949|1.637916|1.764486|3.561999|57.086376|0.067769|0.079850|0.080460|0.080555|0.080554|0.080001|0.067823|0.500000|
|2.145791|2.332740|2.148674|2.854095|4.433979|4.115373|5.273282|5.397277|5.620857|9.073214|17.845633|8.799187|7.806377|0.127161|4.996296|9.527791|4.553839|3.823437|5.219299|4.916872|7.043235|3.064821|5.191752|2.568014|2.190967|1.994247|2.150471|4.495805|66.945327|0.053286|0.061289|0.059879|0.062758|0.059962|0.061437|0.053344|0.219344|0.500000|
|3.211202|3.843712|3.208112|4.891602|9.938170|7.036452|6.515147|7.404551|8.940584|5.659132|4.994941|5.727505|12.518423|0.232449|17.780585|5.905539|4.102156|3.151028|3.711266|2.773899|3.339371|2.290663|3.678975|2.158584|1.881119|1.839855|2.069386|4.142981|71.220704|0.078457|0.094038|0.081798|0.114039|0.081730|0.093867|0.078399|0.124150|0.108412|0.500000|
|1.812392|1.961713|1.780324|2.240154|3.571134|2.816811|3.338524|3.838117|3.538666|3.597378|4.444975|6.447336|8.318372|0.204427|4.308867|12.311727|17.541989|8.847494|9.417564|5.653925|6.709196|4.958499|6.955244|4.581814|3.488740|3.313235|4.056932|9.578359|127.199972|0.046489|0.052852|0.048420|0.056094|0.047603|0.051137|0.045778|0.084266|0.112331|0.109680|0.500000|
|1.913503|2.129121|1.953082|2.450456|3.977060|3.123097|3.623238|4.152146|3.994359|3.927181|4.768960|7.288944|10.438712|0.277936|5.116537|12.355537|17.618387|9.043603|7.764440|5.012120|5.623255|4.195791|6.084656|3.881820|3.084984|2.940223|3.490725|7.781971|111.876531|0.049016|0.055030|0.050870|0.061221|0.051861|0.057162|0.049882|0.090090|0.115637|0.130515|0.299177|0.500000|
|1.540553|1.674303|1.565207|1.869322|2.899787|2.253367|2.746000|3.220832|2.696664|2.766596|3.302683|4.225517|5.403805|0.124494|3.118636|7.674192|8.985318|17.730337|12.379952|5.712362|4.963468|7.109846|8.833324|7.228497|4.998361|4.587882|5.753070|15.453435|155.566648|0.040059|0.044141|0.041347|0.047835|0.041983|0.045447|0.040624|0.067640|0.088255|0.081799|0.219173|0.217669|0.500000|
|1.602651|1.760621|1.662517|1.993750|3.095551|2.463493|3.016961|3.480830|3.004047|3.187295|3.934810|4.997649|5.947063|0.128322|3.396544|9.403835|8.900643|17.504792|12.429970|7.251455|5.897470|6.283307|8.731856|5.194873|3.954118|3.462604|3.886945|9.054920|109.869848|0.041421|0.045499|0.043316|0.049780|0.044892|0.048661|0.042763|0.077659|0.106981|0.086085|0.174146|0.223146|0.301887|0.500000|
|1.481410|1.574062|1.478129|1.785802|2.694218|2.208080|2.828057|3.228194|2.648166|3.046262|3.883921|4.212885|4.547171|0.090497|2.753861|7.627006|4.946443|5.735293|12.510692|17.682689|8.947247|7.628116|14.673987|4.835719|3.845406|3.110339|3.221783|7.224870|88.194577|0.038146|0.042419|0.040817|0.043571|0.040725|0.042249|0.038072|0.078166|0.121233|0.068087|0.126961|0.109651|0.127563|0.146617|0.500000|
|1.560423|1.687625|1.597719|1.929566|2.937663|2.422480|3.072920|3.479811|2.954692|3.415268|4.457120|4.949848|5.206741|0.102458|3.094759|9.246058|5.797919|7.166022|12.356342|17.514575|8.842703|6.452337|10.923303|4.424321|3.530628|2.932863|3.083589|6.891540|86.306671|0.040093|0.044294|0.042891|0.046756|0.043925|0.046231|0.040917|0.086195|0.137652|0.075652|0.131492|0.132493|0.145433|0.218143|0.302105|0.500000|
|1.810811|1.940621|1.796406|2.281112|3.507953|3.025262|3.843110|4.189343|3.874270|4.946134|7.500888|7.336737|6.602188|0.119647|3.883057|12.310162|5.619685|5.009442|7.755561|8.953819|17.717275|4.272298|7.246917|3.319377|2.734327|2.406602|2.590359|5.618460|77.210062|0.045790|0.052029|0.050103|0.053136|0.049696|0.051282|0.045484|0.122449|0.272709|0.089897|0.138561|0.126877|0.109569|0.133125|0.214177|0.217863|0.500000|
|1.749286|1.855726|1.695979|2.147002|3.321992|2.762919|3.440157|3.849916|3.475687|4.024536|5.470222|6.479564|6.520715|0.127703|3.711989|12.424220|6.813883|5.758878|9.577312|8.887521|17.561738|5.101435|8.134950|3.994056|3.165307|2.801611|3.102712|6.964438|91.685858|0.044516|0.050913|0.047876|0.051539|0.046417|0.048123|0.043359|0.098031|0.160426|0.088995|0.193714|0.139481|0.128465|0.134159|0.218842|0.173829|0.302137|0.500000|
|1.141249|1.205517|1.146495|1.311634|1.947731|1.507385|1.925692|2.308499|1.704041|1.790883|2.043826|2.273248|2.861038|0.061085|1.827537|3.678418|3.024079|3.824107|6.121510|3.629569|2.926407|6.570609|12.003180|8.857006|17.815798|8.457241|5.877492|10.437150|128.293553|0.030077|0.032567|0.031078|0.033998|0.031219|0.032837|0.030202|0.046477|0.058144|0.048420|0.084088|0.075940|0.114330|0.098588|0.104020|0.094396|0.072369|0.081334|0.500000|
|1.110064|1.170178|1.109088|1.257334|1.867955|1.416568|1.795329|2.182172|1.580749|1.613657|1.798368|2.024385|2.660394|0.058149|1.722397|3.175762|2.708942|3.202424|4.544098|2.706386|2.381961|4.066584|6.582419|5.839010|8.445833|17.826813|8.831177|10.440546|199.678949|0.029457|0.031780|0.029983|0.033345|0.029957|0.031729|0.029433|0.041680|0.049825|0.046727|0.078208|0.070801|0.102639|0.081381|0.074274|0.070417|0.058969|0.067460|0.192495|0.500000|
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