Version2.4
2021-05-26T13:44:57Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
01-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C=CCOc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc4c3cccc4)CCO)[O-] C40099548
RHF
6-31G(d)
(6D,7F)
C=CCOc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc4c3cccc4)CCO)[O-]
C01[X(C26H22N1O5)]
156
C1
524
OCCN1C(=O)C(=C([C@H]1c1cccc2c1cccc2)C(=O)c1ccc(cc1)OCC=C)[O-]
OCCN1C(=O)C(=C([C@H]1c1cccc2c1cccc2)C(=O)c1ccc(cc1)OCC=C)[O-]
OCCN1[C@H](c2cccc3ccccc23)C(=C([O-])C1=O)C(=O)c4ccc(OCC=C)cc4
InChIKey=JYIOMGIYQILBAX-HSZRJFAPSA-M
InChI=1S/C26H23NO5/c1-2-16-32-19-12-10-18(11-13-19)24(29)22-23(27(14-15-28)26(31)25(22)30)21-9-5-7-17-6-3-4-8-20(17)21/h2-13,23,28,30H,1,14-16H2/p-1/t23-/m1/s1
InChI=1/C26H23NO5/c1-2-16-32-19-12-10-18(11-13-19)24(29)22-23(27(14-15-28)26(31)25(22)30)21-9-5-7-17-6-3-4-8-20(17)21/h2-13,23,28,30H,1,14-16H2/p-1/t23-/m1/s1/fC26H22NO5/h30h/q-1
C=CCOc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc4c3cccc4)CCO)[O-]
C01[X(C26H22N1O5)]
156
C01
524
OCCN1C(=O)C(=C([C@H]1c1cccc2c1cccc2)C(=O)c1ccc(cc1)OCC=C)[O-]
OCCN1C(=O)[C]([C]([C](=O)[C]2[CH][CH][C]([CH][CH]2)OCC=C)[C@H]1[C]1[CH][CH][CH][C]2[C]1[CH]=[CH][CH]=[CH]2)=O
OCCN1[C@H]([C]2[CH][CH][CH][C]3C=CC=C[C]23)[C](C(=O)[C]4[CH][CH][C]([CH][CH]4)OCC=C)C(=O)C1=O
InChIKey=SAFHKPAAERBNKX-HSZRJFAPSA-N
InChI=1S/C26H22NO5/c1-2-16-32-19-12-10-18(11-13-19)24(29)22-23(27(14-15-28)26(31)25(22)30)21-9-5-7-17-6-3-4-8-20(17)21/h2-13,23,28H,1,14-16H2/t23-/m1/s1
InChI=1/C26H22NO5/c1-2-16-32-19-12-10-18(11-13-19)24(29)22-23(27(14-15-28)26(31)25(22)30)21-9-5-7-17-6-3-4-8-20(17)21/h2-13,23,28H,1,14-16H2/t23-/m1/s1
3029.0525282668
-1426.1673381
1-A
18299.1023
113
411
524
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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9.49833
-1.2884 -5.8472 -1.7044
6.2253
|XX|YY|ZZ|XY|XZ|YZ|
-212.8233 -230.3395 -192.1960 -7.7864 -0.4267 5.6731
|XX|YY|ZZ|XY|XZ|YZ|
-1.0370 -18.5533 19.5903 -7.7864 -0.4267 5.6731
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-82.8205 -111.1317 -11.2593 -25.5764 8.8057 -80.9939 -9.9333 -18.9982 32.9441 -14.3716
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
14.4418 18.3090 24.9542 31.1597 41.7689 46.0743 59.9306 68.4112 74.3214 92.8434 108.9170 121.4139 125.4193 134.4342 137.3144 160.6788 186.0485 194.4266 213.2452 225.8829 253.7516 274.8089 293.5335 311.8100 338.3456 363.8199 374.3441 381.9294 411.6210 435.4009 441.5437 456.4487 467.5555 477.1605 518.0796 529.8662 533.6292 544.0323 545.9752 567.8432 570.2369 596.5068 616.4534 634.2600 667.5685 688.1028 694.6567 702.4871 727.7446 769.5708 788.7767 814.7054 817.1803 852.6400 858.0451 873.5449 881.4832 893.8320 897.5319 908.9526 915.3960 919.3220 951.5135 953.6617 955.1752 963.7442 989.1969 1019.4461 1026.9425 1070.8032 1074.2577 1076.4083 1082.0783 1090.0789 1097.3726 1097.8480 1104.8338 1109.9559 1114.2452 1115.9963 1135.5731 1149.5278 1170.3430 1185.9181 1197.8193 1204.1010 1219.4710 1221.1538 1250.9282 1274.3939 1282.0453 1289.1870 1300.2649 1300.8991 1305.7612 1317.1495 1349.9840 1352.2147 1358.9073 1386.1954 1395.1389 1398.2076 1416.8941 1432.4450 1433.4127 1463.6616 1466.2816 1476.3854 1512.5800 1517.1431 1532.4702 1536.8590 1544.9733 1553.3279 1572.5920 1576.4642 1603.9801 1607.4443 1608.6335 1628.3900 1633.5943 1667.1459 1668.4406 1685.7282 1692.6661 1752.0868 1782.0140 1798.0158 1804.1614 1814.2636 1837.1818 1874.3352 1885.0566 1959.0521 3190.9742 3219.7918 3233.8438 3241.4106 3265.7804 3286.2177 3294.0223 3324.7246 3334.3460 3339.4004 3351.0145 3353.0903 3361.2444 3369.8753 3372.2324 3383.3825 3390.3127 3403.6664 3417.5939 3452.4084 3453.6850 4096.7702
5.2574 4.1596 5.4360 5.9019 5.2775 5.8451 7.8736 4.5784 5.2633 2.9523 11.2527 4.2362 3.7928 3.6437 3.6377 5.0819 4.4205 4.1607 4.5652 4.1025 5.5945 4.8228 4.1362 4.8404 3.7558 6.8965 2.7392 4.8747 2.3457 2.0518 4.0481 4.4858 3.0716 3.3942 3.5611 3.3206 4.8154 4.6017 5.1707 5.4575 4.0823 6.1451 3.7626 3.5007 2.4491 5.3779 4.2699 5.4328 3.1854 3.6129 3.4944 5.0772 1.5008 5.5845 4.3726 2.2292 3.9110 1.6890 9.4114 3.8774 1.3792 4.6766 2.2504 2.2585 3.6820 1.9959 2.2240 1.5029 1.4329 1.3318 3.6860 1.7605 2.4800 1.4627 1.3756 1.4929 1.4556 2.6041 1.5934 2.0132 2.7655 1.2828 2.9390 2.5866 4.1102 1.8578 1.8869 3.3269 2.2297 1.5959 1.8382 1.1677 1.6197 1.7888 1.3775 1.9216 1.7436 2.0571 1.9191 1.9625 1.2050 4.7730 3.4848 1.5260 2.0368 1.7645 1.3825 6.2381 2.0775 1.3039 1.4101 1.2707 1.7061 1.7586 1.7855 1.9659 2.3231 1.6985 1.7803 1.9194 1.3442 1.1020 1.1387 2.9276 2.3970 8.1859 6.6119 7.8831 4.7806 5.4343 5.5300 12.3421 4.3852 11.7448 1.0609 1.0615 1.0620 1.1034 1.1091 1.0865 1.1012 1.0603 1.0866 1.0865 1.0954 1.0928 1.0950 1.0969 1.0911 1.0938 1.0906 1.1159 1.0931 1.0924 1.0936 1.0662
0.0006 0.0008 0.0020 0.0034 0.0054 0.0073 0.0167 0.0126 0.0171 0.0150 0.0786 0.0368 0.0352 0.0388 0.0404 0.0773 0.0902 0.0927 0.1223 0.1233 0.2122 0.2146 0.2100 0.2773 0.2533 0.5378 0.2262 0.4190 0.2342 0.2292 0.4650 0.5507 0.3956 0.4553 0.5632 0.5493 0.8079 0.8025 0.9081 1.0368 0.7821 1.2883 0.8424 0.8297 0.6431 1.5003 1.2140 1.5796 0.9940 1.2607 1.2809 1.9855 0.5905 2.3920 1.8968 1.0023 1.7905 0.7951 4.4669 1.8875 0.6809 2.3287 1.2005 1.2102 1.9793 1.0922 1.2822 0.9203 0.8904 0.8997 2.5063 1.2018 1.7109 1.0241 0.9760 1.0602 1.0469 1.8902 1.1656 1.4773 2.1011 0.9987 2.3718 2.1433 3.4746 1.5870 1.6533 2.9230 2.0557 1.5271 1.7802 1.1435 1.6135 1.7836 1.3838 1.9642 1.8722 2.2161 2.0880 2.2218 1.3819 5.4977 4.1220 1.8449 2.4657 2.2271 1.7512 8.0112 2.8004 1.7682 1.9511 1.7683 2.3994 2.5001 2.6016 2.8786 3.5215 2.5858 2.7143 2.9987 2.1135 1.8046 1.8675 4.9016 4.0464 14.8056 12.3708 15.0154 9.1683 10.5388 10.9972 25.5465 9.1810 26.5574 6.3646 6.4834 6.5436 6.8302 6.9691 6.9133 7.0398 6.9052 7.1178 7.1390 7.2471 7.2389 7.2892 7.3390 7.3107 7.3772 7.3860 7.6168 7.5225 7.6713 7.6857 10.5436
2.1525 0.7037 0.6635 0.3666 0.4606 0.0443 0.4594 0.5726 2.3146 2.4250 0.8779 2.0387 0.5454 2.9143 4.5054 3.2999 6.0315 0.1866 2.7155 5.2293 5.1184 25.3133 3.3021 5.7433 3.4414 1.6165 15.7983 24.2343 48.2340 83.8783 13.6528 5.1206 1.4984 31.4345 3.1421 0.9547 2.2575 5.7469 0.7154 2.3854 12.0509 21.8825 4.4326 13.5669 25.0909 12.4624 2.5915 5.4954 27.8097 18.9982 2.1668 11.9294 2.9610 12.7406 18.4373 65.5457 29.3980 71.3545 1.8724 30.4765 1.0071 59.3840 17.1246 10.9324 17.1340 10.1856 31.9886 4.9867 3.2822 51.7734 2.3530 6.3294 1.1646 2.0933 4.5332 10.7654 1.6694 0.4929 11.1248 0.1566 1.6096 9.5188 2.3726 40.7734 85.3408 53.6286 3.6350 12.5160 58.8051 6.9864 10.9486 2.6095 42.9493 6.3226 1.7796 164.2162 55.7254 118.1385 55.5360 2.3962 46.2330 493.1794 38.1503 18.2310 14.5438 25.9666 6.8781 5.3550 411.8465 60.4059 70.5265 64.0897 54.1199 176.9392 66.4198 64.8413 155.4552 17.2484 146.4450 4.5649 25.8919 0.8428 24.5003 13.0547 109.4309 397.2380 12.6458 424.7441 36.2779 163.9289 1.7840 357.4408 3.5441 563.8274 31.7051 23.9002 85.5268 36.5365 47.5799 15.0100 49.8135 20.8239 3.7643 1.4768 8.0554 28.0508 77.5402 75.4342 22.1477 17.9939 28.7424 31.6813 6.0359 5.6035 16.1872 42.4967
1.6570 4.6678 8.6556 2.0407 2.9903 3.3322 2.6939 3.8369 4.2426 1.2126 0.4642 2.5727 4.4571 2.2339 0.9637 1.5205 1.3973 0.8334 1.0680 0.7415 3.4824 1.3977 0.6485 5.6283 2.2121 4.5457 1.6106 0.5914 2.8093 1.9888 0.7970 3.5014 1.2089 2.7285 0.4728 1.6119 2.9042 2.0971 6.2584 5.2493 3.0325 2.9804 2.1056 3.8220 6.9279 1.0827 5.2120 6.2339 11.3543 2.9399 1.2527 17.6047 5.0592 2.7979 2.8971 5.0839 11.0906 1.3598 1.8368 18.0737 5.4305 12.5250 0.6928 8.0180 8.0975 2.2810 3.8777 6.3302 2.8506 2.6630 5.2229 4.2584 1.8908 3.2665 1.5033 5.1856 3.9270 2.8895 0.0771 1.0722 2.8275 6.4655 5.0695 4.5877 3.7498 5.7201 6.0077 5.1981 36.5722 6.8744 6.9149 12.2873 4.9312 15.2715 2.3768 1.6006 9.0122 5.5962 18.8298 12.6827 11.6805 75.5105 12.7183 44.1736 23.1744 8.6097 2.7151 215.4006 23.8069 7.1222 22.0966 7.0750 3.8579 19.3164 7.9935 4.5919 29.7856 33.9288 12.6314 6.6237 19.1154 8.3158 5.2798 3.0380 5.4655 81.6276 129.1546 25.9697 3.8281 248.0511 3.1386 38.7684 46.6324 31.5979 78.4525 39.6398 156.5679 28.4885 100.5519 27.9612 34.4639 76.7522 31.5764 64.5880 102.4405 147.1167 123.0723 281.0782 117.1591 108.5477 71.9910 100.5189 68.0446 80.1886 42.5700 38.7525
0.7386 0.7452 0.7498 0.7256 0.7344 0.7426 0.7492 0.7485 0.7435 0.7500 0.5259 0.7132 0.7493 0.7456 0.6800 0.7478 0.7009 0.5386 0.4076 0.6928 0.1647 0.7091 0.7467 0.5753 0.6731 0.7445 0.5495 0.6856 0.7259 0.7285 0.6790 0.1985 0.6621 0.5032 0.6469 0.6898 0.1119 0.7495 0.2596 0.7352 0.6716 0.3467 0.6363 0.0900 0.4485 0.5234 0.5684 0.5916 0.2340 0.6456 0.5417 0.0933 0.7469 0.4496 0.3245 0.7152 0.4781 0.6095 0.4281 0.1056 0.2398 0.1911 0.7112 0.0692 0.1062 0.3485 0.3973 0.2554 0.7399 0.5723 0.4188 0.2785 0.7497 0.5507 0.3844 0.2366 0.3848 0.1891 0.3257 0.2720 0.7450 0.4645 0.3695 0.6278 0.6060 0.7198 0.5996 0.7449 0.3256 0.7365 0.1981 0.5606 0.3493 0.1340 0.5251 0.1511 0.3166 0.3103 0.1118 0.1767 0.6590 0.2199 0.0625 0.1815 0.3394 0.5284 0.1716 0.1829 0.7494 0.6460 0.4035 0.5239 0.3215 0.1146 0.2011 0.2407 0.6984 0.2396 0.7493 0.4987 0.5724 0.7234 0.6633 0.2850 0.4599 0.3241 0.4832 0.4046 0.3247 0.3746 0.3099 0.5588 0.2229 0.2947 0.0910 0.6285 0.0511 0.6474 0.6916 0.3312 0.3572 0.1566 0.7488 0.7315 0.2721 0.7336 0.3790 0.1473 0.3285 0.1237 0.2904 0.5528 0.1846 0.1665 0.1777 0.2748
0.8496 0.8540 0.8570 0.8410 0.8469 0.8523 0.8566 0.8561 0.8529 0.8571 0.6893 0.8326 0.8567 0.8543 0.8096 0.8557 0.8241 0.7001 0.5791 0.8185 0.2829 0.8298 0.8550 0.7304 0.8046 0.8535 0.7093 0.8135 0.8412 0.8429 0.8088 0.3313 0.7967 0.6695 0.7856 0.8164 0.2012 0.8568 0.4122 0.8474 0.8035 0.5149 0.7777 0.1651 0.6193 0.6872 0.7248 0.7434 0.3792 0.7846 0.7027 0.1706 0.8551 0.6204 0.4900 0.8340 0.6469 0.7574 0.5996 0.1911 0.3869 0.3209 0.8312 0.1294 0.1919 0.5168 0.5687 0.4069 0.8505 0.7279 0.5904 0.4357 0.8570 0.7103 0.5553 0.3826 0.5558 0.3180 0.4913 0.4277 0.8539 0.6344 0.5396 0.7714 0.7546 0.8371 0.7497 0.8538 0.4913 0.8483 0.3306 0.7185 0.5177 0.2363 0.6886 0.2626 0.4809 0.4736 0.2012 0.3003 0.7944 0.3605 0.1176 0.3072 0.5068 0.6914 0.2929 0.3092 0.8568 0.7849 0.5750 0.6876 0.4865 0.2056 0.3349 0.3880 0.8224 0.3866 0.8567 0.6655 0.7281 0.8395 0.7976 0.4436 0.6300 0.4895 0.6515 0.5761 0.4903 0.5451 0.4731 0.7170 0.3646 0.4552 0.1669 0.7719 0.0972 0.7860 0.8177 0.4976 0.5264 0.2708 0.8564 0.8449 0.4278 0.8463 0.5497 0.2568 0.4946 0.2202 0.4501 0.7120 0.3117 0.2855 0.3018 0.4311
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
6 6 6 8 6 6 6 6 6 6 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 6 6 6 6 6 6 8 8 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 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783
8464.9506 26514.4761 30739.4814
1.00000 -0.00011 0.00291 0.00010 1.00000 0.00162 -0.00291 -0.00162 0.99999
1
0.01023 0.00327 0.00282
0.21320 0.06807 0.05871
20.78 26.34 35.90 44.83 60.10 66.29 86.23 98.43 106.93 133.58 156.71 174.69 180.45 193.42 197.56 231.18 267.68 279.74 306.81 325.00 365.09 395.39 422.33 448.63 486.80 523.46 538.60 549.51 592.23 626.44 635.28 656.73 672.71 686.53 745.40 762.36 767.77 782.74 785.54 817.00 820.44 858.24 886.94 912.56 960.48 990.03 999.46 1010.72 1047.06 1107.24 1134.87 1172.18 1175.74 1226.76 1234.54 1256.84 1268.26 1286.02 1291.35 1307.78 1317.05 1322.70 1369.02 1372.11 1374.28 1386.61 1423.23 1466.76 1477.54 1540.65 1545.62 1548.71 1556.87 1568.38 1578.87 1579.56 1589.61 1596.98 1603.15 1605.67 1633.84 1653.91 1683.86 1706.27 1723.39 1732.43 1754.55 1756.97 1799.81 1833.57 1844.58 1854.85 1870.79 1871.70 1878.70 1895.08 1942.33 1945.54 1955.16 1994.43 2007.29 2011.71 2038.59 2060.97 2062.36 2105.88 2109.65 2124.19 2176.27 2182.83 2204.88 2211.20 2222.87 2234.89 2262.61 2268.18 2307.77 2312.75 2314.46 2342.89 2350.38 2398.65 2400.51 2425.39 2435.37 2520.86 2563.92 2586.94 2595.79 2610.32 2643.29 2696.75 2712.18 2818.64 4591.10 4632.56 4652.78 4663.67 4698.73 4728.13 4739.36 4783.54 4797.38 4804.65 4821.36 4824.35 4836.08 4848.50 4851.89 4867.93 4877.90 4897.12 4917.16 4967.25 4969.08 5894.34
0.458146
0.484579
0.485523
0.396996
-1425.709192
-1425.682759
-1425.681815
-1425.770342
2.969210D-04
MUNgauss
RevisionA2.1
retrievium
26-May-2021
DUDE C=CCOc1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3cccc4c3cccc4)CCO)[O-] C40099548
RHF
6-31G(d)
(6D,10F)
C1
428.149798
|X|Y|Z|
59.679234 36.423339 115.805011
63.140805
22
|36.858105|
|14.459816|36.858105|
|7.635268|12.699477|36.858105|
|5.492589|8.134376|13.616988|73.516695|
|4.041858|5.245671|7.996562|24.928447|36.858105|
|3.305842|4.092055|5.253310|14.529116|13.680702|36.858105|
|2.709309|3.206978|3.989937|9.408313|7.955238|13.848293|36.858105|
|2.559578|2.973381|3.774714|8.147578|6.801881|7.865522|13.620262|36.858105|
|2.865812|3.348937|4.510079|9.212078|7.931255|6.889997|7.997446|13.766183|36.858105|
|3.618454|4.424901|6.725713|13.960299|13.781691|7.942070|6.903688|7.870806|13.677475|36.858105|
|2.129221|2.407144|2.911149|5.983618|4.423364|5.055396|7.679897|12.618733|7.415779|4.963104|36.858105|
|1.978983|2.233164|2.626200|5.447232|3.874430|4.674687|7.029181|8.190135|5.298980|4.032783|15.554152|73.516695|
|1.955457|2.166211|2.592260|5.091312|3.593743|3.807288|5.004297|7.322043|6.064932|4.207172|13.294685|14.732771|36.858105|
|1.975863|2.158036|2.594043|4.930386|3.410606|3.406868|4.144767|5.823172|5.822080|4.165615|7.305906|9.288214|13.561829|36.858105|
|1.711403|1.840986|2.149881|4.028087|2.674588|2.693902|3.178138|4.040536|3.965232|3.120673|5.059823|7.446876|8.110906|12.372392|36.858105|
|1.633201|1.735564|2.006972|3.692913|2.398460|2.374480|2.710125|3.325922|3.383589|2.786075|3.880306|5.901305|5.423422|7.745999|15.849206|73.516695|
|1.602798|1.730668|1.997439|3.794306|2.510721|2.606658|3.132735|3.867687|3.566123|2.835981|5.213190|8.277600|8.172415|8.155790|14.100952|14.931477|53.358707|
|1.695996|1.857720|2.158979|4.196350|2.838081|3.041869|3.838791|4.842006|4.120477|3.169960|7.627555|12.494744|12.540070|7.939853|8.111530|9.671125|17.737507|36.858105|
|1.645803|1.798357|2.068336|4.063542|2.726656|2.999902|3.811603|4.534030|3.723469|2.949272|6.994687|13.192571|8.835209|6.075779|6.190871|8.110333|12.505860|17.653319|0.500000|
|1.609403|1.768823|2.035057|3.928957|2.615695|2.791268|3.434185|4.151756|3.626901|2.887816|5.933120|10.756734|7.394883|5.435827|5.583802|7.614198|10.506315|12.370958|0.246336|36.858105|
|1.601742|1.756888|2.023653|3.829907|2.523916|2.605770|3.094859|3.768062|3.525830|2.845858|4.872854|8.224932|6.076557|5.164360|5.390033|7.742552|8.844237|7.635341|0.157081|13.952522|36.858105|
|1.500302|1.642241|1.864323|3.499946|2.257827|2.322058|2.680269|3.117862|2.962855|2.497915|3.766657|6.630118|4.256670|3.770263|3.904785|6.039678|6.099143|4.988452|0.115841|7.842769|13.521194|36.858105|
|1.420283|1.554522|1.743462|3.300430|2.109420|2.209791|2.545517|2.852883|2.643544|2.271862|3.430300|6.390446|3.667593|3.170325|3.257175|5.084410|5.191704|4.373007|0.109150|6.755439|7.942120|14.031296|36.858105|
|1.423527|1.560778|1.747821|3.359823|2.159725|2.319996|2.726469|3.005979|2.678033|2.287699|3.744910|7.414628|3.893481|3.213072|3.278367|5.015429|5.446868|4.890824|0.129499|7.751693|6.864317|7.930330|13.459175|36.858105|
|1.511816|1.661307|1.880820|3.656828|2.395149|2.610476|3.177215|3.586649|3.079767|2.551942|4.842337|9.934908|5.146115|3.953962|4.013930|5.860584|7.116519|7.280551|0.197080|13.292634|7.921902|6.803060|7.774595|13.451299|36.858105|
|1.487347|1.631896|1.832477|3.608473|2.352668|2.633276|3.229980|3.481346|2.899237|2.440140|4.660829|10.469777|4.616770|3.549251|3.552090|5.258942|6.187576|6.213338|0.203820|7.565851|5.100768|4.508705|5.102505|7.838648|13.347902|36.858105|
|1.387398|1.517103|1.678403|3.296444|2.107216|2.359770|2.805971|2.905619|2.469215|2.145193|3.616470|7.928037|3.493245|2.835272|2.842337|4.366959|4.719477|4.308441|0.135847|5.075048|3.941613|3.788725|4.530223|6.828257|7.842946|14.033365|36.858105|
|1.316412|1.437094|1.579283|3.067970|1.937536|2.133243|2.473916|2.564266|2.243349|1.977553|3.077010|6.435183|3.009604|2.520536|2.543342|3.985101|4.125019|3.606207|0.106474|4.475449|3.787287|3.951738|5.140384|7.875276|6.745301|7.904353|13.457655|36.858105|
|1.332118|1.455960|1.607938|3.095634|1.959249|2.121504|2.450397|2.600718|2.317021|2.031146|3.119729|6.306051|3.126191|2.637989|2.678221|4.198361|4.334462|3.758171|0.105079|5.066716|4.537714|5.146263|7.730971|13.387515|7.760574|6.854799|7.952444|14.057569|36.858105|
|1.429418|1.529846|1.734854|3.267268|2.111130|2.189959|2.561946|3.008936|2.808772|2.334704|3.816842|6.465658|5.092699|5.103415|7.780352|11.986526|17.935806|7.411572|0.184649|6.169445|5.490177|4.216162|3.725854|3.901617|4.817946|4.262561|3.397046|3.030587|3.184950|36.858105|
|1.366606|1.449792|1.629527|3.065759|1.958436|2.036406|2.350602|2.687288|2.511685|2.134921|3.286571|5.632679|4.130911|4.256366|6.017956|10.399137|10.525025|5.325884|0.150531|4.325034|3.841833|3.162288|2.917567|3.103744|3.724087|3.599491|3.006109|2.655281|2.687913|12.505004|36.858105|
|1.387849|1.475318|1.654334|3.153026|2.019271|2.140919|2.497851|2.801375|2.541525|2.163881|3.464969|6.124198|4.172745|4.058215|5.111870|8.267711|8.914224|5.354222|0.171332|4.173015|3.499786|2.902574|2.763171|3.057726|3.770539|3.926418|3.274154|2.778760|2.711290|7.835763|13.566513|73.516695|
|2.159424|2.347614|2.872051|5.340168|3.688398|3.498768|4.051344|5.619135|6.498026|4.739995|5.839168|7.632082|7.858167|15.632200|7.983973|11.826788|7.485506|5.278770|0.123032|4.103324|4.086665|3.201523|2.723332|2.713848|3.195160|2.921685|2.423261|2.191214|2.287429|3.979107|3.522278|5.982911|73.516695|
|17.709724|9.102803|5.478573|7.815567|3.378106|2.889011|2.408960|2.265269|2.484492|3.032210|1.920653|3.212146|1.770173|1.780680|1.562232|2.658858|2.005599|1.556151|0.042130|1.485838|1.478177|1.394745|1.328633|1.332530|1.406974|1.388873|1.305357|1.243550|1.255693|1.325509|1.271448|2.297507|3.423492|0.500000|
|17.690276|9.087916|6.914193|8.827640|3.872483|3.146376|2.633621|2.540787|2.885861|3.621008|2.123061|3.473110|1.976145|2.028271|1.758060|3.004023|2.219319|1.708250|0.045931|1.607714|1.603258|1.493637|1.405803|1.406250|1.498910|1.471233|1.366163|1.293353|1.310452|1.452973|1.394595|2.510385|3.993562|0.289137|0.500000|
|9.154274|17.679006|8.708549|13.070362|4.887193|4.040796|3.154034|2.860112|3.127868|4.005005|2.338135|3.921599|2.083648|2.043161|1.754385|2.927871|2.271444|1.805620|0.048756|1.738166|1.722582|1.623717|1.550228|1.560301|1.650651|1.627148|1.524213|1.449622|1.465711|1.482002|1.401282|2.541771|3.885466|0.218125|0.173440|0.500000|
|6.096174|8.943586|17.515191|16.577763|7.153956|4.818088|3.843214|3.772643|4.643754|6.872286|2.935584|4.683030|2.636476|2.641756|2.188381|3.631110|2.763381|2.195748|0.057735|2.100723|2.121140|1.967367|1.827817|1.811220|1.932931|1.857605|1.698754|1.611707|1.657486|1.762120|1.636765|2.927103|5.196933|0.130969|0.155906|0.203894|0.500000|
|7.224427|8.905811|17.552050|16.486303|7.042298|4.760517|3.798313|3.731041|4.587163|6.759175|2.901088|4.577982|2.640098|2.711898|2.240429|3.750606|2.789584|2.183221|0.057957|2.026752|2.017127|1.841365|1.709304|1.711502|1.853252|1.803366|1.642250|1.539069|1.567187|1.775255|1.677963|3.020405|5.474926|0.142659|0.215902|0.172447|0.301119|0.500000|
|3.322821|4.109648|4.865387|13.451498|8.944642|17.720913|8.891333|5.600274|4.961223|5.661565|4.120857|7.173738|3.212856|2.889814|2.368265|3.756353|3.159460|2.682543|0.074744|2.495988|2.324837|2.107821|2.038401|2.152756|2.392304|2.454270|2.248906|2.040994|2.007167|1.991355|1.872544|3.522137|5.226652|0.082209|0.085966|0.117095|0.120854|0.119738|0.500000|
|2.417379|2.809580|3.331838|7.599543|5.654257|8.957090|17.764090|8.954261|5.689453|4.971799|7.263201|14.341932|4.732286|3.789174|3.032505|4.587357|4.215058|3.873923|0.111519|3.491432|3.046054|2.657244|2.585839|2.849063|3.357496|3.563279|3.119309|2.689995|2.602476|2.570783|2.375309|4.577277|6.341640|0.060806|0.065067|0.078002|0.089141|0.088166|0.213836|0.500000|
|2.635500|2.997042|3.920765|7.454283|5.667645|4.969237|5.671568|8.945472|17.815800|8.965475|6.791134|8.527529|6.653981|7.265785|4.646412|7.037463|5.390107|4.399977|0.105894|3.837990|3.870044|3.182737|2.752976|2.730208|3.134184|2.868775|2.421553|2.217261|2.323245|3.058550|2.690823|4.720847|15.968272|0.063935|0.074833|0.077340|0.114648|0.113837|0.107809|0.124789|0.500000|
|3.916307|4.707020|7.445556|12.452476|8.872765|5.632368|4.971020|5.639434|8.954584|17.751703|4.058928|5.977136|3.685557|3.834894|2.955876|4.817462|3.594901|2.859273|0.073347|2.635090|2.660636|2.365072|2.134881|2.115373|2.323616|2.200407|1.950005|1.819366|1.882070|2.205302|2.023079|3.595878|8.047614|0.089500|0.111684|0.113770|0.228582|0.225909|0.124101|0.107898|0.218501|0.500000|
|1.662310|1.817723|2.112493|3.949205|2.609587|2.630475|3.088405|3.868551|3.793230|3.025334|4.838335|7.616279|6.476327|6.165815|6.530834|9.347301|9.532377|7.187200|0.143575|9.034200|17.727995|8.889210|5.672686|4.948617|5.631167|4.125394|3.284091|3.130700|3.613097|5.570243|3.904736|6.140935|8.642240|0.042403|0.046545|0.049057|0.061771|0.059104|0.064518|0.082286|0.121256|0.079745|0.500000|
|1.479922|1.613770|1.826582|3.380523|2.156986|2.177742|2.459609|2.848817|2.798129|2.402588|3.295957|5.671919|3.707064|3.460112|3.585997|5.758080|5.301797|4.100800|0.096371|5.622810|8.855136|17.698721|8.995949|5.627784|4.914538|3.593440|3.132944|3.295390|4.160527|3.714196|2.865246|4.615618|5.410807|0.038260|0.040997|0.044250|0.053964|0.050186|0.055016|0.066834|0.084492|0.064307|0.215864|0.500000|
|1.348640|1.471337|1.634138|3.072630|1.936478|2.016853|2.278193|2.504710|2.353501|2.067901|2.907788|5.405639|3.051523|2.709425|2.777934|4.448668|4.302143|3.506643|0.089578|4.888793|5.630300|8.975979|17.691957|8.840620|5.570896|4.156340|3.954396|4.731214|7.119944|3.147268|2.553970|4.306317|4.245343|0.035219|0.036999|0.040922|0.047697|0.044363|0.052201|0.064222|0.067726|0.054461|0.124358|0.215402|0.500000|
|1.546629|1.696541|1.913853|3.802115|2.501943|2.840429|3.563227|3.836476|3.105197|2.585795|5.332933|12.529905|5.193644|3.879890|3.822452|5.567190|6.692344|6.999871|0.270479|6.917001|4.644128|3.910873|4.138996|5.601759|8.807992|17.818822|9.083634|5.645785|4.952427|4.427155|3.873628|7.934543|5.610157|0.039994|0.042613|0.046783|0.053382|0.052599|0.073260|0.111285|0.084540|0.064115|0.109923|0.089231|0.095748|0.500000|
|1.360826|1.483813|1.630184|3.215241|2.040314|2.306053|2.720433|2.746223|2.327333|2.048111|3.337923|7.332740|3.168699|2.611814|2.604528|4.045671|4.241744|3.775906|0.122017|4.119452|3.287272|3.132872|3.607564|4.928166|5.599195|9.031641|17.706359|8.820874|5.663701|3.061264|2.823612|5.619714|4.024424|0.035674|0.037187|0.041484|0.045467|0.044316|0.061879|0.085350|0.062776|0.051655|0.078789|0.074113|0.090080|0.219424|0.500000|
|1.248261|1.358015|1.478297|2.864424|1.787492|1.964874|2.239734|2.282811|2.017059|1.807181|2.662349|5.495673|2.585795|2.211419|2.228790|3.546810|3.539585|3.008680|0.088818|3.572133|3.132734|3.297048|4.161375|5.604397|4.883920|5.640615|8.806570|17.696910|9.004659|2.622663|2.358945|4.399728|3.474558|0.032917|0.033998|0.038193|0.041812|0.039943|0.052838|0.067680|0.055149|0.046409|0.074087|0.079118|0.112209|0.124473|0.213188|0.500000|
|1.272830|1.387255|1.521585|2.905707|1.818754|1.948581|2.208644|2.329906|2.116248|1.882816|2.712875|5.352137|2.722092|2.358807|2.397965|3.828141|3.784592|3.170629|0.087357|4.132593|3.962551|4.739203|7.141651|8.841014|5.570942|4.940446|5.635020|9.001690|17.689128|2.808084|2.400258|4.248428|3.700488|0.033452|0.034737|0.038893|0.043736|0.041116|0.051489|0.064497|0.059100|0.048918|0.090290|0.112213|0.218138|0.107483|0.124119|0.216133|0.500000|
|1.383425|1.485507|1.675173|3.173369|2.044963|2.147356|2.521715|2.908898|2.664575|2.230172|3.729209|6.617238|4.717543|4.366517|5.776572|8.813629|12.602245|7.279637|0.193092|7.034653|5.857261|4.639124|4.289072|4.685323|5.900452|5.139257|4.030269|3.579307|3.774450|17.604468|8.895787|12.574393|6.147871|0.035765|0.038822|0.040258|0.047330|0.047181|0.054648|0.071438|0.079068|0.058154|0.149764|0.109275|0.098942|0.142426|0.098412|0.084407|0.090535|0.500000|
|1.391904|1.484119|1.679138|3.124070|2.001687|2.043960|2.349660|2.757009|2.650601|2.230365|3.370198|5.630785|4.412326|4.668287|7.138651|12.581685|12.464915|5.764110|0.138745|5.341402|5.387647|4.302659|3.679948|3.643408|4.213540|3.620412|2.990032|2.769705|2.981151|17.552302|8.895704|10.111025|6.762992|0.035893|0.039387|0.039879|0.047685|0.047811|0.051677|0.064693|0.081346|0.059397|0.160016|0.109536|0.087792|0.101199|0.074786|0.067359|0.074807|0.301350|0.500000|
|1.268632|1.340851|1.493590|2.797418|1.767187|1.834767|2.091056|2.348695|2.208762|1.909870|2.811873|4.904820|3.397995|3.460229|4.603646|8.250419|7.654106|4.278476|0.121553|3.773891|3.439698|2.960972|2.787123|2.949046|3.407067|3.310018|2.863857|2.581368|2.611153|8.883685|17.565120|16.919905|5.259113|0.032949|0.035906|0.036119|0.041728|0.042586|0.047301|0.058932|0.065288|0.050576|0.095578|0.075325|0.068929|0.096248|0.075088|0.064456|0.065539|0.216128|0.214164|0.500000|
|1.391662|1.468634|1.653641|3.086662|1.965892|2.017635|2.303240|2.647856|2.529960|2.161428|3.150631|5.252029|3.980682|4.393722|6.421975|12.481552|9.428779|4.710715|0.128631|3.785330|3.497546|2.892502|2.626558|2.731245|3.213901|3.085553|2.612766|2.336744|2.377066|8.877111|17.567577|16.464446|6.674000|0.035894|0.039697|0.039187|0.046054|0.047718|0.051382|0.063754|0.076170|0.057428|0.102586|0.074457|0.064571|0.092326|0.068708|0.058261|0.059735|0.174351|0.215919|0.301186|0.500000|
|1.487474|1.587049|1.794122|3.443024|2.230235|2.377180|2.814759|3.198068|2.861885|2.399975|4.035428|7.017094|4.953758|4.778444|5.873044|8.995771|10.122161|6.234181|0.206892|4.438902|3.647337|2.951767|2.779165|3.081624|3.892541|4.073353|3.312659|2.771567|2.702730|7.335487|9.917211|35.715441|6.882433|0.038299|0.042086|0.042594|0.049422|0.051329|0.060590|0.080481|0.082898|0.061755|0.101079|0.073078|0.067183|0.133599|0.088906|0.068207|0.065835|0.177853|0.148099|0.189713|0.229779|0.500000|
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