Version2.0
2020-01-31T01:34:52Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
11-Sep-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCCOc1ccc(cc1NC(=O)CN2C(=O)[C@](NC2=O)(C)c3cccc4c3cccc4)C(F)(F)F C08987973
RHF
6-31G(d)
(6D,7F)
CCCOc1ccc(cc1NC(=O)CN2C(=O)[C@](NC2=O)(C)c3cccc4c3cccc4)C(F)(F)F
C01[X(C26H24F3N3O4)]
174
C1
588
CCCOc1ccc(cc1NC(=O)CN1C(=O)N[C@@](C1=O)(C)c1cccc2c1cccc2)C(F)(F)F
CCCOc1ccc(cc1NC(=O)CN1C(=O)N[C@@](C1=O)(C)c1cccc2c1cccc2)C(F)(F)F
CCCOc1ccc(cc1NC(=O)CN2C(=O)N[C@](C)(C2=O)c3cccc4ccccc34)C(F)(F)F
InChIKey=UERLVDWDJWDEIW-VWLOTQADSA-N
InChI=1S/C26H24F3N3O4/c1-3-13-36-21-12-11-17(26(27,28)29)14-20(21)30-22(33)15-32-23(34)25(2,31-24(32)35)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,14H,3,13,15H2,1-2H3,(H,30,33)(H,31,35)/t25-/m0/s1
InChI=1/C26H24F3N3O4/c1-3-13-36-21-12-11-17(26(27,28)29)14-20(21)30-22(33)15-32-23(34)25(2,31-24(32)35)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,14H,3,13,15H2,1-2H3,(H,30,33)(H,31,35)/t25-/m0/s1/f/h30-31H
CCCOc1ccc(cc1NC(=O)CN2C(=O)[C@](NC2=O)(C)c3cccc4c3cccc4)C(F)(F)F
C01[X(C26H24F3N3O4)]
174
C01
588
CCCOc1ccc(cc1NC(=O)CN1C(=O)N[C@@](C1=O)(C)c1cccc2c1cccc2)C(F)(F)F
CCCOc1ccc(cc1NC(=O)CN1C(=O)N[C@@](C1=O)(C)C1=CC=C[C@@H]2[C@H]1C=CC=C2)C(F)(F)F
CCCOc1ccc(cc1NC(=O)CN2C(=O)N[C@](C)(C2=O)C3=CC=C[C@H]4C=CC=C[C@@H]34)C(F)(F)F
InChIKey=GLDYYQRRHNMDFQ-UAYVVIHISA-N
InChI=1S/C26H26F3N3O4/c1-3-13-36-21-12-11-17(26(27,28)29)14-20(21)30-22(33)15-32-23(34)25(2,31-24(32)35)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,14,16,18H,3,13,15H2,1-2H3,(H,30,33)(H,31,35)/t16-,18-,25+/m1/s1
InChI=1/C26H26F3N3O4/c1-3-13-36-21-12-11-17(26(27,28)29)14-20(21)30-22(33)15-32-23(34)25(2,31-24(32)35)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,14,16,18H,3,13,15H2,1-2H3,(H,30,33)(H,31,35)/t16-,18-,25+/m1/s1/f/h30-31H
3788.2137182516
-1759.7679477
1-A
23611.6319
130
458
588
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10.47575
-1.6010 -5.2945 1.5864
5.7542
|XX|YY|ZZ|XY|XZ|YZ|
-156.0332 -203.0263 -213.1576 19.0023 -12.3795 -3.3952
|XX|YY|ZZ|XY|XZ|YZ|
34.7058 -12.2873 -22.4185 19.0023 -12.3795 -3.3952
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-259.1496 -21.9030 25.3760 16.3583 -41.3254 32.5769 19.8453 40.5330 8.1052 18.5053
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-20787.9813 -6596.8157 -2437.9268 273.4930 -152.3424 117.2601 -49.6584 44.8006 -117.2289 -4419.3005 -3818.2191 -1548.3059 78.7084 -80.1168 -47.8705
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5.7806 8.4832 10.6075 16.6953 30.8649 37.6207 50.9666 54.1080 67.3399 73.6481 81.9654 87.7337 101.7754 119.2677 125.1070 155.7245 157.5995 182.0400 183.9618 219.9702 222.4144 229.1234 235.4089 247.1009 255.5528 256.6165 267.8670 290.8801 299.3658 317.2426 323.0245 357.7792 373.2789 391.2483 429.0074 446.5043 456.0060 459.4435 466.1588 473.0427 488.4360 507.3225 521.7756 534.5330 566.5363 574.8818 578.8686 584.5054 593.0821 629.0417 629.7853 646.6828 647.4742 687.0625 697.0855 699.0144 711.5459 735.4511 757.7425 781.0870 804.1062 816.2244 817.3721 831.7538 832.4933 833.1652 849.0094 856.1762 873.0920 885.2877 891.7781 908.4710 931.4033 944.9376 979.9072 987.4123 989.7020 1004.2577 1026.7572 1047.7259 1051.7613 1052.4738 1066.8156 1072.2156 1083.3613 1095.8794 1107.2985 1114.7449 1118.4909 1126.1619 1132.7497 1160.1267 1162.6694 1193.1055 1204.1084 1232.1323 1240.4005 1246.4764 1257.1638 1277.1032 1285.2045 1296.8701 1303.2038 1303.5116 1311.1014 1312.3622 1320.1761 1349.1188 1349.8794 1370.0180 1374.6676 1396.0129 1399.4183 1407.6174 1427.2778 1450.7070 1455.1378 1461.7009 1469.6944 1471.4379 1491.6313 1508.8994 1548.4674 1549.7495 1559.3609 1568.5236 1571.4900 1583.9828 1598.7004 1600.4570 1603.2661 1619.7316 1628.9911 1638.5092 1639.0992 1644.5418 1644.9829 1655.5228 1662.5281 1682.5168 1686.0609 1749.5958 1784.4923 1801.1294 1809.5536 1827.2620 1837.4086 1981.0257 1987.6498 2045.7382 3202.4918 3211.3498 3217.7656 3224.0335 3240.2777 3255.0415 3268.2490 3276.6191 3278.2527 3283.2214 3322.7177 3354.4439 3361.0244 3366.4198 3368.4221 3382.8544 3385.7591 3405.1622 3421.1795 3430.5103 3456.7921 3473.4758 3876.7062 3896.7307
5.6000 7.5740 15.8854 5.9936 5.2638 7.3918 5.7043 4.1454 5.0739 5.0433 6.5737 2.2315 6.4536 3.9185 8.2225 2.9942 5.0685 4.8425 4.6692 3.7814 3.5776 1.6947 2.0330 5.9299 1.2077 6.3087 5.0106 2.8172 5.7237 4.7596 4.8229 4.9894 5.2025 5.8646 6.2478 6.6014 2.9627 6.9278 3.0865 1.6564 4.5404 3.0789 3.4709 4.2617 6.8388 3.9741 4.0983 5.7422 2.8498 4.9430 4.1374 7.9654 1.6742 7.1945 5.3012 8.4865 5.0043 4.7611 3.9673 5.6753 5.5032 4.5826 9.3642 1.0836 1.4425 6.4029 5.9440 5.4913 2.2932 4.9355 6.0009 1.6331 1.4296 3.7059 1.5768 1.6819 1.1336 5.0452 2.9421 1.5627 5.1540 1.4445 2.4274 1.3470 3.1177 1.5179 1.9182 3.0003 1.3848 2.4058 1.4707 2.2518 3.9836 2.9376 3.1812 2.1708 2.1358 2.4144 1.8686 1.9019 6.5018 1.3672 2.3062 1.5941 1.9978 1.6681 2.1948 2.3229 12.7665 1.9784 6.5267 1.2025 2.0644 2.5000 1.6167 1.0749 2.9398 2.8447 5.1738 1.3620 3.9111 2.0013 1.6990 1.6080 1.7020 1.2391 1.3677 1.4786 1.9939 2.0167 2.1416 3.8386 2.0012 1.0913 1.0512 1.0713 1.0405 1.1093 1.9001 1.2758 2.9144 2.2775 6.6474 5.8227 4.6969 5.1670 5.5129 9.7281 11.2567 11.0357 1.0399 1.0542 1.0609 1.0426 1.1057 1.1072 1.0603 1.1072 1.1014 1.1045 1.1070 1.0877 1.0883 1.0948 1.0933 1.0975 1.0979 1.0897 1.0954 1.0916 1.0930 1.0918 1.0778 1.0802
0.0001 0.0003 0.0011 0.0010 0.0030 0.0062 0.0087 0.0072 0.0136 0.0161 0.0260 0.0101 0.0394 0.0328 0.0758 0.0428 0.0742 0.0945 0.0931 0.1078 0.1043 0.0524 0.0664 0.2133 0.0465 0.2448 0.2118 0.1404 0.3022 0.2822 0.2965 0.3763 0.4271 0.5289 0.6775 0.7754 0.3630 0.8616 0.3952 0.2184 0.6382 0.4669 0.5567 0.7174 1.2933 0.7738 0.8091 1.1559 0.5906 1.1524 0.9669 1.9626 0.4135 2.0010 1.5177 2.4432 1.4928 1.5173 1.3421 2.0400 2.0965 1.7988 3.6860 0.4417 0.5890 2.6187 2.5244 2.3716 1.0299 2.2790 2.8118 0.7941 0.7307 1.9496 0.8921 0.9662 0.6542 2.9979 1.8274 1.0107 3.3591 0.9428 1.6277 0.9124 2.1559 1.0741 1.3857 2.1967 1.0207 1.7977 1.1118 1.7856 3.1727 2.4638 2.7175 1.9417 1.9361 2.2102 1.7400 1.8276 6.3275 1.3548 2.3077 1.5959 2.0233 1.6927 2.2538 2.4911 13.7060 2.1878 7.2667 1.3808 2.3820 2.9186 1.9405 1.3329 3.6676 3.5811 6.5843 1.7374 5.1271 2.6847 2.4002 2.2755 2.4384 1.7961 1.9900 2.1858 3.0025 3.0436 3.2434 5.9335 3.1288 1.7262 1.6640 1.7070 1.6588 1.7912 3.0944 2.1278 4.8815 4.1076 12.4718 11.1292 9.0616 10.1647 10.9658 22.4937 26.2024 27.2114 6.2839 6.4056 6.4722 6.3850 6.8401 6.9119 6.6726 7.0035 6.9741 7.0146 7.2007 7.2109 7.2431 7.3103 7.3085 7.3998 7.4155 7.4444 7.5540 7.5689 7.6954 7.7608 9.5434 9.6637
0.5843 0.2242 0.0085 0.8253 0.0061 0.3669 0.5853 0.3591 0.9315 1.4546 1.0097 1.5122 1.6770 0.2977 0.6057 3.4873 0.7855 2.3138 0.4092 1.1305 1.1748 0.2553 1.8154 4.1237 0.1149 8.0463 3.2641 3.4364 5.8307 7.1891 2.7197 1.6835 15.6471 2.3446 4.9033 32.9263 47.2503 0.5973 35.5422 65.6361 40.3581 4.4910 6.0827 0.7352 1.3230 17.9512 14.8133 0.8797 25.5536 18.5461 5.1957 0.1798 16.8029 11.8035 7.3661 38.9216 11.3413 10.1103 3.7817 13.0618 2.4367 1.7190 6.5848 1.9784 6.6119 11.6016 11.3518 0.0527 61.7772 38.9252 9.1692 67.0072 40.1908 3.4311 1.8467 6.3990 5.7201 23.0109 24.2884 1.2039 17.0427 22.9898 0.1880 0.7929 3.4556 1.8142 5.2478 8.5132 3.6621 34.9897 11.8149 7.0154 90.0295 8.9608 5.2593 4.6749 10.8485 16.5441 16.1811 7.7613 279.9347 10.6139 17.0144 2.1969 78.9543 58.1515 12.1754 418.4266 289.5428 11.6769 146.7329 0.4401 7.1082 40.8351 72.3761 0.4086 88.1312 11.5754 1.6581 8.5495 426.8219 61.5400 21.0763 1.1206 4.6423 6.9725 36.5898 89.1290 358.1205 7.7617 155.4651 550.0445 2.0121 6.8824 0.6985 2.6681 6.3393 5.8812 122.5396 18.7773 19.1803 466.8140 0.0675 98.7129 9.5434 46.9750 1.3908 250.4956 1071.5561 167.4658 16.2249 40.1346 35.8216 27.2922 2.5973 0.3322 18.4828 109.7142 41.9159 30.2394 0.3251 0.4603 2.3469 12.0854 21.9630 39.0236 39.2430 6.8724 6.8228 6.2001 8.2217 2.7307 86.4551 78.2738
2.0872 3.8981 0.1506 5.5746 1.0261 1.5463 2.1431 1.5396 0.7260 4.9501 1.8742 0.1947 3.1415 1.4590 0.2356 0.4902 1.4956 0.4747 0.3479 1.6896 1.0879 0.6884 1.3130 1.4279 0.1513 4.1528 1.7568 1.0469 0.7303 1.7655 0.1458 1.2735 0.5103 2.4643 0.2500 1.2133 2.1017 1.2902 3.2764 1.8526 1.5499 0.5662 0.4127 1.8376 6.7290 4.8679 1.9334 1.8205 0.5335 1.6764 4.8202 0.6085 0.5472 2.2262 5.2816 3.2193 6.5506 0.0364 5.0173 3.0215 8.3271 1.0505 2.0471 0.0930 4.0496 10.6109 5.6222 0.2932 3.8594 1.6868 7.0248 0.9058 1.2420 12.8725 1.2036 12.4355 0.0594 7.0264 1.9508 0.6209 12.8901 1.8997 2.8441 1.1449 5.7374 2.5474 2.4641 9.0855 2.1310 3.2091 1.3912 7.4282 8.4704 1.2753 6.9855 4.8003 7.7573 18.9508 3.4727 2.7532 18.0151 9.2821 2.9910 2.3569 1.2739 2.1894 1.9373 3.9589 2.0749 1.3079 2.6372 0.2448 13.0923 7.7872 2.3946 22.4820 27.6596 32.4679 215.6581 1.0049 28.0273 13.9359 8.3063 1.3854 2.7586 1.5557 3.7101 0.6138 6.8639 19.4547 12.1512 5.0299 9.9089 16.9364 27.7654 9.5786 20.4396 0.3293 11.4646 13.8572 7.2366 2.2576 110.8521 76.7105 5.2705 44.4077 4.6297 16.3848 1.2930 15.3213 35.3230 155.1175 48.4060 116.7137 133.6643 6.7457 64.2173 11.6611 101.5447 80.1185 35.1110 30.5941 38.5369 84.6875 102.8201 91.8476 328.4097 48.9337 137.5007 88.6085 40.2526 64.0976 47.3014 67.4343
0.7475 0.7431 0.7380 0.7487 0.7478 0.7400 0.7485 0.7497 0.7489 0.7487 0.7494 0.7437 0.7386 0.7495 0.2155 0.7166 0.5803 0.5594 0.4957 0.6813 0.6017 0.4370 0.6594 0.5233 0.6983 0.1529 0.4519 0.6648 0.4292 0.7494 0.7477 0.3662 0.5420 0.3678 0.6283 0.5417 0.3416 0.7488 0.7498 0.7432 0.5814 0.7482 0.6874 0.6494 0.5740 0.3060 0.4853 0.0919 0.5651 0.5135 0.2434 0.1637 0.3828 0.4133 0.0808 0.7112 0.0287 0.6842 0.6912 0.7187 0.1811 0.7406 0.7353 0.7458 0.4768 0.0363 0.4166 0.6917 0.7172 0.1877 0.2370 0.2624 0.7478 0.0834 0.7198 0.2437 0.7299 0.2358 0.6674 0.7360 0.1447 0.5975 0.4963 0.7496 0.3657 0.3980 0.2913 0.4365 0.6905 0.6673 0.6875 0.3781 0.7475 0.1757 0.7232 0.3312 0.7149 0.2033 0.7424 0.7072 0.3114 0.5075 0.6981 0.7498 0.6468 0.3227 0.1751 0.7047 0.7500 0.0877 0.7464 0.7482 0.3885 0.3729 0.4717 0.7495 0.1457 0.2529 0.1372 0.5802 0.1123 0.6216 0.1392 0.7266 0.6559 0.7412 0.6678 0.7479 0.5052 0.4659 0.2520 0.4211 0.3695 0.7488 0.7169 0.7295 0.7499 0.7131 0.1758 0.6094 0.2350 0.5446 0.4691 0.5109 0.2048 0.7260 0.2560 0.3978 0.2154 0.3016 0.0160 0.0386 0.1834 0.0625 0.7499 0.7500 0.0458 0.7485 0.5819 0.7445 0.7317 0.6772 0.6587 0.6753 0.7434 0.5586 0.1168 0.7489 0.1643 0.2121 0.2639 0.1648 0.1238 0.2483
0.8555 0.8526 0.8493 0.8563 0.8557 0.8505 0.8562 0.8569 0.8564 0.8563 0.8568 0.8530 0.8496 0.8568 0.3546 0.8349 0.7344 0.7174 0.6628 0.8104 0.7513 0.6082 0.7947 0.6871 0.8224 0.2653 0.6225 0.7986 0.6006 0.8568 0.8557 0.5361 0.7030 0.5378 0.7718 0.7027 0.5092 0.8564 0.8570 0.8527 0.7353 0.8560 0.8148 0.7874 0.7293 0.4686 0.6535 0.1684 0.7221 0.6786 0.3915 0.2813 0.5536 0.5849 0.1496 0.8312 0.0557 0.8125 0.8174 0.8363 0.3067 0.8510 0.8475 0.8544 0.6457 0.0701 0.5882 0.8178 0.8353 0.3160 0.3832 0.4158 0.8557 0.1539 0.8371 0.3919 0.8439 0.3817 0.8006 0.8479 0.2528 0.7480 0.6634 0.8569 0.5356 0.5694 0.4512 0.6077 0.8169 0.8004 0.8148 0.5488 0.8555 0.2988 0.8394 0.4975 0.8337 0.3379 0.8521 0.8285 0.4749 0.6733 0.8222 0.8570 0.7855 0.4880 0.2980 0.8268 0.8571 0.1613 0.8548 0.8560 0.5596 0.5432 0.6410 0.8568 0.2543 0.4037 0.2413 0.7343 0.2019 0.7666 0.2443 0.8416 0.7922 0.8514 0.8008 0.8558 0.6713 0.6357 0.4026 0.5926 0.5396 0.8564 0.8351 0.8436 0.8571 0.8325 0.2990 0.7573 0.3805 0.7052 0.6386 0.6763 0.3400 0.8412 0.4077 0.5692 0.3545 0.4635 0.0315 0.0743 0.3100 0.1177 0.8571 0.8571 0.0876 0.8562 0.7357 0.8535 0.8451 0.8075 0.7943 0.8062 0.8528 0.7168 0.2091 0.8564 0.2822 0.3500 0.4177 0.2830 0.2204 0.3979
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 51 52 53 54 55 56 57 58 59 60
6 6 6 8 6 6 6 6 6 6 7 6 8 6 7 6 8 6 7 6 8 6 6 6 6 6 6 6 6 6 6 6 6 9 9 9 1 1 1 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 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 1.00783 1.00783 1.00783
13068.2169 33465.8178 40221.2371
0.99945 0.03292 -0.00469 -0.03296 0.99941 -0.00914 0.00439 0.00929 0.99995
1
0.00663 0.00259 0.00215
0.13810 0.05393 0.04487
8.32 12.21 15.26 24.02 44.41 54.13 73.33 77.85 96.89 105.96 117.93 126.23 146.43 171.60 180.00 224.05 226.75 261.91 264.68 316.49 320.00 329.66 338.70 355.52 367.68 369.21 385.40 418.51 430.72 456.44 464.76 514.76 537.07 562.92 617.25 642.42 656.09 661.04 670.70 680.60 702.75 729.92 750.72 769.07 815.12 827.13 832.86 840.97 853.31 905.05 906.12 930.43 931.57 988.53 1002.95 1005.73 1023.76 1058.15 1090.22 1123.81 1156.93 1174.36 1176.02 1196.71 1197.77 1198.74 1221.54 1231.85 1256.18 1273.73 1283.07 1307.09 1340.08 1359.55 1409.87 1420.67 1423.96 1444.90 1477.27 1507.44 1513.25 1514.28 1534.91 1542.68 1558.72 1576.73 1593.16 1603.87 1609.26 1620.30 1629.77 1669.16 1672.82 1716.61 1732.44 1772.76 1784.66 1793.40 1808.78 1837.47 1849.12 1865.91 1875.02 1875.46 1886.38 1888.20 1899.44 1941.08 1942.18 1971.15 1977.84 2008.55 2013.45 2025.25 2053.53 2087.24 2093.62 2103.06 2114.56 2117.07 2146.12 2170.97 2227.90 2229.74 2243.57 2256.76 2261.02 2279.00 2300.17 2302.70 2306.74 2330.43 2343.75 2357.45 2358.30 2366.13 2366.76 2381.93 2392.01 2420.77 2425.87 2517.28 2567.49 2591.42 2603.54 2629.02 2643.62 2850.25 2859.78 2943.36 4607.67 4620.42 4629.65 4638.67 4662.04 4683.28 4702.28 4714.32 4716.67 4723.82 4780.65 4826.30 4835.76 4843.53 4846.41 4867.17 4871.35 4899.27 4922.31 4935.74 4973.55 4997.56 5577.72 5606.53
0.504004
0.534560
0.535504
0.435052
-1759.263944
-1759.233388
-1759.232443
-1759.332896
3.369210D-04
MUNgauss
RevisionA2.0
retrievium
31-Jan-2020
DUDE CCCOc1ccc(cc1NC(=O)CN2C(=O)[C@](NC2=O)(C)c3cccc4c3cccc4)C(F)(F)F C08987973
RHF
6-31G(d)
(6D,10F)
C1
499.171891
|X|Y|Z|
128.019363 73.172883 43.224678
73.980830
24
|36.858105|
|12.465504|36.858105|
|7.543438|12.550787|36.858105|
|5.095404|8.046830|13.506924|73.516695|
|3.881398|5.210795|7.944677|25.071028|36.858105|
|3.595398|4.390133|6.678260|14.016805|13.838934|36.858105|
|2.850175|3.329817|4.489507|9.237138|7.943575|13.685632|36.858105|
|2.523130|2.977832|3.786774|8.240556|6.897279|7.966960|13.876493|36.858105|
|2.613008|3.195610|3.971049|9.423041|7.926811|6.862441|7.917597|13.652271|36.858105|
|3.140932|4.078221|5.224936|14.553830|13.528825|7.887842|6.843540|7.937670|13.835846|36.858105|
|3.116332|4.138093|4.760971|13.042960|7.982313|5.203457|4.551062|5.120529|7.732770|13.558736|53.358707|
|2.602064|3.287441|3.575025|8.606561|5.159924|3.899736|3.676291|4.310271|6.287987|7.665029|19.119127|36.858105|
|2.274099|2.776487|3.052934|7.012384|4.429725|3.597221|3.608359|4.474800|6.560732|6.514907|11.427833|15.944407|73.516695|
|2.562973|3.212473|3.254646|7.394014|4.017013|3.145348|2.907629|3.226999|4.208186|5.045701|10.786107|12.459858|14.198420|36.858105|
|2.154437|2.592306|2.617256|5.658565|3.158464|2.612847|2.499094|2.803636|3.527545|3.874013|7.111137|7.795931|12.567233|13.302061|53.358707|
|1.965254|2.320079|2.344287|4.957635|2.795122|2.372954|2.302771|2.584428|3.171653|3.365929|5.792041|5.844233|10.388571|7.707860|18.961043|36.858105|
|2.008174|2.368915|2.388890|5.028560|2.819545|2.397748|2.315062|2.575171|3.131494|3.347994|5.679319|5.382591|9.287235|6.659853|11.438187|16.017372|73.516695|
|1.714034|1.979349|2.001528|4.133091|2.353925|2.057151|2.031177|2.279490|2.714154|2.780032|4.519611|4.308207|8.186660|5.103725|11.055999|12.354870|13.774021|36.858105|
|1.745768|2.021534|2.045929|4.238323|2.414025|2.102830|2.073568|2.329570|2.785615|2.860891|4.676719|4.496467|8.534383|5.353515|11.842036|8.334671|9.804381|13.096315|53.358707|
|1.972393|2.329204|2.354564|4.980501|2.808665|2.383776|2.312767|2.595396|3.185694|3.382468|5.817866|5.870115|10.439742|7.690733|18.688111|8.321026|9.886971|8.064905|19.200261|36.858105|
|2.023499|2.388328|2.409943|5.073880|2.845041|2.418133|2.333085|2.593637|3.153884|3.376495|5.721324|5.413103|9.336325|6.634120|11.309349|5.557531|7.510285|5.416995|11.316943|15.979952|73.516695|
|1.606994|1.828465|1.814547|3.663152|2.047897|1.808926|1.771542|1.945469|2.258599|2.339305|3.740642|3.350801|6.077103|4.041876|7.683863|7.502292|10.807935|12.366225|10.690119|5.668690|7.699141|36.858105|
|1.581024|1.807906|1.859548|3.817289|2.226652|1.987219|2.007349|2.284692|2.680891|2.637192|4.099559|3.810097|7.741998|4.024505|7.438750|7.394023|10.744481|12.309839|10.438166|5.463233|7.415963|7.402524|36.858105|
|1.520073|1.731010|1.799585|3.687721|2.183799|1.972680|2.023652|2.329764|2.711168|2.596387|3.935901|3.618302|7.650467|3.625452|6.375245|5.394610|7.937102|7.630878|9.508032|5.130889|7.414397|5.274972|13.972623|36.858105|
|1.400278|1.577205|1.650796|3.342875|1.998901|1.843646|1.920654|2.212348|2.504409|2.344399|3.431293|3.025553|6.369735|2.934029|4.804409|3.972347|6.315628|4.977500|6.279085|3.745678|5.765971|3.969109|7.825091|13.473362|36.858105|
|1.343082|1.503586|1.570303|3.153993|1.879904|1.746255|1.818728|2.075937|2.318195|2.176789|3.159016|2.727481|5.610524|2.657946|4.253277|3.632974|6.101721|4.368064|5.160967|3.166713|4.886787|3.712347|6.755109|7.957215|14.101437|36.858105|
|1.384535|1.553047|1.609731|3.233869|1.907225|1.756751|1.807510|2.044587|2.299573|2.200700|3.240846|2.804951|5.641916|2.800622|4.520170|4.098184|7.175767|4.880876|5.262323|3.223953|4.859784|4.265436|7.753351|6.873895|7.931490|13.422327|36.858105|
|1.502351|1.702118|1.750154|3.550389|2.070625|1.871603|1.897076|2.141602|2.463019|2.411122|3.664164|3.264386|6.489069|3.386330|5.749602|5.717448|9.908727|7.227582|6.732485|3.977323|5.720280|5.978509|13.182987|7.890215|6.769901|7.747963|13.460191|36.858105|
|1.529522|1.728929|1.758915|3.543779|2.036766|1.835649|1.837181|2.041334|2.335602|2.334753|3.569201|3.108491|5.906538|3.316589|5.451295|5.586652|11.054815|6.112401|5.710237|3.573494|5.195581|5.866275|7.493361|5.081431|4.499289|5.104250|7.871628|13.369590|36.858105|
|1.431243|1.598986|1.627406|3.233624|1.860033|1.701475|1.709893|1.882409|2.108942|2.095068|3.127535|2.631311|4.957746|2.746807|4.287058|4.057617|8.129964|4.258749|4.399813|2.850448|4.302841|4.267785|5.043270|3.933029|3.787576|4.537174|6.851611|7.835027|14.008998|36.858105|
|1.325922|1.470651|1.509257|2.981654|1.734013|1.609245|1.638451|1.809506|1.996822|1.946590|2.843682|2.365563|4.533068|2.400450|3.692798|3.331528|6.381023|3.579498|3.901940|2.530089|3.897768|3.499129|4.455520|3.782794|3.953689|5.146977|7.877378|6.726696|7.902705|13.503750|36.858105|
|1.308518|1.454312|1.504027|2.985589|1.754673|1.633535|1.680642|1.877805|2.073480|1.989301|2.888687|2.428144|4.769700|2.421879|3.768990|3.350261|6.140958|3.745035|4.155930|2.647713|4.083679|3.504048|5.061595|4.545709|5.164197|7.764763|13.420393|7.756523|6.872145|7.980176|14.045393|36.858105|
|2.111134|2.412711|2.925125|6.037671|4.469048|5.040060|7.604127|12.691253|7.670358|5.071077|5.241261|3.546921|6.913270|2.761423|3.422196|2.372441|4.183282|2.157531|2.991128|2.380868|4.207061|1.844871|2.225507|2.317139|2.263853|2.131620|2.060643|2.105744|1.979762|1.843755|1.807055|1.900669|36.858105|
|2.028557|2.261763|2.739037|5.398620|3.859674|4.640451|7.021074|8.118016|5.263567|4.013485|4.288904|2.884065|5.460034|2.344741|2.924381|2.041638|3.619665|1.876520|2.596432|2.049139|3.642063|1.635886|1.931417|2.004054|1.977506|1.882744|1.823120|1.848073|1.753761|1.654630|1.631406|1.706374|14.382445|97.533100|
|1.966128|2.239095|2.650923|5.460513|3.886045|4.158723|5.581311|8.132417|6.520003|4.517915|4.949922|3.487664|6.991393|2.736680|3.459001|2.466296|4.409824|2.246532|3.045716|2.378324|4.106989|1.912411|2.371446|2.460841|2.442764|2.337222|2.264494|2.285456|2.145865|2.013501|1.990789|2.101707|14.378669|20.112991|97.533100|
|1.965922|2.239084|2.650357|5.460312|3.885776|4.154606|5.571971|8.132727|6.534599|4.522788|4.956657|3.497836|7.026071|2.742332|3.470091|2.380909|4.104127|2.211672|3.129081|2.484390|4.448014|1.878249|2.294275|2.450167|2.404894|2.218692|2.099513|2.133689|1.968644|1.818759|1.792142|1.911172|14.377562|20.111700|20.186178|97.533100|
|17.571191|8.804095|5.496002|7.482757|3.294417|3.024751|2.477490|2.244652|2.346387|2.787161|3.870976|2.438444|3.793936|2.467687|2.853879|1.919024|3.486237|1.680504|2.327484|1.925305|3.510686|1.594095|1.540026|1.474121|1.355168|1.301812|1.346420|1.464955|1.498841|1.403881|1.296488|1.274740|1.909767|4.120626|4.041120|4.041049|0.500000|
|17.541525|8.762932|6.818037|8.306152|3.719195|3.565810|2.847199|2.492616|2.539749|3.001644|3.975977|2.453307|3.858274|2.390773|2.763284|1.880078|3.450014|1.642309|2.253829|1.850900|3.340629|1.541481|1.529314|1.468439|1.361729|1.314769|1.358488|1.466905|1.499803|1.414232|1.313736|1.292391|2.097667|4.579827|4.427678|4.341377|0.302072|0.500000|
|17.541692|8.763085|6.818068|8.306145|3.719915|3.566109|2.847700|2.493274|2.540546|3.002633|3.977384|2.455151|3.861752|2.392407|2.766369|1.846975|3.320841|1.630115|2.280021|1.889866|3.482208|1.525723|1.511041|1.466043|1.355817|1.295939|1.326223|1.430906|1.445304|1.352853|1.261284|1.251713|2.098164|4.581514|4.342833|4.427583|0.302077|0.301381|0.500000|
|8.828078|17.547066|8.942967|13.104500|4.912430|4.041599|3.149078|2.886902|3.156933|4.041918|5.816241|3.431616|5.090530|3.433828|3.737066|2.483420|4.587850|2.085131|2.856186|2.411827|4.320023|1.934131|1.893140|1.789166|1.623494|1.556510|1.624217|1.793453|1.843593|1.705082|1.554410|1.524905|2.355203|4.925560|5.017110|4.894796|0.212134|0.210193|0.172561|0.500000|
|8.828050|17.547415|8.943054|13.104418|4.914087|4.042052|3.149765|2.887925|3.158457|4.044315|5.820593|3.436621|5.098466|3.438619|3.744641|2.408965|4.297874|2.060468|2.909745|2.499477|4.638166|1.903430|1.858979|1.784856|1.613553|1.525694|1.570176|1.729159|1.745564|1.601061|1.469953|1.459619|2.355908|4.927662|4.895317|5.018665|0.212133|0.172559|0.210197|0.303042|0.500000|
|6.852336|8.835719|17.551549|16.537977|7.081722|6.775598|4.597827|3.765638|3.806682|4.772520|5.744020|3.262143|5.072660|2.951745|3.300117|2.164610|3.867983|1.882032|2.649274|2.233068|4.122519|1.707362|1.758977|1.722779|1.589131|1.505064|1.528381|1.649025|1.642133|1.521568|1.422326|1.426567|2.936190|6.295074|5.846958|6.059279|0.140309|0.168197|0.202812|0.174120|0.213164|0.500000|
|6.852606|8.835812|17.551307|16.537456|7.076477|6.773318|4.595608|3.763285|3.803910|4.768414|5.739650|3.257756|5.064684|2.948633|3.294835|2.218554|4.077011|1.900897|2.608309|2.169389|3.892580|1.729573|1.788044|1.726664|1.598683|1.534847|1.578481|1.704947|1.723622|1.610748|1.499050|1.487831|2.934775|6.290597|6.059561|5.843188|0.140313|0.202822|0.168204|0.213161|0.174122|0.300654|0.500000|
|4.005680|4.675887|7.427689|12.546823|8.931916|17.773745|8.934793|5.674942|4.950960|5.616303|5.738427|3.280522|5.369049|2.774091|3.176013|2.134733|3.848543|1.867303|2.593796|2.144004|3.880430|1.667436|1.799344|1.781193|1.672020|1.592813|1.606163|1.705885|1.685000|1.574071|1.490767|1.505603|4.109821|9.068163|7.845112|7.835564|0.091045|0.112679|0.112661|0.115567|0.115548|0.226445|0.226588|0.500000|
|2.647386|2.974516|3.895490|7.453891|5.661005|8.922510|17.765541|8.940867|5.633088|4.940433|4.931636|3.051997|5.390442|2.499059|2.987563|2.046865|3.663053|1.833687|2.542516|2.055174|3.689853|1.616951|1.825982|1.848451|1.776051|1.692493|1.675899|1.740274|1.687256|1.585968|1.532258|1.571957|6.993418|17.984674|11.683113|11.653842|0.064188|0.074419|0.074428|0.077835|0.077846|0.113505|0.113470|0.216459|0.500000|
|2.328497|2.805883|3.323144|7.618336|5.645796|4.954083|5.646674|8.878527|17.814841|8.986301|9.556523|6.891883|15.157367|4.443638|5.287908|3.521138|6.075656|3.037637|4.246005|3.534177|6.107073|2.460395|3.063632|3.149505|2.900485|2.646470|2.595144|2.776431|2.573635|2.295660|2.182110|2.299095|7.125769|10.798238|15.299741|15.368022|0.059106|0.062774|0.062795|0.078017|0.078058|0.088487|0.088427|0.107618|0.124063|0.500000|
|3.593308|5.046864|5.559582|16.012247|7.761616|4.975635|4.108216|4.305434|5.773069|9.406921|26.061136|9.428597|10.848027|7.724240|6.697302|4.001994|7.075040|3.121118|4.387987|4.018444|7.128114|2.666495|2.771360|2.626664|2.292767|2.129077|2.203285|2.499706|2.481058|2.188621|1.976392|1.984618|3.308024|6.330057|7.020274|7.025899|0.091130|0.091693|0.091713|0.147846|0.147929|0.130963|0.130901|0.117406|0.093068|0.143722|0.500000|
|2.689804|3.391062|3.354696|7.525381|3.943457|3.089845|2.811429|3.051001|3.876193|4.721584|9.669976|8.860847|11.016662|17.612771|12.642615|7.259184|13.170085|4.661904|6.133013|5.748476|8.839949|3.916815|3.732016|3.263420|2.701994|2.519899|2.719195|3.299671|3.386686|2.838879|2.437531|2.403197|2.603872|5.042729|5.874872|5.686122|0.072424|0.070199|0.068387|0.104619|0.098918|0.082341|0.085568|0.076701|0.067498|0.110486|0.211263|0.500000|
|2.703942|3.412500|3.372639|7.567463|3.957576|3.097862|2.815400|3.052256|3.876145|4.731366|9.698862|8.860815|10.994298|17.614176|12.642050|5.777041|8.891259|4.358397|6.649937|7.251311|13.101184|3.649972|3.459843|3.213034|2.640725|2.381737|2.471691|2.923420|2.854557|2.411135|2.135379|2.158622|2.602746|5.043603|5.672724|5.876353|0.072806|0.068681|0.070571|0.099482|0.105463|0.086032|0.082665|0.076921|0.067583|0.110304|0.212853|0.300292|0.500000|
|1.630477|1.865734|1.882920|3.844146|2.188267|1.933426|1.914706|2.136012|2.503442|2.548333|4.056464|3.730985|7.065496|4.289053|8.309076|5.867758|7.707114|8.784562|26.077335|9.354447|13.054695|6.972977|6.449537|6.516947|4.513713|3.659296|3.618310|4.405778|3.719738|2.958379|2.683807|2.886425|2.038856|4.024167|4.648544|4.842829|0.044507|0.042946|0.043729|0.053399|0.054918|0.050213|0.049035|0.049038|0.048353|0.077239|0.078369|0.102752|0.114040|0.500000|
|1.679063|1.913869|1.872759|3.768994|2.073154|1.818230|1.759157|1.911932|2.220838|2.344500|3.799192|3.362944|5.877781|4.260281|7.989851|6.996751|10.150725|8.808102|9.890164|5.903322|8.212282|17.565525|5.436759|4.265648|3.317478|3.088413|3.449636|4.531498|4.609090|3.578796|2.973062|2.939374|1.791961|3.588947|4.131588|4.094637|0.046576|0.044457|0.044181|0.056374|0.055817|0.048865|0.049240|0.046766|0.044537|0.066267|0.076727|0.115702|0.110252|0.181879|0.500000|
|1.488173|1.677286|1.668999|3.339763|1.877303|1.677972|1.655116|1.815933|2.081977|2.129663|3.337978|2.940414|5.415629|3.416973|6.207693|5.496285|8.159959|8.858866|9.656126|4.951435|7.107119|17.563946|6.810310|5.352781|4.119031|3.810507|4.229779|5.536604|5.086544|3.911506|3.367666|3.463597|1.742749|3.497685|4.057515|4.028492|0.041025|0.039675|0.039508|0.048854|0.048545|0.044006|0.044237|0.043120|0.042251|0.063046|0.065913|0.090613|0.088075|0.203498|0.300745|0.500000|
|1.570132|1.777070|1.761249|3.532264|1.972821|1.752342|1.716727|1.876702|2.160877|2.234670|3.533991|3.102459|5.605582|3.664271|6.520133|6.612162|11.041994|8.665223|7.660226|4.489481|6.343270|17.689251|6.660031|4.658194|3.726928|3.688719|4.492901|6.440663|7.354628|5.213835|4.013432|3.832712|1.784161|3.577390|4.199199|4.044483|0.043323|0.042123|0.041234|0.052585|0.050893|0.045818|0.047050|0.045033|0.043683|0.065008|0.070257|0.102711|0.090941|0.140392|0.301215|0.302596|0.500000|
|1.559038|1.781016|1.852501|3.810485|2.256454|2.029458|2.077596|2.395599|2.806226|2.695360|4.110933|3.815579|8.102963|3.823184|6.782770|5.218057|7.379876|7.155799|11.327508|6.033690|8.891861|4.951950|9.018984|17.799915|8.934502|5.700532|4.959748|5.612242|4.105020|3.274597|3.127711|3.621596|2.369447|4.595707|5.548630|5.733094|0.041968|0.041568|0.041960|0.050758|0.051472|0.049570|0.048926|0.050796|0.052547|0.090735|0.076008|0.092436|0.096216|0.227181|0.117245|0.140882|0.116330|0.500000|
|1.355291|1.519955|1.597890|3.221195|1.937345|1.804582|1.895944|2.187208|2.443768|2.260758|3.255940|2.824150|5.945090|2.696810|4.303199|3.396247|5.408439|4.099700|5.549134|3.431852|5.490787|3.367500|5.621083|8.851278|17.723190|9.006210|5.625383|4.899372|3.588801|3.133431|3.297926|4.172279|2.272423|4.485903|5.475158|5.535168|0.036370|0.036581|0.036667|0.043126|0.043267|0.043075|0.042935|0.045519|0.048982|0.078568|0.060382|0.068491|0.068683|0.114310|0.080887|0.098041|0.087162|0.217572|0.500000|
|1.264480|1.405134|1.471016|2.929345|1.751025|1.646818|1.726934|1.962128|2.150992|2.004801|2.860559|2.415956|4.921348|2.332637|3.632548|3.024795|5.166288|3.504500|4.278436|2.704910|4.278235|3.090751|4.890140|5.636570|9.005044|17.711020|8.838915|5.564698|4.165202|3.969762|4.752381|7.173406|2.044162|4.108756|5.065624|4.791904|0.034026|0.034499|0.033992|0.040269|0.039473|0.039328|0.040122|0.041922|0.045045|0.067632|0.053751|0.061817|0.058759|0.085489|0.073371|0.088607|0.086022|0.124869|0.215414|0.500000|
|1.630904|1.855393|1.868528|3.778423|2.141574|1.905222|1.880735|2.074927|2.397896|2.451205|3.833667|3.359284|6.183832|3.745591|6.236800|6.821197|14.750267|6.798592|6.102431|3.904292|5.581815|6.851499|6.819271|4.609456|3.893239|4.133993|5.613834|8.800687|17.850285|9.115692|5.659143|4.965134|1.977130|3.936886|4.769545|4.399847|0.044563|0.044281|0.042554|0.055434|0.052169|0.048108|0.050654|0.048621|0.047709|0.072659|0.074953|0.109110|0.088475|0.107559|0.152566|0.149993|0.258174|0.108866|0.088926|0.095817|0.500000|
|1.435640|1.596835|1.612974|3.180416|1.811838|1.658420|1.653449|1.799348|2.004357|2.014621|3.006490|2.485571|4.579962|2.622270|3.998576|3.715675|7.670287|3.735290|3.957477|2.628388|4.013292|3.876366|4.099411|3.281564|3.132514|3.612650|4.941201|5.601182|9.037899|17.715851|8.837562|5.674634|1.749169|3.557903|4.277535|3.849700|0.039270|0.039537|0.037534|0.047596|0.044232|0.041718|0.044529|0.042886|0.042695|0.059753|0.059174|0.076843|0.064376|0.074108|0.093928|0.097697|0.133137|0.078570|0.074135|0.090386|0.220861|0.500000|
|1.262025|1.389130|1.423884|2.787280|1.618078|1.514265|1.542493|1.689196|1.840461|1.794693|2.594270|2.120013|4.022126|2.142861|3.229678|2.838282|5.453108|2.989672|3.362472|2.219421|3.474274|2.969377|3.560282|3.131167|3.301269|4.169163|5.606744|4.875755|5.639324|8.818306|17.718004|8.996865|1.693003|3.474718|4.196721|3.759323|0.034320|0.034879|0.033364|0.040767|0.038415|0.037323|0.039487|0.039203|0.040338|0.055301|0.050385|0.060801|0.053502|0.064848|0.071991|0.079975|0.093732|0.074064|0.079239|0.112768|0.124748|0.213249|0.500000|
|1.235315|1.364583|1.416108|2.793373|1.648955|1.551596|1.607958|1.793425|1.952808|1.856540|2.657009|2.203040|4.331661|2.170504|3.322527|2.858870|5.186764|3.166260|3.665601|2.366578|3.719422|2.973565|4.136711|3.977708|4.770862|7.198459|8.862172|5.573800|4.950997|5.649300|9.002023|17.707704|1.839397|3.746026|4.588766|4.176831|0.033391|0.033960|0.032954|0.039544|0.037987|0.037506|0.039015|0.039847|0.042086|0.059966|0.050708|0.059564|0.054362|0.071818|0.070853|0.082983|0.088399|0.090714|0.112866|0.221128|0.107727|0.124283|0.215909|0.500000|
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