Version2.0
2019-11-23T16:37:16Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
05-Nov-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc(cc1)S(=O)(=O)[C@@H]([C@@H]2c3ccccc3CCN2C(=O)Nc4cccc(c4)C(F)(F)F)[N+](=O)[O-] C03128260
RHF
6-31G(d)
(6D,7F)
c1ccc(cc1)S(=O)(=O)[C@@H]([C@@H]2c3ccccc3CCN2C(=O)Nc4cccc(c4)C(F)(F)F)[N+](=O)[O-]
C01[X(C24H20F3N3O5S1)]
162
C1
584
O=C(N1CCc2c([C@H]1[C@H](S(=O)(=O)c1ccccc1)[N+](=O)[O-])cccc2)Nc1cccc(c1)C(F)(F)F
O=C(N1CCc2c([C@H]1[C@H](S(=O)(=O)c1ccccc1)[N+](=O)[O-])cccc2)Nc1cccc(c1)C(F)(F)F
[O-][N+](=O)[C@H]([C@H]1N(CCc2ccccc12)C(=O)Nc3cccc(c3)C(F)(F)F)[S](=O)(=O)c4ccccc4
InChIKey=KTEVEEQPUAOFNK-VXKWHMMOSA-N
InChI=1S/C24H20F3N3O5S/c25-24(26,27)17-8-6-9-18(15-17)28-23(31)29-14-13-16-7-4-5-12-20(16)21(29)22(30(32)33)36(34,35)19-10-2-1-3-11-19/h1-12,15,21-22H,13-14H2,(H,28,31)/t21-,22-/m0/s1
InChI=1/C24H20F3N3O5S/c25-24(26,27)17-8-6-9-18(15-17)28-23(31)29-14-13-16-7-4-5-12-20(16)21(29)22(30(32)33)36(34,35)19-10-2-1-3-11-19/h1-12,15,21-22H,13-14H2,(H,28,31)/t21-,22-/m0/s1/f/h28H
c1ccc(cc1)S(=O)(=O)[C@@H]([C@@H]2c3ccccc3CCN2C(=O)Nc4cccc(c4)C(F)(F)F)[N+](=O)[O-]
C01[X(C24H20F3N3O5S1)]
162
C01
584
O=C(N1CCc2c([C@H]1[C@H](S(=O)(=O)c1ccccc1)[N+](=O)[O-])cccc2)Nc1cccc(c1)C(F)(F)F
O=C(N1CCc2c([C@H]1[C@H]([S@@](=O)(c1ccccc1)O)N(O)O)cccc2)Nc1cccc(c1)C(F)(F)F
ON(O)[C@H]([C@H]1N(CCc2ccccc12)C(=O)Nc3cccc(c3)C(F)(F)F)[S](O)(=O)c4ccccc4
InChIKey=BUIHCBXOGAABNF-QSSXUJFUSA-N
InChI=1S/C27H32N5O2S2/c1-5-29-12-14-30(15-13-29)24-21(18(3)22(17-28)25(33)31(24)6-2)16-23-26(34)32(27(35)36-23)19(4)20-10-8-7-9-11-20/h7-11,16,19,29H,5-6,12-15H2,1-4H3/b23-16-/t19-/m0/s1
InChI=1/C27H32N5O2S2/c1-5-29-12-14-30(15-13-29)24-21(18(3)22(17-28)25(33)31(24)6-2)16-23-26(34)32(27(35)36-23)19(4)20-10-8-7-9-11-20/h7-11,16,19,29H,5-6,12-15H2,1-4H3/b23-16-/t19-/m0/s1
4251.8533545854
-2153.8193248
1-A
19691.8626
134
450
584
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10.54705
5.2647 0.2777 -1.0524
5.3760
|XX|YY|ZZ|XY|XZ|YZ|
-211.7310 -184.8087 -223.5691 17.6262 -12.8145 -5.3837
|XX|YY|ZZ|XY|XZ|YZ|
-5.0281 21.8942 -16.8662 17.6262 -12.8145 -5.3837
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-25.8182 122.5783 16.1548 105.8915 -7.5651 -53.7437 -7.5805 -8.4496 0.0868 -7.9928
|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|A|A|A|A|A|A|
8.0188 12.0457 16.1537 28.5701 35.8346 49.0774 55.6227 59.9429 70.4963 77.2387 89.7383 98.7677 122.1400 132.5988 142.5286 174.2188 186.3893 202.0577 208.1701 214.6272 225.2219 232.3902 266.8666 270.0495 307.0133 320.8463 348.3039 350.3052 356.5117 366.0202 392.0535 408.3419 435.5628 450.8384 455.1074 458.4127 480.9383 489.7351 496.9720 507.9355 528.2923 543.4561 573.8275 598.6657 607.6603 622.5096 634.6902 644.7190 665.2361 671.5217 689.7777 701.2783 709.5864 720.4604 744.5847 757.4577 776.0534 780.5868 795.4506 805.4074 813.1892 831.3715 841.8780 855.2349 864.7272 868.0865 903.7350 932.3345 960.1374 965.9306 981.8479 990.5192 995.1582 1014.8259 1025.5742 1041.8449 1073.2327 1076.5367 1086.1590 1088.9709 1089.7694 1093.2992 1117.5607 1118.1789 1121.9938 1122.9797 1132.9713 1143.5916 1144.5912 1147.9321 1185.3000 1185.8886 1186.9276 1206.8465 1210.4121 1218.5983 1229.9181 1234.4915 1238.3897 1255.6692 1282.3595 1299.6810 1304.9337 1320.0224 1322.1227 1347.0969 1348.0686 1351.8594 1358.7718 1363.2989 1371.9158 1387.0976 1400.3192 1413.9418 1436.6823 1458.1567 1462.3990 1471.5647 1473.7761 1488.3330 1494.4559 1518.6408 1541.1197 1575.3122 1599.0235 1612.0707 1623.7443 1628.3246 1653.4909 1654.7919 1661.8728 1671.5643 1672.3683 1744.6421 1780.5345 1782.3935 1790.1572 1805.8951 1813.0091 1824.5464 1875.8170 1946.6643 3217.1625 3241.3470 3261.6461 3352.3342 3352.5068 3356.4515 3371.1483 3374.0858 3377.3426 3377.4918 3380.3356 3386.6710 3389.1220 3398.2590 3404.1051 3408.6424 3412.3882 3426.3539 3445.1231 3859.3401
15.0859 9.3295 7.5683 6.9128 5.9205 6.5280 5.5189 5.5215 5.9429 7.5123 6.5264 8.6261 8.1841 7.1374 7.2981 4.2730 8.9970 7.1994 7.6549 5.0016 6.4767 5.9514 4.7003 5.1091 8.6086 5.6731 7.6379 7.5798 5.9537 5.9126 7.5367 4.0180 5.5273 3.0128 6.1821 5.2690 6.2013 4.4368 3.5115 3.7760 5.1979 4.0222 6.6445 11.1495 4.5960 1.7249 10.8563 4.0732 3.9816 6.4299 3.9263 4.0297 5.1898 7.4563 5.5484 2.5400 3.7083 2.5553 5.1988 4.1425 4.9363 7.4504 2.3723 1.5161 6.8196 1.8254 1.4922 3.5087 1.2441 4.2842 4.3847 4.5006 1.4242 1.6711 2.5531 1.3984 1.8226 2.1024 3.8521 5.0975 5.0659 1.6193 1.3921 1.3399 2.8639 2.8426 1.5860 1.3610 2.4057 2.5192 3.4227 2.5145 1.7734 2.8764 2.5087 1.7224 2.0893 2.2698 3.3799 6.7764 2.1983 1.6334 1.1924 2.2393 1.3711 6.0869 1.8049 1.6055 1.6509 1.4906 6.0015 2.5359 2.1460 1.6253 1.5906 2.6479 1.7761 1.3555 1.4461 4.4413 1.4830 1.4775 1.3365 1.6801 2.8205 2.1146 2.1214 1.1349 1.1039 1.9966 12.2240 2.3799 2.5008 1.8813 6.0714 5.1646 4.9464 4.6276 5.2870 5.0407 10.5140 9.3651 1.0621 1.0833 1.0936 1.0892 1.0947 1.0870 1.0915 1.0886 1.0883 1.0907 1.0925 1.0954 1.0921 1.0959 1.0959 1.0948 1.0959 1.0950 1.0942 1.0781
0.0006 0.0008 0.0012 0.0033 0.0045 0.0093 0.0101 0.0117 0.0174 0.0264 0.0310 0.0496 0.0719 0.0739 0.0874 0.0764 0.1842 0.1732 0.1954 0.1357 0.1936 0.1894 0.1972 0.2195 0.4781 0.3441 0.5459 0.5480 0.4458 0.4667 0.6825 0.3947 0.6178 0.3608 0.7544 0.6524 0.8451 0.6270 0.5110 0.5740 0.8547 0.6999 1.2891 2.3544 0.9999 0.3938 2.5766 0.9975 1.0382 1.7083 1.1007 1.1676 1.5396 2.2803 1.8124 0.8586 1.3158 0.9173 1.9381 1.5832 1.9232 3.0340 0.9906 0.6534 3.0045 0.8105 0.7181 1.7970 0.6757 2.3551 2.4905 2.6017 0.8310 1.0140 1.5821 0.8943 1.2369 1.4355 2.6775 3.5615 3.5447 1.1404 1.0244 0.9870 2.1241 2.1121 1.1994 1.0487 1.8569 1.9559 2.8332 2.0835 1.4720 2.4683 2.1655 1.5070 1.8621 2.0380 3.0540 6.2951 2.1299 1.6256 1.1963 2.2989 1.4121 6.5079 1.9326 1.7287 1.7958 1.6323 6.6553 2.8747 2.4793 1.9144 1.9344 3.3171 2.2379 1.7295 1.8506 5.7965 1.9514 2.0076 1.8703 2.4565 4.2491 3.2377 3.2953 1.7728 1.7782 3.2212 19.8912 3.9179 4.1209 3.3738 11.3406 9.6671 9.3395 8.8919 10.2391 9.8866 21.7971 20.9096 6.4766 6.7059 6.8548 7.2120 7.2491 7.2152 7.3088 7.3020 7.3136 7.3304 7.3553 7.4027 7.3905 7.4566 7.4821 7.4947 7.5185 7.5743 7.6520 9.4610
0.0939 0.0562 0.2062 0.4772 1.6692 0.6818 0.2720 0.5689 0.0575 3.4056 2.6176 0.4288 3.5386 4.0197 0.4331 2.8803 4.4385 3.0990 1.2681 1.2590 2.6992 2.2445 3.8959 3.4809 0.5302 5.7638 0.6305 7.9514 1.5110 1.9741 3.5007 3.7150 9.3164 0.0712 2.5781 18.0055 17.1841 7.3395 11.9548 1.0613 7.1656 17.5629 8.6887 67.4358 115.1780 73.3328 0.0984 8.5207 80.5700 1.0064 12.1307 23.2661 11.5982 19.7870 1.9362 61.5513 9.4573 17.9229 84.7039 15.4516 5.0607 26.1785 4.2895 33.9724 20.9789 49.1651 51.1403 11.9720 0.0957 20.6495 21.5670 5.1598 4.5142 21.5429 35.4681 0.7731 3.8321 2.2223 6.4932 11.9870 10.0349 19.1279 0.5086 0.6373 30.7061 6.9014 4.3144 1.0696 19.2196 4.2886 49.6445 45.0609 0.9645 2.8403 15.6982 42.8412 10.5477 25.2287 39.1129 234.3849 43.4761 0.3057 4.0494 80.5345 26.9219 252.8353 70.5112 12.9097 66.2480 12.2928 78.2666 37.6606 233.8616 16.2525 113.2780 282.6770 11.7045 0.5496 169.2390 476.0799 3.6327 2.7871 14.0600 23.7565 23.3402 28.7393 7.2576 6.9358 11.6141 6.0225 127.5530 104.5925 129.6309 546.4298 2.6296 0.8568 18.0706 0.2048 1.7135 88.2923 391.1490 381.0252 27.5033 11.9702 48.9583 10.8654 3.7489 0.3285 15.9120 1.5418 1.2073 15.5652 1.8600 31.3016 11.7755 16.6717 5.6035 6.9972 3.3045 1.9244 0.6836 102.1966
0.1116 0.4493 1.1962 1.1391 4.1056 2.5922 9.6436 3.5354 4.5001 0.5541 1.5683 1.7993 1.2846 1.3800 4.4617 1.9433 1.1230 0.4933 0.4609 6.2427 1.2612 1.3961 1.3670 2.5058 2.0964 3.1549 3.0628 2.8241 1.1994 0.5181 0.7329 1.8998 1.8008 0.2680 2.7263 2.2688 0.4501 0.2585 0.3728 0.3600 5.6645 1.5319 0.7262 0.4459 0.7548 3.5446 0.5950 2.9279 1.5840 5.4429 5.3573 2.1969 1.2425 1.6874 1.6320 0.6980 1.6936 1.3563 2.6259 1.3623 15.8568 7.6073 3.0399 1.4886 0.6115 0.9580 0.8330 5.5813 1.4718 0.9854 0.3620 9.0197 2.8952 2.2719 1.2957 0.5165 1.1405 1.9729 15.9060 25.2015 30.1769 7.1597 0.6765 0.6706 13.9315 4.7308 1.3344 0.1164 14.6494 14.0603 2.8571 1.6617 0.2788 4.6178 1.5922 2.0224 5.4924 2.1167 9.1247 15.9318 3.3954 3.7766 2.7811 5.3003 3.3837 2.0001 3.4265 2.7610 6.7024 8.9064 4.2109 3.4555 19.6592 5.1158 2.1498 1.1789 8.3023 0.8099 4.1062 19.4800 8.8070 3.9702 5.8140 6.2574 5.5047 0.9815 1.5985 14.1493 9.8575 0.6305 14.9516 3.9991 2.3116 20.7707 11.9321 6.0492 46.4735 33.4386 24.0085 42.4714 2.1777 19.8339 110.4560 84.5579 52.7612 77.5516 66.8441 38.2842 114.0557 57.2050 7.1806 56.2909 83.8443 167.1447 108.6230 161.5049 115.3248 141.8145 97.4623 63.7231 58.6494 78.7680
0.7301 0.7490 0.7466 0.7500 0.7492 0.6933 0.7410 0.7483 0.7482 0.6290 0.6613 0.7500 0.4534 0.4510 0.6878 0.7407 0.5212 0.5067 0.4040 0.5595 0.5242 0.6690 0.5835 0.4520 0.6569 0.5867 0.4591 0.2619 0.3897 0.2417 0.6291 0.2534 0.1685 0.7016 0.4929 0.7030 0.4635 0.5793 0.4956 0.5740 0.2681 0.0582 0.6315 0.4082 0.5299 0.4701 0.5595 0.5764 0.3502 0.7500 0.4694 0.7261 0.7005 0.7120 0.6309 0.6390 0.0655 0.2655 0.7332 0.1119 0.0614 0.1511 0.6856 0.7198 0.4466 0.6649 0.6561 0.2091 0.7497 0.7216 0.6962 0.1387 0.5914 0.2768 0.3680 0.7433 0.6697 0.2767 0.2537 0.1080 0.1353 0.1416 0.1698 0.7372 0.2726 0.0909 0.7498 0.7218 0.0749 0.1776 0.2944 0.4798 0.4351 0.5696 0.7277 0.6457 0.7284 0.5605 0.6278 0.0591 0.3306 0.5179 0.6974 0.5044 0.2926 0.5613 0.5967 0.3723 0.4107 0.3646 0.0767 0.1771 0.3153 0.4844 0.5171 0.7499 0.4269 0.7314 0.7465 0.1136 0.7251 0.1647 0.6204 0.7495 0.7493 0.7432 0.7500 0.6882 0.7498 0.4667 0.1141 0.3559 0.5001 0.4055 0.6070 0.7490 0.5782 0.4904 0.7110 0.5832 0.4913 0.1718 0.1299 0.3429 0.4805 0.4202 0.4480 0.1787 0.5572 0.7440 0.4716 0.5286 0.3089 0.2335 0.7322 0.1592 0.1065 0.2335 0.1223 0.1472 0.2009 0.1967
0.8440 0.8565 0.8549 0.8571 0.8566 0.8189 0.8513 0.8560 0.8560 0.7723 0.7961 0.8571 0.6239 0.6217 0.8150 0.8510 0.6853 0.6726 0.5755 0.7176 0.6878 0.8017 0.7370 0.6226 0.7930 0.7396 0.6293 0.4151 0.5608 0.3893 0.7724 0.4043 0.2884 0.8246 0.6603 0.8256 0.6334 0.7336 0.6628 0.7294 0.4228 0.1100 0.7741 0.5797 0.6927 0.6395 0.7176 0.7313 0.5187 0.8571 0.6389 0.8413 0.8239 0.8318 0.7737 0.7797 0.1230 0.4196 0.8461 0.2013 0.1156 0.2626 0.8135 0.8370 0.6174 0.7987 0.7924 0.3458 0.8570 0.8383 0.8209 0.2436 0.7432 0.4336 0.5380 0.8527 0.8022 0.4335 0.4047 0.1950 0.2384 0.2481 0.2903 0.8487 0.4284 0.1666 0.8570 0.8384 0.1393 0.3016 0.4548 0.6485 0.6064 0.7258 0.8424 0.7847 0.8428 0.7183 0.7714 0.1116 0.4969 0.6824 0.8217 0.6705 0.4528 0.7190 0.7474 0.5426 0.5823 0.5343 0.1425 0.3010 0.4794 0.6527 0.6817 0.8571 0.5983 0.8449 0.8549 0.2040 0.8407 0.2828 0.7657 0.8568 0.8567 0.8527 0.8571 0.8153 0.8570 0.6364 0.2048 0.5249 0.6668 0.5770 0.7555 0.8565 0.7328 0.6581 0.8311 0.7368 0.6589 0.2932 0.2299 0.5107 0.6491 0.5917 0.6188 0.3032 0.7157 0.8532 0.6409 0.6916 0.4719 0.3785 0.8454 0.2746 0.1926 0.3787 0.2180 0.2566 0.3346 0.3288
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
6 6 6 6 6 6 16 8 8 6 1 6 1 6 6 6 6 6 6 6 6 7 6 8 7 6 6 6 6 6 6 6 9 9 9 7 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 14.00307 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
14077.8804 25546.1191 34423.0070
0.99975 0.02245 0.00091 -0.02244 0.99974 -0.00325 -0.00098 0.00323 0.99999
1
0.00615 0.00339 0.00252
0.12820 0.07065 0.05243
11.54 17.33 23.24 41.11 51.56 70.61 80.03 86.24 101.43 111.13 129.11 142.10 175.73 190.78 205.07 250.66 268.17 290.72 299.51 308.80 324.04 334.36 383.96 388.54 441.72 461.63 501.13 504.01 512.94 526.62 564.08 587.51 626.68 648.66 654.80 659.55 691.96 704.62 715.03 730.81 760.09 781.91 825.61 861.35 874.29 895.65 913.18 927.61 957.13 966.17 992.44 1008.98 1020.94 1036.58 1071.29 1089.81 1116.57 1123.09 1144.48 1158.80 1170.00 1196.16 1211.27 1230.49 1244.15 1248.98 1300.27 1341.42 1381.42 1389.76 1412.66 1425.14 1431.81 1460.11 1475.57 1498.98 1544.14 1548.90 1562.74 1566.79 1567.94 1573.01 1607.92 1608.81 1614.30 1615.72 1630.09 1645.37 1646.81 1651.62 1705.38 1706.23 1707.72 1736.38 1741.51 1753.29 1769.58 1776.16 1781.77 1806.63 1845.03 1869.95 1877.51 1899.22 1902.24 1938.17 1939.57 1945.02 1954.97 1961.48 1973.88 1995.72 2014.75 2034.35 2067.07 2097.96 2104.07 2117.25 2120.44 2141.38 2150.19 2184.99 2217.33 2266.52 2300.64 2319.41 2336.21 2342.80 2379.00 2380.88 2391.06 2405.01 2406.16 2510.15 2561.79 2564.47 2575.64 2598.28 2608.52 2625.12 2698.88 2800.82 4628.78 4663.58 4692.78 4823.26 4823.51 4829.19 4850.33 4854.56 4859.24 4859.46 4863.55 4872.66 4876.19 4889.34 4897.75 4904.28 4909.67 4929.76 4956.76 5552.73
0.452208
0.480735
0.481679
0.387354
-2153.367117
-2153.338590
-2153.337646
-2153.431971
3.163676D-04
MUNgauss
RevisionA1.9
retrievium
23-Nov-2019
DUDE c1ccc(cc1)S(=O)(=O)[C@@H]([C@@H]2c3ccccc3CCN2C(=O)Nc4cccc(c4)C(F)(F)F)[N+](=O)[O-] C03128260
RHF
6-31G(d)
(6D,10F)
C1
519.107531
|X|Y|Z|
108.931495 79.195868 39.418456
69.799428
26
|36.858105|
|13.743021|36.858105|
|7.942691|13.769047|36.858105|
|6.939990|7.985659|13.725353|36.858105|
|7.947411|6.841736|7.854695|13.712227|36.858105|
|13.731501|7.901890|6.835950|7.980978|13.781878|36.858105|
|4.225263|4.748722|6.979817|10.800476|7.002536|4.756005|388.023441|
|3.709816|3.853002|4.982948|7.324947|6.458925|4.421171|94.578148|73.516695|
|3.693156|4.411378|6.463731|7.296914|4.946550|3.828588|94.508176|13.583262|73.516695|
|3.579533|3.901050|5.136274|6.642013|5.326790|3.983383|73.868278|13.081220|12.807402|36.858105|
|3.502913|3.614925|4.490155|6.000464|5.508212|4.084560|57.296226|13.007728|9.697674|17.716061|0.500000|
|2.808346|3.079633|3.872059|4.482712|3.743979|3.015173|47.364357|9.782848|11.072866|12.191706|0.238767|36.858105|
|2.784336|3.148617|4.026421|4.421038|3.546251|2.904371|46.463946|9.015229|13.063527|8.917334|0.173509|17.709256|0.500000|
|2.463140|2.627887|3.201818|3.757638|3.316270|2.690201|39.421404|9.846841|9.206159|7.361511|0.187991|12.455494|0.248721|36.858105|
|2.404800|2.577230|3.149957|3.677084|3.222288|2.616422|39.577592|10.634583|9.984460|5.738441|0.145313|7.540498|0.198911|13.668071|36.858105|
|2.113368|2.222337|2.626671|3.022446|2.765521|2.304187|29.601567|8.467774|7.370608|4.167179|0.112566|5.006208|0.132219|7.894768|13.809662|36.858105|
|1.932131|2.001235|2.314397|2.648846|2.495723|2.114494|24.562199|6.963258|5.904608|3.695857|0.104371|4.419370|0.111640|6.848587|7.967517|13.739155|36.858105|
|1.958105|2.021446|2.331236|2.672919|2.531830|2.147588|24.482451|6.711021|5.729139|4.030024|0.116812|4.997156|0.118737|7.943243|6.921311|7.963897|13.808466|36.858105|
|2.182298|2.276582|2.672341|3.090882|2.865656|2.392340|29.226512|7.622357|6.713627|5.388266|0.154630|7.491799|0.159810|13.675955|7.912993|6.828448|7.885450|13.682850|36.858105|
|2.106662|2.182693|2.510573|2.847666|2.683000|2.293071|25.110725|6.270743|5.732087|4.905228|0.144882|6.396974|0.137192|7.493705|4.999645|4.428915|5.028349|7.596800|12.575720|36.858105|
|2.377933|2.483151|2.876071|3.250384|3.020349|2.574523|28.027240|6.560065|6.270445|6.203947|0.181195|7.776116|0.157642|6.678974|4.487401|3.728369|3.863960|5.008426|7.565833|12.538163|36.858105|
|2.554612|2.764214|3.310907|3.666343|3.209639|2.705660|33.066192|7.135218|7.784393|7.845511|0.187946|13.088820|0.254775|7.712415|5.103718|3.923600|3.778509|4.542582|6.768854|7.734312|13.041758|53.358707|
|2.277558|2.492394|2.921559|3.074934|2.692370|2.346961|26.402841|5.717104|6.684126|5.260291|0.127147|7.659969|0.205265|5.593818|4.218383|3.406700|3.297808|3.848786|5.170717|5.924739|7.870359|18.660748|36.858105|
|2.021004|2.176401|2.483696|2.603748|2.346363|2.083309|21.657346|4.872765|5.425514|4.085945|0.104892|5.420013|0.142639|4.584150|3.581747|3.060105|3.083071|3.662122|4.687989|5.845423|7.104649|11.466480|15.900124|73.516695|
|2.346061|2.642275|3.131738|3.165004|2.685105|2.359215|26.895605|5.598778|7.309784|4.919957|0.113127|6.695557|0.220772|4.826002|4.001710|3.205896|2.977512|3.279452|4.151116|4.295149|5.225449|11.175498|13.911492|14.941142|53.358707|
|2.083867|2.344461|2.695907|2.649627|2.286469|2.061958|21.555336|4.607111|5.948607|3.630336|0.087055|4.511312|0.144893|3.656555|3.227991|2.720004|2.553846|2.756141|3.291663|3.413458|3.906456|7.075545|7.731810|11.893051|18.397014|36.858105|
|1.817510|2.007648|2.269067|2.258835|1.995622|1.812167|18.339195|4.068070|4.981698|3.034712|0.075341|3.771181|0.115737|3.310462|2.959708|2.590217|2.492271|2.698136|3.126768|3.282725|3.550591|5.927507|6.284082|11.643023|10.544593|13.690390|36.858105|
|1.658271|1.827966|2.029605|1.992857|1.776855|1.638084|15.782278|3.536226|4.297466|2.517511|0.063358|2.983826|0.090853|2.687696|2.480337|2.225456|2.146090|2.281622|2.560824|2.663911|2.834560|4.519378|4.341916|8.090327|6.993900|7.945868|13.787795|36.858105|
|1.680001|1.869251|2.057052|1.977534|1.755585|1.635874|15.318402|3.397439|4.213666|2.386924|0.059804|2.731066|0.084009|2.425564|2.273359|2.034802|1.938331|2.033879|2.273580|2.338555|2.525639|4.034026|3.705195|6.587243|6.179192|6.831564|7.900867|13.748158|36.858105|
|1.882994|2.131162|2.358787|2.224268|1.943940|1.812313|17.056740|3.694946|4.755004|2.647675|0.065211|2.979506|0.093512|2.555299|2.391269|2.098390|1.969096|2.060676|2.337325|2.386906|2.646875|4.349955|3.951806|6.642521|7.061386|7.924472|6.881668|7.995345|13.782505|36.858105|
|2.130570|2.437757|2.766919|2.618783|2.245027|2.060360|20.456898|4.318378|5.745061|3.276556|0.078617|3.766644|0.121550|3.072261|2.811088|2.394404|2.224878|2.350958|2.743286|2.801953|3.203924|5.568452|5.257857|8.238595|10.833963|13.740690|7.942481|6.912369|7.922981|13.748428|36.858105|
|1.866345|2.125631|2.305529|2.123961|1.862886|1.765947|15.794704|3.425263|4.409230|2.371291|0.058837|2.561564|0.079677|2.217991|2.113241|1.872125|1.749919|1.809988|2.026041|2.051340|2.267031|3.641863|3.123140|5.228132|5.313655|5.051103|4.460605|5.055722|7.608241|12.672446|7.650435|36.858105|
|1.670207|1.872598|1.998758|1.857528|1.657635|1.585083|13.711470|3.027701|3.763194|2.055519|0.051878|2.208095|0.067261|1.953225|1.864839|1.679780|1.588478|1.643807|1.816976|1.853558|2.024388|3.162782|2.688723|4.640939|4.353596|4.028397|3.853830|4.620863|6.928213|8.119469|5.315547|14.399370|97.533100|
|1.864656|2.140405|2.329532|2.128969|1.855001|1.757058|15.881713|3.448424|4.534912|2.308105|0.057049|2.483423|0.078319|2.179931|2.125612|1.889364|1.744556|1.776374|1.968791|1.951413|2.124274|3.413737|2.853171|4.709743|4.840056|4.370456|3.894210|4.303775|5.898395|8.127684|6.101472|14.364396|20.147281|97.533100|
|2.039775|2.345085|2.513590|2.270399|1.987022|1.902821|16.432084|3.520302|4.538523|2.468163|0.061188|2.586157|0.079714|2.198093|2.078833|1.829121|1.708402|1.773905|1.999938|2.036997|2.295586|3.683322|3.087262|5.095833|5.196362|4.605467|3.866649|4.068937|5.360864|8.120881|6.863490|14.381418|20.097648|20.166281|97.533100|
|3.923269|4.403000|5.670013|6.430272|5.133233|4.140322|49.845918|8.923746|10.256885|12.790141|0.256561|7.714226|0.191116|4.952969|4.070903|3.184007|2.913105|3.184018|4.072249|4.102475|5.567806|9.733171|5.352849|7.389469|7.134657|3.898758|3.139620|2.621677|2.538176|2.892627|3.650640|2.613939|5.051998|5.608634|6.321876|53.358707|
|3.775551|4.517850|5.894597|5.773939|4.402910|3.736867|43.574564|7.668785|10.658540|8.285860|0.168631|6.721026|0.197506|4.401323|3.790420|2.979319|2.689293|2.880375|3.593764|3.582636|4.638410|8.610089|5.472653|7.407302|8.331880|4.562166|3.477520|2.904007|2.874123|3.402311|4.469105|3.079544|5.786849|6.595632|7.584283|21.649669|73.516695|
|4.004722|4.228799|4.966131|5.622295|5.096585|4.310430|38.372208|7.697529|7.779208|8.331129|0.227646|5.668638|0.137295|4.134014|3.425684|2.807576|2.650395|2.933003|3.664450|3.879172|5.338823|8.006263|4.571292|6.763142|5.816221|3.363687|2.803319|2.386038|2.314276|2.600690|3.179459|2.381629|4.696023|5.057982|5.809636|21.896046|15.983346|73.516695|
|17.722400|8.930284|5.653081|4.987079|5.655343|8.926634|24.262004|5.482806|5.460727|3.001009|0.082328|2.437858|0.067219|2.167048|2.117687|1.889729|1.745346|1.769304|1.951732|1.901510|2.130415|3.079159|2.049182|3.277454|2.869282|1.903590|1.676474|1.545366|1.572920|1.755189|1.958353|1.756868|3.572644|3.946028|4.331963|4.481650|5.702997|6.073562|0.500000|
|8.905762|17.736973|8.938118|5.667020|4.937304|5.630763|27.871809|5.750469|6.869528|3.351063|0.085764|2.770922|0.079935|2.375341|2.337064|2.033829|1.838916|1.854957|2.075777|2.003971|2.269390|3.450305|2.346451|3.672692|3.438016|2.293343|1.965667|1.812356|1.878654|2.157326|2.436536|2.196013|4.357086|5.004180|5.521349|5.202675|7.281284|6.524748|0.215195|0.500000|
|5.640888|8.886960|17.768189|8.911695|5.616868|4.936848|47.363575|8.193167|13.241896|5.037578|0.116601|4.044767|0.123109|3.282199|3.258524|2.683112|2.337184|2.343601|2.696559|2.520064|2.881199|4.670817|3.107135|4.636577|4.715421|2.996816|2.476594|2.213610|2.265130|2.642321|3.136140|2.592773|4.967309|5.968497|6.373645|7.613935|11.550465|8.215154|0.124086|0.214240|0.500000|
|5.643893|4.938820|5.614220|8.896660|17.751567|8.900027|47.570977|13.121401|8.127679|5.351293|0.166973|3.792035|0.096696|3.505544|3.402451|2.962307|2.700256|2.742102|3.076425|2.849896|3.145719|4.402252|2.666506|4.167775|3.533250|2.201550|1.947419|1.728055|1.688854|1.846888|2.125015|1.753291|3.532281|3.918734|4.161471|6.467685|7.021002|8.517993|0.124153|0.107311|0.123907|0.500000|
|8.900799|5.630874|4.934192|5.663712|8.938248|17.735574|27.921921|6.874031|5.714401|3.443693|0.101047|2.688475|0.071225|2.457905|2.389260|2.147981|2.001442|2.035938|2.236830|2.160889|2.395798|3.342466|2.141156|3.430523|2.893245|1.874697|1.669471|1.517028|1.510399|1.657024|1.864441|1.615122|3.294009|3.606226|3.897818|4.798843|5.629963|6.691777|0.215102|0.123951|0.107275|0.214537|0.500000|
|2.574684|2.818786|3.531267|4.078847|3.427859|2.765803|46.233944|11.669089|13.238993|5.787711|0.138032|7.023524|0.212351|8.895013|17.746738|8.982340|5.670058|4.979648|5.635294|4.073290|3.922217|6.353368|3.982084|5.910057|5.477455|3.277069|2.936053|2.486251|2.322216|2.483268|2.930955|2.218701|4.360974|5.096291|4.923742|5.695098|7.177153|6.098982|0.062473|0.070978|0.103792|0.098031|0.069060|0.500000|
|2.038235|2.144333|2.514657|2.854496|2.619394|2.207815|27.164598|7.825242|6.981115|3.583350|0.096189|4.092304|0.112729|5.630445|8.947575|17.727954|8.890953|5.653475|4.929778|3.544091|3.096376|4.466966|2.934823|4.725468|3.873508|2.479940|2.370649|2.077511|1.922031|1.981146|2.229049|1.790298|3.627421|4.113048|3.926383|3.854146|4.795531|4.466591|0.050865|0.054823|0.071566|0.077409|0.057315|0.217125|0.500000|
|1.770332|1.820671|2.073400|2.346264|2.242773|1.931577|20.961749|5.952706|5.073037|3.074867|0.087360|3.537037|0.091327|4.939261|5.656350|8.899462|17.716052|8.937250|5.624912|4.107435|3.235637|4.261589|2.810777|4.770287|3.499180|2.263166|2.238714|1.964308|1.781705|1.795883|1.996995|1.609726|3.317753|3.621492|3.528048|3.413322|4.153479|4.121217|0.044814|0.046754|0.057988|0.067367|0.051280|0.124514|0.213849|0.500000|
|1.804800|1.846686|2.093597|2.374030|2.287370|1.975067|20.854269|5.669852|4.875227|3.424936|0.100808|4.076901|0.098347|5.652133|4.975697|5.657381|8.944490|17.698620|8.933008|7.109165|4.594001|5.393718|3.469453|6.122091|3.996114|2.527397|2.521485|2.159851|1.919875|1.924493|2.166083|1.695572|3.501011|3.723919|3.737256|3.848707|4.562644|4.752871|0.045725|0.047338|0.058183|0.068793|0.052583|0.107956|0.124221|0.215834|0.500000|
|2.023281|2.059775|2.329150|2.654288|2.576256|2.224265|22.647887|5.835189|5.076983|4.230854|0.131394|4.927706|0.109702|5.717061|4.228369|3.966364|4.682602|7.006061|8.876504|17.542925|8.881494|7.664749|4.535422|8.190000|4.747492|2.883671|2.800668|2.342435|2.082157|2.117378|2.437902|1.849941|3.802840|3.965496|4.154605|4.922885|5.568048|6.343692|0.051087|0.052474|0.063999|0.077176|0.059109|0.097415|0.090272|0.110962|0.207828|0.500000|
|1.919076|2.001107|2.280901|2.522699|2.362702|2.055833|21.823891|5.373023|5.179236|4.056125|0.114644|5.357724|0.124672|6.067447|4.418466|4.042777|4.623784|6.664816|8.951365|17.555091|8.926534|9.122016|6.110788|11.988769|5.946583|3.593897|3.615046|2.905113|2.484928|2.481053|2.880364|2.101301|4.299622|4.471950|4.630492|4.856223|5.792322|5.979280|0.048530|0.051695|0.064399|0.068699|0.053901|0.102317|0.091925|0.108376|0.185146|0.303135|0.500000|
|2.614586|2.681634|3.098373|3.610351|3.445579|2.897000|30.467970|7.234527|6.423727|7.046136|0.237075|7.135342|0.143727|6.100871|4.287462|3.579948|3.670472|4.611199|6.551462|8.845544|17.577386|12.540544|5.837021|9.227362|5.983411|3.378204|3.032184|2.495692|2.279892|2.417911|2.898946|2.121445|4.272469|4.502307|4.904571|8.491314|8.487342|11.465287|0.064613|0.067001|0.083932|0.101537|0.075131|0.105787|0.083539|0.086215|0.117801|0.220398|0.175019|0.500000|
|2.219968|2.310901|2.616233|2.875075|2.701608|2.369553|23.566482|5.487685|5.394426|4.843103|0.139303|5.677705|0.127943|4.918773|3.619028|3.119840|3.259767|4.108795|5.537457|8.833662|17.691682|12.528777|7.569107|14.270057|6.786907|3.914732|3.636196|2.919558|2.585703|2.682342|3.209378|2.287278|4.642516|4.743393|5.222309|6.564266|7.470813|8.660375|0.055973|0.059439|0.072959|0.077192|0.061763|0.090339|0.073948|0.078318|0.109933|0.205416|0.222083|0.303970|0.500000|
|2.648329|3.052632|3.714660|3.688941|3.026507|2.637763|31.281858|6.179538|8.696018|5.715116|0.124558|7.221794|0.256615|4.809163|4.070652|3.189872|2.894214|3.129732|3.949778|3.964647|4.924888|10.602081|9.465586|10.987302|26.033042|9.349779|5.765036|4.301331|4.077626|4.916887|7.632222|3.932255|7.108161|8.214515|9.017201|8.822977|15.206002|8.762156|0.065305|0.080760|0.117009|0.079751|0.064962|0.118042|0.079361|0.069374|0.077169|0.091289|0.107232|0.122096|0.126983|0.500000|
|1.761213|1.922591|2.174611|2.207200|1.970503|1.778330|18.184202|4.111038|4.853091|3.057577|0.077072|3.908221|0.116057|3.560633|3.126419|2.767823|2.720061|3.001617|3.479672|3.719889|3.885634|6.298205|6.781080|14.066847|9.590244|8.909074|17.805664|8.936513|5.638852|4.963426|5.653287|3.567020|7.160028|7.226097|7.180145|4.181325|5.837470|4.916323|0.045089|0.051812|0.065056|0.054066|0.045766|0.083826|0.069457|0.067679|0.078489|0.086976|0.118757|0.089588|0.111105|0.144090|0.500000|
|1.523649|1.662976|1.832670|1.812742|1.635125|1.512230|14.329821|3.265625|3.863110|2.269533|0.057971|2.674447|0.079925|2.482603|2.307796|2.113902|2.066732|2.195156|2.416584|2.521610|2.616242|4.032441|3.757797|7.249813|5.664367|5.657151|8.970411|17.725369|8.932418|5.673078|4.973061|4.111375|8.980824|8.159025|7.623774|3.171869|4.493574|3.818934|0.039620|0.045742|0.054976|0.044468|0.039170|0.063613|0.055037|0.053112|0.058446|0.062311|0.077407|0.064094|0.075243|0.098398|0.216485|0.500000|
|1.555030|1.720448|1.870399|1.793704|1.607061|1.510195|13.734790|3.078897|3.758916|2.106750|0.053359|2.368922|0.072028|2.141520|2.030585|1.844381|1.764848|1.839488|2.025290|2.078165|2.218260|3.459462|3.074188|5.523103|4.921092|4.933466|5.631946|8.898369|17.756062|8.909628|5.638329|7.018759|17.474908|12.744622|11.046041|3.035509|4.436257|3.660013|0.040733|0.048301|0.056868|0.042985|0.038934|0.057609|0.048812|0.045507|0.048587|0.052081|0.061229|0.056229|0.063176|0.092429|0.124121|0.214852|0.500000|
|2.384496|2.787642|3.187271|2.935073|2.470449|2.272548|22.436068|4.609181|6.362667|3.546849|0.083711|3.900064|0.127140|3.086653|2.836228|2.386305|2.192586|2.304241|2.702760|2.735638|3.189447|5.597302|4.938367|7.429924|9.981340|8.919679|5.646325|4.973000|5.644586|8.922686|17.723360|7.113452|10.962420|13.530508|17.173816|5.604321|9.534785|6.271620|0.060533|0.077988|0.102601|0.063921|0.056474|0.083549|0.061898|0.054536|0.058639|0.066531|0.076212|0.082194|0.087606|0.232942|0.124200|0.107875|0.124134|0.500000|
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