Version2.1
2021-01-06T17:49:10Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
10-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CC(C)Oc1ccccc1[C@H]2C3=C(C[C@H](CC3=O)c4ccc(cc4)Cl)Nc5ccccc5N2 C04065163
RHF
6-31G(d)
(6D,7F)
CC(C)Oc1ccccc1[C@H]2C3=C(C[C@H](CC3=O)c4ccc(cc4)Cl)Nc5ccccc5N2
C01[X(C28H27Cl1N2O2)]
174
C1
553
CC(Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](C2)c1ccc(cc1)Cl)C
CC(Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](C2)c1ccc(cc1)Cl)C
CC(C)Oc1ccccc1[C@@H]2Nc3ccccc3NC4=C2C(=O)C[C@@H](C4)c5ccc(Cl)cc5
InChIKey=ORNLUXKJFDLMNT-GDJIYFAZSA-N
InChI=1S/C28H27ClN2O2/c1-17(2)33-26-10-6-3-7-21(26)28-27-24(30-22-8-4-5-9-23(22)31-28)15-19(16-25(27)32)18-11-13-20(29)14-12-18/h3-14,17,19,28,30-31H,15-16H2,1-2H3/t19-,28+/m1/s1
InChI=1/C28H27ClN2O2/c1-17(2)33-26-10-6-3-7-21(26)28-27-24(30-22-8-4-5-9-23(22)31-28)15-19(16-25(27)32)18-11-13-20(29)14-12-18/h3-14,17,19,28,30-31H,15-16H2,1-2H3/t19-,28+/m1/s1
CC(C)Oc1ccccc1[C@H]2C3=C(C[C@H](CC3=O)c4ccc(cc4)Cl)Nc5ccccc5N2
C01[X(C28H27Cl1N2O2)]
174
C01
553
CC(Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](C2)c1ccc(cc1)Cl)C
CC(O[C]1[CH][CH][CH][CH][C]1[C@@H]1N[C]2[CH][CH][CH][CH][C]2NC2=C1C(=O)C[C@@H](C2)[C]1[CH][CH][C]([CH][CH]1)Cl)C
CC(C)O[C]1[CH][CH][CH][CH][C]1[C@@H]2N[C]3[CH][CH][CH][CH][C]3NC4=C2C(=O)C[C@@H](C4)[C]5[CH][CH][C](Cl)[CH][CH]5
InChIKey=ORNLUXKJFDLMNT-GDJIYFAZSA-N
InChI=1S/C28H27ClN2O2/c1-17(2)33-26-10-6-3-7-21(26)28-27-24(30-22-8-4-5-9-23(22)31-28)15-19(16-25(27)32)18-11-13-20(29)14-12-18/h3-14,17,19,28,30-31H,15-16H2,1-2H3/t19-,28+/m1/s1
InChI=1/C28H27ClN2O2/c1-17(2)33-26-10-6-3-7-21(26)28-27-24(30-22-8-4-5-9-23(22)31-28)15-19(16-25(27)32)18-11-13-20(29)14-12-18/h3-14,17,19,28,30-31H,15-16H2,1-2H3/t19-,28+/m1/s1
3421.2348776653
-1794.1433528
1-A
20262.4016
121
432
553
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10.51303
0.7483 2.5611 0.7556
2.7731
|XX|YY|ZZ|XY|XZ|YZ|
-203.8985 -200.5830 -193.5207 -9.4530 1.2235 3.6273
|XX|YY|ZZ|XY|XZ|YZ|
-4.5644 -1.2490 5.8134 -9.4530 1.2235 3.6273
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
324.1026 46.8566 19.7368 36.6140 -37.4529 -5.8684 -30.8054 -22.7627 2.0237 0.8685
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-22389.5151 -4547.1790 -1856.4733 -259.7360 5.1864 -67.6365 92.0827 50.9954 40.0160 -4154.9191 -3544.5394 -1195.2705 9.5466 -10.6973 -50.8005
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20.2518 23.3641 25.6452 27.9509 37.1054 46.0640 50.5254 72.4363 85.7196 94.4459 102.1744 115.3270 141.4029 152.3598 168.8989 189.0796 211.1855 230.5542 246.2600 253.0505 287.9457 292.0929 315.2902 320.5713 338.1919 347.6643 363.9633 372.8112 407.9337 426.3387 444.7614 458.9545 459.8789 475.4841 484.6964 493.0445 508.0359 521.5439 523.5508 541.3910 576.8316 578.8508 593.6080 614.5875 621.1505 634.7856 658.8119 665.0267 676.1032 697.6152 716.6811 725.8179 734.0611 777.0512 792.8373 807.8148 815.8091 823.0496 832.8725 848.5382 851.9194 886.6927 907.8917 914.5362 928.9702 943.8334 945.8468 950.1319 969.1050 970.3769 990.5942 996.2458 1012.8832 1023.7624 1029.1174 1050.9148 1067.0068 1076.4046 1081.0610 1087.2491 1096.1358 1100.8977 1108.0108 1110.5696 1145.9691 1149.4397 1165.2636 1170.1195 1193.9210 1199.3380 1208.6067 1211.5960 1216.0682 1221.7708 1236.2089 1247.0429 1250.0428 1259.9676 1273.1876 1279.1948 1293.5007 1305.5482 1310.3326 1311.6397 1323.2375 1325.0141 1341.9769 1371.0110 1374.6911 1390.3221 1403.8326 1418.2289 1421.4953 1431.6425 1433.5790 1457.5585 1491.2586 1492.8677 1504.9882 1517.9977 1529.0896 1531.0271 1554.9488 1565.2912 1577.5459 1585.4157 1596.3793 1612.5902 1619.9650 1628.0672 1630.4978 1630.7460 1641.6593 1651.5080 1657.9416 1671.7876 1675.4774 1690.6462 1716.4043 1769.8038 1781.8011 1792.5444 1806.7657 1807.8917 1812.5730 1831.5181 1936.4738 3202.5972 3206.5754 3207.6927 3213.9093 3215.3159 3239.5231 3246.7257 3269.3603 3281.3654 3285.0875 3288.8800 3301.3802 3334.0900 3342.3553 3356.9785 3357.0676 3365.1202 3369.0904 3372.6449 3372.7894 3386.2352 3389.5055 3395.4483 3400.4151 3401.4133 3814.8079 3878.4992
3.3129 6.1452 3.9599 4.2833 5.6796 5.5815 4.8642 3.9445 5.2789 5.4255 4.1631 3.2640 6.3340 4.8585 5.4786 4.5274 5.6354 4.2497 4.2785 1.0923 1.8616 1.9348 3.9774 4.9721 3.4231 4.9339 3.6615 4.0079 4.1937 4.8437 3.0676 3.9015 2.9674 2.7058 1.9807 2.5522 3.4233 3.6109 3.0976 4.2703 3.6829 3.5125 4.1989 3.8653 4.1130 3.6010 5.7300 5.1177 3.9892 6.8606 5.3680 4.4932 3.7542 5.1913 4.7719 3.5481 3.4549 2.7694 2.8849 1.5886 1.4759 2.5418 3.2175 3.3776 3.4515 1.5901 1.3575 2.2006 1.6448 1.5923 2.3317 2.1580 1.1540 2.7755 1.5211 1.3880 2.2337 1.6568 4.2211 1.4416 1.3018 1.3568 1.3150 3.7151 2.7876 2.2034 2.3988 3.8442 2.2994 2.8517 3.0476 2.7503 2.7970 2.8939 1.7665 2.0486 1.9085 2.3224 2.1255 1.2828 2.0560 2.0725 1.2552 1.8697 1.7433 1.8186 2.3970 2.4928 3.0825 1.3664 1.6223 1.7350 1.3254 2.3018 2.0121 1.5798 1.4084 1.4310 1.3484 1.4674 1.3650 1.3588 2.0985 1.4013 1.2662 1.8532 1.7892 1.1148 2.2196 1.0494 1.1097 1.0603 1.0571 1.0863 2.1474 2.0719 2.2876 2.1864 2.2319 6.0873 5.6828 5.2067 5.7816 5.4370 4.8121 3.1933 11.7409 1.0782 1.0624 1.0374 1.0378 1.0762 1.0868 1.1030 1.1029 1.1027 1.1027 1.0960 1.1021 1.0849 1.0895 1.0885 1.0877 1.0907 1.0900 1.0932 1.0921 1.0951 1.0986 1.0953 1.0951 1.0955 1.0753 1.0770
0.0008 0.0020 0.0015 0.0020 0.0046 0.0070 0.0073 0.0122 0.0229 0.0285 0.0256 0.0256 0.0746 0.0665 0.0921 0.0954 0.1481 0.1331 0.1529 0.0412 0.0909 0.0973 0.2330 0.3011 0.2307 0.3514 0.2858 0.3282 0.4112 0.5187 0.3575 0.4842 0.3698 0.3604 0.2742 0.3655 0.5206 0.5787 0.5003 0.7374 0.7220 0.6934 0.8717 0.8602 0.9350 0.8549 1.4653 1.3335 1.0744 1.9672 1.6245 1.3946 1.1919 1.8468 1.7673 1.3642 1.3547 1.1053 1.1791 0.6739 0.6311 1.1774 1.5626 1.6644 1.7549 0.8346 0.7155 1.1705 0.9101 0.8834 1.3481 1.2619 0.6975 1.7139 0.9492 0.9032 1.4983 1.1310 2.9065 1.0041 0.9215 0.9689 0.9512 2.6997 2.1569 1.7152 1.9191 3.1011 1.9312 2.4168 2.6229 2.3787 2.4370 2.5451 1.5905 1.8770 1.7571 2.1722 2.0300 1.2368 2.0268 2.0813 1.2698 1.8952 1.7985 1.8812 2.5433 2.7607 3.4322 1.5562 1.8838 2.0561 1.5779 2.7796 2.4364 1.9775 1.8454 1.8791 1.7995 1.9922 1.8804 1.8766 2.9895 2.0229 1.8566 2.7445 2.6865 1.7081 3.4319 1.6388 1.7382 1.6613 1.6786 1.7457 3.4778 3.4118 3.7836 3.6819 3.8740 11.2338 10.6299 9.8571 11.1200 10.4702 9.3148 6.3112 25.9403 6.5158 6.4363 6.2887 6.3160 6.5550 6.7196 6.8504 6.9457 6.9953 7.0114 6.9847 7.0775 7.1055 7.1709 7.2276 7.2224 7.2772 7.2898 7.3265 7.3198 7.3987 7.4363 7.4399 7.4606 7.4676 9.2203 9.5453
0.0046 0.1322 0.2324 0.3961 0.6299 0.5431 0.4293 1.2222 1.4342 3.3600 0.6435 1.3922 0.4574 0.8097 0.5067 0.3390 2.6731 1.0764 0.9875 0.2112 2.3917 1.0371 3.2586 0.3618 2.7786 0.6382 2.7778 1.3698 11.3487 5.4327 5.1227 6.9677 0.0066 8.3848 43.5799 22.1131 14.9709 8.6869 3.3258 8.5665 18.0838 7.3305 13.8082 3.6260 3.2039 10.2221 1.5354 2.4824 10.3412 0.3632 10.6128 9.7127 4.5958 14.7682 2.9680 2.3354 6.5006 7.9113 6.0564 36.8652 93.3439 20.1028 0.5273 32.2451 18.9111 38.9587 10.1691 14.9706 1.5989 6.9074 51.1751 15.6424 0.7022 1.5919 0.1990 6.4586 53.1758 27.3381 23.2251 0.9589 0.3340 0.0110 0.4414 30.6329 2.5208 6.9624 19.0920 16.6971 9.6220 15.9229 65.0092 4.6216 3.9993 15.9997 19.0498 1.5094 33.4978 0.8980 121.4219 31.6945 8.3931 10.4046 3.5060 5.8852 14.2354 4.1193 19.1758 32.0497 173.5305 14.1532 57.0318 59.4081 0.9829 375.7376 2.9308 3.3044 22.9365 24.6187 5.1764 2.6489 76.7911 15.4592 127.6756 19.5120 20.5686 21.1940 47.2362 1.2338 29.3918 4.6081 6.9566 2.8321 6.0775 18.8518 71.9846 246.9973 76.5102 76.1547 544.3818 0.2614 24.8332 62.9006 20.2018 3.1778 20.9166 145.5994 357.5301 0.6911 23.7812 16.3320 29.9208 30.2379 7.7611 27.0796 6.2143 82.7405 53.0779 13.9896 22.9696 3.6638 16.1094 1.8269 2.2267 12.7335 15.0771 17.0612 32.2410 38.1449 33.5158 13.5760 9.7422 0.8008 19.7539 43.8307
0.3031 0.7547 0.8329 4.6305 3.7693 7.9465 6.0858 0.6451 1.0493 1.3489 2.2560 3.1810 1.0123 3.7257 2.8517 2.2349 1.2138 1.9061 2.9419 0.2379 1.2034 1.2528 2.8066 3.0148 1.1936 1.2562 1.5888 1.0904 0.6439 1.1320 3.3135 1.4337 0.0628 2.1062 3.1037 1.6005 2.1127 1.3135 1.0065 4.3043 3.1459 2.1987 6.1533 1.1561 2.2399 1.3029 1.0808 1.8296 1.3583 6.4141 14.9379 2.7304 4.0099 6.3153 5.1022 1.5686 14.0227 0.4275 1.0905 3.1067 3.5619 6.5814 13.8178 13.0931 8.6125 0.8736 2.1342 2.6443 2.4899 2.6330 0.6776 3.8719 0.6706 4.6433 6.1461 0.9594 8.8975 5.5337 21.3093 2.4634 0.1092 0.0662 0.7201 0.6933 4.0170 13.2032 16.7995 4.3266 2.2416 6.6442 16.4117 15.3854 26.0345 4.1021 1.0044 3.2655 7.7783 5.3336 4.8914 2.9455 1.5612 5.4747 3.6432 4.3011 4.3313 8.8206 10.2375 73.6701 7.2897 4.8579 1.7101 5.9180 10.3032 3.7992 45.4681 14.2923 8.1682 4.0084 5.9609 16.1658 11.5609 6.9101 3.8920 0.9738 4.0803 2.7317 10.3651 18.6417 1.3023 29.0690 11.2523 3.5740 25.1838 2.3468 4.6623 18.2505 0.5016 2.0661 35.6540 4.4574 8.0307 70.9136 28.8383 71.1226 97.5386 54.4464 58.8296 111.7025 52.2939 5.1990 225.5814 33.8620 76.0600 34.5639 12.7291 138.5723 43.2151 78.8223 43.2898 52.5640 49.1606 38.5850 83.0812 49.1724 45.9796 62.7945 104.5230 87.9221 266.7197 167.1763 41.4274 184.1896 50.1114 79.4834
0.7460 0.7479 0.7023 0.7499 0.7494 0.6957 0.7412 0.6917 0.4344 0.6710 0.7421 0.7027 0.6813 0.7404 0.2394 0.7080 0.6675 0.6089 0.4495 0.7490 0.7484 0.3907 0.7263 0.4659 0.6479 0.6544 0.6423 0.1085 0.5876 0.6214 0.0857 0.5898 0.7398 0.1196 0.3974 0.7499 0.4732 0.4567 0.7478 0.2383 0.6683 0.3093 0.1072 0.2805 0.4888 0.6965 0.7225 0.7381 0.4880 0.7344 0.1807 0.7076 0.7272 0.2370 0.1848 0.0597 0.1243 0.5382 0.2371 0.7400 0.1185 0.1322 0.1570 0.1251 0.2771 0.7244 0.7492 0.4355 0.6412 0.7134 0.6344 0.6743 0.7312 0.7271 0.7498 0.5474 0.6901 0.7231 0.2184 0.3061 0.7431 0.2974 0.2257 0.0825 0.2404 0.1412 0.1575 0.4247 0.1394 0.5617 0.0930 0.4450 0.3709 0.5709 0.6310 0.4440 0.5929 0.0961 0.1556 0.3592 0.7132 0.5427 0.5726 0.3648 0.4054 0.1175 0.1648 0.2035 0.5340 0.7437 0.3235 0.1789 0.5285 0.2490 0.2617 0.1959 0.3209 0.5173 0.5634 0.5281 0.6325 0.6810 0.5608 0.7499 0.7491 0.2468 0.3458 0.7496 0.5872 0.7163 0.7444 0.7497 0.7168 0.7458 0.5301 0.2339 0.6469 0.2029 0.4196 0.6999 0.6220 0.4233 0.7429 0.5125 0.3555 0.1708 0.3326 0.1598 0.1719 0.7483 0.0497 0.1278 0.4186 0.7160 0.7346 0.6668 0.6366 0.4189 0.6261 0.1877 0.4775 0.5935 0.7256 0.4217 0.4663 0.7419 0.6994 0.2010 0.1379 0.1196 0.7298 0.1396 0.2087 0.1254
0.8545 0.8558 0.8251 0.8571 0.8568 0.8205 0.8514 0.8178 0.6057 0.8031 0.8519 0.8254 0.8104 0.8508 0.3863 0.8291 0.8006 0.7569 0.6202 0.8565 0.8561 0.5619 0.8414 0.6357 0.7863 0.7911 0.7822 0.1958 0.7402 0.7665 0.1578 0.7420 0.8505 0.2137 0.5688 0.8571 0.6424 0.6270 0.8557 0.3848 0.8012 0.4724 0.1936 0.4381 0.6566 0.8211 0.8389 0.8493 0.6559 0.8469 0.3062 0.8288 0.8421 0.3832 0.3120 0.1127 0.2211 0.6998 0.3834 0.8506 0.2119 0.2335 0.2714 0.2224 0.4340 0.8402 0.8566 0.6067 0.7814 0.8327 0.7763 0.8055 0.8447 0.8420 0.8570 0.7075 0.8167 0.8393 0.3585 0.4687 0.8526 0.4585 0.3683 0.1524 0.3876 0.2475 0.2721 0.5962 0.2447 0.7194 0.1702 0.6159 0.5411 0.7269 0.7737 0.6150 0.7444 0.1753 0.2692 0.5285 0.8326 0.7036 0.7282 0.5346 0.5769 0.2102 0.2830 0.3382 0.6962 0.8530 0.4889 0.3034 0.6916 0.3987 0.4149 0.3276 0.4859 0.6819 0.7207 0.6911 0.7749 0.8102 0.7186 0.8571 0.8565 0.3958 0.5138 0.8569 0.7399 0.8347 0.8535 0.8569 0.8350 0.8544 0.6929 0.3792 0.7856 0.3374 0.5911 0.8235 0.7670 0.5948 0.8525 0.6777 0.5246 0.2918 0.4992 0.2755 0.2934 0.8560 0.0947 0.2266 0.5902 0.8345 0.8470 0.8001 0.7780 0.5905 0.7700 0.3160 0.6464 0.7449 0.8410 0.5932 0.6360 0.8518 0.8231 0.3347 0.2424 0.2136 0.8438 0.2451 0.3453 0.2228
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 6 1 6 6 6 6 1 6 6 8 6 6 6 6 6 6 17 7 6 6 6 6 6 6 7 1 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 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783
8260.0031 31329.9599 35057.7000
0.99995 -0.00917 -0.00252 0.00922 0.99974 0.02070 0.00233 -0.02073 0.99978
1
0.01049 0.00276 0.00247
0.21849 0.05760 0.05148
29.14 33.62 36.90 40.22 53.39 66.28 72.69 104.22 123.33 135.89 147.01 165.93 203.45 219.21 243.01 272.04 303.85 331.72 354.31 364.08 414.29 420.26 453.63 461.23 486.58 500.21 523.66 536.39 586.93 613.41 639.91 660.33 661.66 684.12 697.37 709.38 730.95 750.39 753.27 778.94 829.93 832.84 854.07 884.25 893.70 913.31 947.88 956.83 972.76 1003.71 1031.14 1044.29 1056.15 1118.00 1140.72 1162.27 1173.77 1184.18 1198.32 1220.86 1225.72 1275.75 1306.25 1315.81 1336.58 1357.97 1360.86 1367.03 1394.33 1396.16 1425.24 1433.38 1457.31 1472.97 1480.67 1512.03 1535.18 1548.71 1555.41 1564.31 1577.09 1583.95 1594.18 1597.86 1648.79 1653.79 1676.55 1683.54 1717.79 1725.58 1738.92 1743.22 1749.65 1757.86 1778.63 1794.22 1798.53 1812.81 1831.83 1840.48 1861.06 1878.39 1885.28 1887.16 1903.84 1906.40 1930.81 1972.58 1977.87 2000.36 2019.80 2040.52 2045.21 2059.81 2062.60 2097.10 2145.59 2147.90 2165.34 2184.06 2200.02 2202.81 2237.22 2252.10 2269.74 2281.06 2296.83 2320.16 2330.77 2342.43 2345.92 2346.28 2361.98 2376.15 2385.41 2405.33 2410.64 2432.46 2469.52 2546.35 2563.61 2579.07 2599.53 2601.15 2607.89 2635.15 2786.15 4607.82 4613.55 4615.15 4624.10 4626.12 4660.95 4671.31 4703.88 4721.15 4726.51 4731.96 4749.95 4797.01 4808.90 4829.94 4830.07 4841.66 4847.37 4852.48 4852.69 4872.04 4876.74 4885.29 4892.44 4893.88 5488.66 5580.30
0.528808
0.555642
0.556587
0.468233
-1793.614545
-1793.587710
-1793.586766
-1793.675120
2.963408D-04
MUNgauss
RevisionA2.0
retrievium
06-Jan-2021
DUDE CC(C)Oc1ccccc1[C@H]2C3=C(C[C@H](CC3=O)c4ccc(cc4)Cl)Nc5ccccc5N2 C04065163
RHF
6-31G(d)
(6D,10F)
C1
458.176106
|X|Y|Z|
58.815072 37.892586 123.965231
65.129977
27
|36.858105|
|12.516676|36.858105|
|7.521068|12.541335|36.858105|
|7.846766|13.353858|8.083793|73.516695|
|6.092254|7.911079|5.265039|24.800126|36.858105|
|4.859386|6.301675|4.546722|14.177500|13.755682|36.858105|
|3.789104|4.391818|3.421033|9.275267|7.935339|13.752159|36.858105|
|3.500672|3.799730|3.013712|8.196241|6.884017|7.958894|13.792219|36.858105|
|3.888530|4.087399|3.203275|9.342733|7.994654|6.914924|7.963145|13.737687|36.858105|
|5.063985|5.459009|4.054880|14.272601|13.636354|7.869981|6.806325|7.862903|13.737488|36.858105|
|4.995264|4.941430|3.947731|12.161019|7.561832|5.005204|4.401743|4.952555|7.410473|12.449597|36.858105|
|6.477234|5.830501|4.526776|13.409708|7.171140|4.757441|4.018293|4.268601|5.769677|9.051952|17.697234|0.500000|
|3.926525|3.665873|3.060308|7.963799|4.978772|3.829460|3.670142|4.369584|6.387821|7.415813|12.587601|0.255497|36.858105|
|3.092879|2.980093|2.598527|6.374448|3.942102|3.227641|3.198565|3.842496|5.267878|5.430389|7.475259|0.161133|14.106719|36.858105|
|2.618494|2.473410|2.195268|5.037686|3.065100|2.632735|2.659695|3.153720|3.991209|3.919599|4.833445|0.117332|7.594649|12.541281|36.858105|
|2.647989|2.431095|2.124578|4.806653|2.956118|2.585601|2.646625|3.148959|3.894307|3.723897|4.328105|0.110578|6.560845|7.493889|12.460901|36.858105|
|2.643740|2.456718|2.118788|4.882275|3.098580|2.758782|2.905593|3.572877|4.412276|3.959581|4.307762|0.107581|6.260093|6.861127|8.981948|17.535424|0.500000|
|3.147997|2.759882|2.376462|5.350328|3.224092|2.751905|2.733864|3.165380|3.946372|4.020923|4.866602|0.133606|7.380844|6.571891|7.677368|12.486691|0.249196|36.858105|
|4.072217|3.515439|2.907692|7.035760|4.299739|3.457826|3.336657|3.877446|5.191607|5.722961|7.604027|0.212271|12.943984|7.787968|6.594485|7.536775|0.191829|12.556394|36.858105|
|5.079598|4.050100|3.232792|7.717541|4.623711|3.699626|3.470312|3.868072|4.955666|5.731536|6.937598|0.227427|8.144720|5.380487|4.656350|5.300974|0.142519|8.113507|15.836612|73.516695|
|2.227601|2.051143|1.830704|3.963510|2.394774|2.152059|2.210541|2.565621|3.005268|2.873327|3.229469|0.084939|4.337470|4.894895|7.526333|12.538118|0.250270|7.479150|4.893095|6.980870|36.858105|
|2.011121|1.871913|1.672742|3.592368|2.193371|2.021041|2.116407|2.462744|2.790937|2.590163|2.780101|0.072915|3.539713|3.914841|5.337501|7.553403|0.207749|5.263360|3.895941|5.871270|13.721304|36.858105|
|1.773357|1.655721|1.499765|3.140433|1.892742|1.762968|1.838378|2.096019|2.321321|2.180428|2.325315|0.061797|2.841333|3.103929|4.014691|5.001549|0.134559|3.972819|3.090079|4.834483|7.867733|13.742123|36.858105|
|1.707108|1.587637|1.454066|2.994097|1.775361|1.643312|1.688967|1.896762|2.105943|2.024668|2.197692|0.059117|2.661104|2.902247|3.744535|4.424896|0.111780|3.721919|2.894490|4.561603|6.837907|7.984152|13.805146|36.858105|
|1.829606|1.688917|1.551198|3.191361|1.872351|1.707245|1.731285|1.937239|2.187010|2.145373|2.393388|0.064825|2.944617|3.229710|4.292809|4.985334|0.116704|4.289484|3.229340|5.012245|7.871993|6.897312|7.933747|13.768549|36.858105|
|2.092788|1.919165|1.743811|3.666954|2.161069|1.938161|1.957794|2.216262|2.566173|2.531007|2.895747|0.077947|3.740454|4.169923|6.032299|7.481829|0.155554|6.058673|4.180199|6.191145|13.679635|7.996936|6.889710|7.977868|13.776631|36.858105|
|1.484899|1.389395|1.286746|2.595818|1.527703|1.430443|1.468550|1.625118|1.770287|1.708510|1.830739|0.049590|2.141395|2.302363|2.809940|3.149426|0.082101|2.795804|2.296120|3.722204|4.205777|4.769366|7.035558|10.926012|7.032749|4.770449|448.794386|
|2.775909|2.792802|2.501253|6.079327|3.731864|3.121771|3.105478|3.682906|4.837661|4.917234|6.221694|0.133364|7.834460|13.969337|8.015186|5.165614|0.138514|4.484856|5.081370|7.114092|3.909017|3.319901|2.742879|2.584196|2.826088|3.466434|16.952625|53.358707|
|2.823244|2.977404|2.699176|6.731391|4.129708|3.451801|3.381780|3.912000|5.017095|5.261188|6.186642|0.130511|6.079056|7.509370|5.056329|3.818826|0.106058|3.530846|4.145459|6.265132|3.050301|2.699376|2.297944|2.172997|2.337591|2.761959|14.686224|18.403475|36.858105|
|2.387805|2.546807|2.356877|5.580988|3.422311|3.045566|3.072505|3.508988|4.138792|4.074392|4.335273|0.098088|4.294759|5.176635|4.086791|3.214176|0.090793|2.904631|3.244149|5.043756|2.702416|2.472646|2.148274|2.027492|2.143274|2.463742|13.941701|10.849680|13.705243|36.858105|
|2.284885|2.505862|2.370014|5.477983|3.302263|3.025732|3.020310|3.296880|3.677850|3.683448|3.739252|0.087589|3.484381|3.880996|3.173778|2.632260|0.074573|2.452558|2.749287|4.431407|2.265857|2.104424|1.862387|1.767831|1.856223|2.094660|12.386064|7.060384|7.888579|13.792376|36.858105|
|2.526362|2.865842|2.752047|6.430732|3.773000|3.419834|3.269135|3.412070|3.778673|4.007463|4.009175|0.095021|3.470121|3.632582|2.910548|2.471857|0.069709|2.386761|2.748065|4.539021|2.115549|1.953665|1.732627|1.653209|1.744052|1.969100|11.626283|6.194886|6.853546|7.982956|13.761026|36.858105|
|3.065490|3.536435|3.352439|8.448042|4.827346|4.055374|3.673673|3.804149|4.441473|5.154815|5.355398|0.123779|4.238062|4.224199|3.207480|2.719111|0.076050|2.700774|3.237888|5.374195|2.271105|2.061036|1.808917|1.729217|1.843449|2.111124|12.046050|6.995780|7.969319|6.945573|7.968023|13.787630|36.858105|
|3.327524|3.649691|3.314777|8.811821|5.194340|4.079820|3.745054|4.110216|5.285173|6.373407|7.724943|0.160216|6.008277|6.067613|4.154419|3.372751|0.093300|3.344130|4.144914|6.588542|2.710081|2.400960|2.066209|1.969734|2.124434|2.491478|13.462741|10.537495|13.686580|7.917256|6.809670|7.864936|13.689208|36.858105|
|4.203455|4.476414|3.950845|11.199060|6.097790|4.340436|3.778169|4.061712|5.412892|7.641471|12.975094|0.261260|7.689811|6.467533|4.320037|3.618349|0.097832|3.844435|5.138953|8.324299|2.845955|2.467172|2.112265|2.027996|2.217311|2.636201|13.772073|9.047247|7.865919|5.164938|4.540601|5.146822|7.835967|13.616847|53.358707|
|17.541794|8.856121|6.754272|10.076350|4.694864|4.108432|3.325868|3.045706|3.263264|3.985699|3.900014|0.132751|3.255935|2.654842|2.316509|2.371192|0.065760|2.800015|3.450358|7.552971|2.041517|1.862603|1.662195|1.606480|1.713649|1.934613|11.335169|3.270777|2.431861|2.102439|2.027343|2.224991|2.630622|2.801170|4.627256|0.500000|
|17.588638|8.789892|5.482367|12.649271|6.597730|5.232526|4.213957|3.995133|4.511208|5.826745|5.502769|0.196985|4.428625|3.375489|2.854677|2.960041|0.083220|3.587403|4.802649|11.408244|2.448409|2.211486|1.926639|1.835420|1.959581|2.260353|12.693218|4.009443|2.935526|2.465783|2.321171|2.521705|3.037177|3.381825|5.778438|0.300907|0.500000|
|17.560111|8.824874|6.926977|12.403834|5.303038|4.114434|3.321596|3.182840|3.648942|4.790884|5.298220|0.205001|4.189858|3.281271|2.770881|2.764310|0.074927|3.342980|4.349120|9.555255|2.320843|2.060762|1.817855|1.767998|1.920033|2.211090|12.304251|3.977131|2.938527|2.450066|2.323711|2.563950|3.143720|3.482268|6.236458|0.300876|0.301734|0.500000|
|8.910020|17.579178|8.919771|16.530930|7.445568|7.212366|4.875807|3.961885|4.004642|4.999088|4.213231|0.130403|3.270306|2.712236|2.288470|2.278474|0.064904|2.550264|3.174958|6.469145|1.940982|1.797833|1.596010|1.521058|1.601365|1.804807|10.743148|3.480896|2.726593|2.386700|2.368693|2.687294|3.213643|3.252994|5.147593|0.216164|0.210503|0.173894|0.500000|
|5.488040|8.840625|17.571253|13.026273|5.073121|4.635755|3.474364|2.997585|3.113345|3.850776|3.638844|0.110110|2.837807|2.466394|2.082926|1.997094|0.055678|2.186663|2.639823|5.088071|1.729578|1.592332|1.432006|1.385293|1.469973|1.644049|9.883444|3.307799|2.683043|2.387172|2.456774|2.911296|3.512563|3.314979|5.135221|0.139387|0.123074|0.140972|0.214806|0.500000|
|6.850344|8.845041|17.555452|10.224226|4.247486|3.869766|3.034725|2.682444|2.802659|3.410420|3.326907|0.105707|2.699318|2.316430|2.002530|1.964793|0.054376|2.205063|2.639816|5.266843|1.716347|1.577140|1.424833|1.385740|1.474618|1.644389|9.911928|3.015782|2.351106|2.081242|2.088241|2.380687|2.815056|2.798204|4.450201|0.200949|0.139473|0.172407|0.212606|0.300352|0.500000|
|6.827427|8.850784|17.556439|12.960273|4.793175|3.959947|3.090518|2.825854|3.092006|3.953653|4.135829|0.134497|3.201469|2.726414|2.294074|2.190313|0.059829|2.461377|3.012072|5.878297|1.885842|1.704863|1.529177|1.493302|1.607338|1.813659|10.588250|3.579293|2.831634|2.443010|2.442209|2.841140|3.515126|3.519953|5.888259|0.165186|0.140819|0.206148|0.174117|0.300876|0.300805|0.500000|
|4.735365|6.591705|4.972647|12.916820|8.936863|17.729505|8.909369|5.654729|4.975076|5.621225|4.096978|0.112493|3.219301|2.768125|2.310852|2.272366|0.066570|2.424872|2.971297|5.699969|1.929946|1.820068|1.608399|1.510214|1.567645|1.761453|10.664692|3.678825|2.988656|2.694621|2.737081|3.130560|3.641615|3.527800|5.092878|0.115974|0.133616|0.109578|0.236070|0.147347|0.119006|0.114392|0.500000|
|3.281446|3.773074|3.068687|7.494911|5.648425|8.929102|17.713748|8.909866|5.649899|4.917066|3.525861|0.091327|3.052409|2.733531|2.342086|2.346490|0.071442|2.403326|2.837330|5.245722|2.005941|1.947660|1.713269|1.574385|1.600890|1.787581|11.108833|3.648861|2.903902|2.722732|2.724101|2.925024|3.171594|3.152603|4.266174|0.082856|0.099375|0.080137|0.119281|0.087841|0.077475|0.076566|0.215192|0.500000|
|2.959384|3.140742|2.579390|6.503994|4.957765|5.650129|8.913450|17.717297|8.912178|5.618393|4.047311|0.098283|3.829192|3.532303|3.025139|3.063103|0.098603|2.984893|3.482395|6.069601|2.547213|2.507110|2.139589|1.912319|1.924721|2.180346|13.198364|4.652285|3.554562|3.318491|3.109930|3.111279|3.322378|3.556899|4.669887|0.073347|0.092907|0.075731|0.091127|0.071503|0.064952|0.067699|0.124135|0.214135|0.500000|
|3.392182|3.433220|2.793891|7.536486|5.672947|4.975903|5.669046|8.954058|17.744511|8.957587|6.865726|0.146348|7.264880|6.437399|4.851650|4.725323|0.156347|4.505860|5.731635|8.934752|3.509796|3.254807|2.636024|2.353721|2.437051|2.901178|15.610487|7.749809|5.427872|4.449097|3.738101|3.641242|4.145141|5.143455|6.960019|0.080549|0.108523|0.091135|0.092292|0.075119|0.068921|0.076433|0.107936|0.124402|0.216243|0.500000|
|2.331244|2.245823|2.012577|4.571128|2.803837|2.470650|2.542795|3.032315|3.722030|3.519202|4.087037|0.098552|5.720212|8.906381|17.549321|8.876076|0.218207|5.563662|4.932962|6.696983|6.905668|5.477207|4.171242|3.805195|4.185819|5.502123|23.086560|10.540814|4.998761|4.329685|3.296471|2.916109|3.098852|3.901118|5.185401|0.057856|0.070060|0.067633|0.058441|0.053723|0.051144|0.058032|0.060516|0.062952|0.082781|0.126909|0.500000|
|2.514162|2.360428|2.136750|4.744073|2.794535|2.397845|2.378611|2.735899|3.375679|3.445955|4.345954|0.110069|6.283388|8.965622|17.523015|8.805836|0.174535|6.819984|5.729499|7.564588|6.884853|4.773594|3.827783|3.794184|4.615747|6.618218|23.034211|9.226589|4.564233|3.745506|2.975082|2.755773|3.035883|3.870325|5.575570|0.062235|0.074766|0.075240|0.060168|0.056140|0.054392|0.062841|0.059402|0.058702|0.072518|0.108371|0.303804|0.500000|
|3.075189|2.654526|2.275390|5.005821|3.027397|2.649641|2.657134|3.047143|3.657793|3.653553|4.135991|0.116560|5.576449|4.908840|5.533698|8.758585|0.214211|17.601214|9.002700|13.629799|6.748132|5.270135|4.052257|3.737881|4.156453|5.497716|22.761526|4.956787|3.007597|2.546449|2.197587|2.151416|2.410027|2.893946|4.475160|0.077556|0.098773|0.088961|0.069221|0.058020|0.059457|0.064632|0.065367|0.065653|0.080800|0.113571|0.123717|0.139221|0.500000|
|3.028628|2.637990|2.326151|5.049020|2.936833|2.502788|2.442445|2.752345|3.360839|3.539596|4.409698|0.125417|6.223889|5.786232|6.874368|8.815517|0.174356|17.510795|9.029728|12.066122|6.799823|4.689744|3.767742|3.747033|4.581787|6.605657|22.797200|5.672427|3.315516|2.742487|2.335836|2.284355|2.584589|3.174533|5.020010|0.075549|0.093120|0.091788|0.066982|0.059202|0.060279|0.067966|0.062285|0.060181|0.071905|0.103265|0.140205|0.200194|0.303157|0.500000|
|2.044226|1.916744|1.697474|3.694166|2.295407|2.138703|2.280690|2.699762|3.031206|2.727098|2.842560|0.073677|3.584449|3.918210|5.042300|7.021268|0.231841|4.959762|3.893143|5.919014|8.916150|17.709678|8.967015|5.678827|4.964121|5.665400|31.648651|4.558071|2.758820|2.544470|2.167792|2.007328|2.109752|2.448419|3.390883|0.052494|0.062953|0.057466|0.051564|0.045053|0.044374|0.047664|0.053153|0.058391|0.077722|0.099852|0.146930|0.119086|0.140500|0.117061|0.500000|
|1.657112|1.557238|1.412936|2.942505|1.779541|1.679039|1.765318|2.006598|2.181779|2.029466|2.123154|0.056400|2.535145|2.740391|3.393268|4.084841|0.115186|3.356943|2.726336|4.349370|5.615289|8.893723|17.746072|8.933303|5.647302|4.962917|53.731250|3.364859|2.115580|2.006882|1.758950|1.635691|1.693741|1.910214|2.635664|0.043377|0.049941|0.046816|0.042011|0.037636|0.037401|0.039803|0.042714|0.046113|0.057547|0.068371|0.099232|0.089067|0.096392|0.087733|0.216005|0.500000|
|1.740226|1.606649|1.491177|3.016983|1.749288|1.595661|1.605446|1.775045|1.992544|1.979391|2.216262|0.060612|2.667198|2.896402|3.698024|4.067305|0.096357|3.705388|2.899277|4.582920|5.615640|4.966850|5.649691|8.925047|17.745903|8.907272|53.768711|3.513694|2.170497|1.999143|1.749355|1.652434|1.744354|1.993024|2.837624|0.045524|0.051264|0.051002|0.042226|0.039249|0.039527|0.043104|0.040991|0.041370|0.048767|0.060826|0.099646|0.113840|0.099612|0.113522|0.107751|0.124301|0.500000|
|2.204319|2.008995|1.836694|3.839905|2.228369|1.971335|1.961072|2.198786|2.572010|2.604561|3.072493|0.083757|3.979534|4.406781|6.221288|6.899894|0.139649|6.332284|4.441754|6.539048|8.877239|5.661146|4.960901|5.680752|8.999550|17.716623|31.691710|4.938383|2.878694|2.524742|2.147036|2.035919|2.207023|2.626166|3.850606|0.056385|0.065586|0.065721|0.051908|0.047855|0.048015|0.053617|0.049879|0.049491|0.059247|0.079736|0.147770|0.213972|0.150681|0.219150|0.124091|0.107697|0.216919|0.500000|
|2.431073|2.437797|2.216406|5.164097|3.142193|2.719660|2.746818|3.232610|4.029324|3.956957|4.711707|0.107426|5.843844|9.571827|8.027925|5.010945|0.133263|4.103110|4.299412|6.127043|4.018113|3.451125|2.877483|2.717250|2.961088|3.593873|17.809857|26.102612|9.460737|7.701284|4.962239|4.124174|4.344044|5.821384|6.802108|0.059491|0.071340|0.070833|0.062733|0.060126|0.055237|0.064547|0.066447|0.067283|0.085885|0.131887|0.256882|0.194926|0.094011|0.107617|0.095806|0.071957|0.074995|0.103114|0.500000|
|2.164037|2.267917|2.099133|4.837129|2.972618|2.698395|2.779314|3.210752|3.714638|3.530465|3.737857|0.086526|3.928753|4.929414|4.211312|3.283131|0.093105|2.859601|3.072249|4.733010|2.821374|2.613990|2.277741|2.139349|2.243357|2.561383|14.696923|10.058744|8.934821|17.686222|8.938488|5.664261|4.987145|5.641781|5.697743|0.053523|0.062504|0.061595|0.059558|0.058722|0.052206|0.060218|0.066734|0.069483|0.087022|0.114768|0.131554|0.106620|0.069849|0.074919|0.074812|0.059243|0.057855|0.071962|0.235173|0.500000|
|2.032665|2.218015|2.116538|4.721457|2.836718|2.675082|2.712417|2.935118|3.162305|3.100358|3.101166|0.074476|2.953103|3.284391|2.814089|2.376417|0.067552|2.198468|2.411091|3.915890|2.093115|1.973340|1.768137|1.679258|1.747668|1.944437|11.895270|5.736156|5.628637|8.936696|17.725056|8.887314|5.651229|4.919719|4.920106|0.050762|0.057320|0.057152|0.058940|0.061173|0.052480|0.060216|0.068259|0.069555|0.078826|0.089710|0.082554|0.073757|0.055351|0.058342|0.056538|0.046764|0.045893|0.054952|0.117288|0.215890|0.500000|
|2.359532|2.710390|2.664526|5.924955|3.413041|3.207006|3.055024|3.084179|3.278488|3.459247|3.383493|0.082973|2.936840|3.020837|2.500183|2.172870|0.061342|2.114583|2.409085|4.050094|1.890842|1.762985|1.580666|1.512724|1.587955|1.772351|10.754703|4.929131|4.942331|5.659457|8.898142|17.721640|8.937280|5.619685|5.685888|0.058496|0.064737|0.066020|0.071507|0.079936|0.064503|0.075768|0.084039|0.077815|0.078882|0.086633|0.069641|0.066321|0.053653|0.056494|0.050310|0.041711|0.042011|0.050780|0.093265|0.124253|0.213340|0.500000|
|3.327640|4.021198|3.941705|9.800117|5.182757|4.333491|3.716022|3.647323|4.131238|5.015168|5.078627|0.124546|3.853889|3.662874|2.851605|2.489640|0.069456|2.537120|3.064013|5.252741|2.097953|1.908704|1.687018|1.619773|1.726820|1.965584|11.361847|5.663139|5.669640|4.988707|5.658168|8.930850|17.704768|8.963169|9.821591|0.079093|0.089052|0.094412|0.100197|0.118300|0.089564|0.115200|0.111704|0.089544|0.087287|0.103423|0.075544|0.075795|0.063712|0.067910|0.054162|0.043990|0.045634|0.057249|0.099183|0.108089|0.124118|0.215672|0.500000|
|4.675337|5.280945|4.815957|13.928206|6.516223|4.554884|3.756861|3.817664|4.788896|6.896801|9.450918|0.243000|5.785583|4.862755|3.550666|3.098806|0.084144|3.351633|4.385750|7.580035|2.511612|2.207216|1.917966|1.851541|2.015548|2.357197|12.744624|6.738832|5.864806|4.346343|4.111571|4.942639|7.683101|9.620350|25.974276|0.103619|0.124462|0.142951|0.118881|0.127904|0.106229|0.151358|0.112538|0.087254|0.089007|0.120287|0.088320|0.095220|0.081992|0.090523|0.061883|0.049188|0.053111|0.070199|0.110773|0.099246|0.092972|0.116697|0.234165|0.500000|
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