Version2.1
2021-01-25T12:28:19Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
18-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1cccc(c1)NC(=O)CN(c2cccc(c2)F)S(=O)(=O)c3ccc(cc3)SC C22395516
RHF
6-31G(d)
(6D,7F)
CCOc1cccc(c1)NC(=O)CN(c2cccc(c2)F)S(=O)(=O)c3ccc(cc3)SC
C01[X(C23H23F1N2O4S2)]
159
C1
534
CCOc1cccc(c1)NC(=O)CN(S(=O)(=O)c1ccc(cc1)SC)c1cccc(c1)F
CCOc1cccc(c1)NC(=O)CN(S(=O)(=O)c1ccc(cc1)SC)c1cccc(c1)F
CCOc1cccc(NC(=O)CN(c2cccc(F)c2)[S](=O)(=O)c3ccc(SC)cc3)c1
InChIKey=KHKSPSZEYBWHLZ-UHFFFAOYSA-N
InChI=1S/C23H23FN2O4S2/c1-3-30-20-9-5-7-18(15-20)25-23(27)16-26(19-8-4-6-17(24)14-19)32(28,29)22-12-10-21(31-2)11-13-22/h4-15H,3,16H2,1-2H3,(H,25,27)
InChI=1/C23H23FN2O4S2/c1-3-30-20-9-5-7-18(15-20)25-23(27)16-26(19-8-4-6-17(24)14-19)32(28,29)22-12-10-21(31-2)11-13-22/h4-15H,3,16H2,1-2H3,(H,25,27)/f/h25H
CCOc1cccc(c1)NC(=O)CN(c2cccc(c2)F)S(=O)(=O)c3ccc(cc3)SC
C01[X(C23H23F1N2O4S2)]
159
C01
534
CCOc1cccc(c1)NC(=O)CN(S(=O)(=O)c1ccc(cc1)SC)c1cccc(c1)F
CCO[C]1[CH][CH][CH][C]([CH]1)NC(=O)CN([S@]([O])(=O)[C]1[CH][CH][C]([CH][CH]1)SC)[C]1[CH][CH][CH][C]([CH]1)F
CCO[C]1[CH][CH][CH][C]([CH]1)NC(=O)CN([C]2[CH][CH][CH][C](F)[CH]2)[S]([O])(=O)[C]3[CH][CH][C]([CH][CH]3)SC
InChIKey=KHKSPSZEYBWHLZ-UHFFFAOYSA-N
InChI=1S/C23H23FN2O4S2/c1-3-30-20-9-5-7-18(15-20)25-23(27)16-26(19-8-4-6-17(24)14-19)32(28,29)22-12-10-21(31-2)11-13-22/h4-15H,3,16H2,1-2H3,(H,25,27)
InChI=1/C23H23FN2O4S2/c1-3-30-20-9-5-7-18(15-20)25-23(27)16-26(19-8-4-6-17(24)14-19)32(28,29)22-12-10-21(31-2)11-13-22/h4-15H,3,16H2,1-2H3,(H,25,27)/f/h25H
3528.4112595087
-2187.1009682
1-A
21456.9281
124
410
534
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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11.04528
-2.2340 0.0225 2.5613
3.3988
|XX|YY|ZZ|XY|XZ|YZ|
-168.8239 -176.4146 -217.1349 -6.7651 -0.6706 10.9101
|XX|YY|ZZ|XY|XZ|YZ|
18.6339 11.0432 -29.6771 -6.7651 -0.6706 10.9101
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-251.2379 -0.1176 36.8220 37.0415 13.7589 8.7720 -29.0224 27.3671 39.4906 -2.8092
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-17877.0288 -5459.1569 -2683.3430 -988.9461 -130.9207 -32.0788 218.4753 73.3572 14.3615 -4076.6506 -3826.4236 -1382.3159 137.2158 196.0031 22.7470
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5.7097 12.9005 19.1424 22.9621 26.9943 31.1832 44.1655 49.5771 68.0329 74.0649 82.2344 96.5356 100.9890 115.8157 134.3001 165.7065 174.3111 208.4277 230.5159 241.6712 254.0615 255.0903 262.0701 272.7480 276.1144 284.4467 297.2224 320.6068 325.4880 345.5978 370.0988 377.7584 382.7847 403.0181 449.5512 465.5071 481.9910 505.2719 511.4201 514.8216 523.8678 546.2048 563.3025 567.0951 579.8887 608.4190 641.3370 663.7032 673.1507 690.2829 694.0168 702.3604 710.2165 762.6378 766.3782 782.0384 788.5958 795.1132 831.5853 848.7719 852.6548 874.1605 890.3353 905.9829 917.4698 928.9108 942.1247 964.6480 967.9337 989.9522 1026.6903 1029.2979 1032.2347 1043.3013 1080.2803 1080.4477 1087.1405 1093.2699 1095.6283 1097.9593 1108.8326 1111.2533 1113.6711 1114.4972 1141.6488 1179.0065 1184.1706 1185.8546 1210.9481 1211.4037 1215.8813 1219.1577 1228.8661 1241.6049 1262.9805 1267.8766 1288.4384 1296.6279 1299.2954 1300.5447 1319.4192 1326.1859 1342.6898 1384.3432 1414.5623 1431.8410 1436.3011 1444.3291 1448.5670 1460.5337 1461.5806 1485.2368 1519.3190 1544.9286 1556.1878 1566.6042 1582.5783 1604.4789 1609.4447 1620.0516 1620.0907 1629.1531 1635.9465 1645.0626 1665.4316 1666.4195 1667.9247 1682.9061 1741.8223 1753.4623 1790.5108 1797.2128 1798.3445 1812.4926 1819.1149 1959.3372 3205.5501 3217.3411 3233.5122 3245.4386 3259.6118 3282.7800 3296.4342 3308.9372 3322.0705 3323.8446 3367.5521 3372.0526 3378.1016 3379.4059 3403.3340 3411.7486 3412.3408 3421.4170 3422.2182 3424.3075 3428.7444 3466.9240 3877.4490
5.5334 4.8328 5.5253 6.0875 5.3320 5.3171 4.2223 3.6472 6.6309 5.1897 7.3953 5.8159 6.0316 1.9646 5.9331 4.8060 5.9432 5.5051 4.3516 5.8488 2.6711 1.7807 3.5784 3.1284 4.1839 1.4882 5.4776 5.9276 6.4085 8.9984 3.0520 4.4883 3.7627 6.6885 2.9905 5.9456 5.6589 4.3363 3.1084 5.3831 4.1534 4.3078 7.9869 1.4949 4.8998 3.2882 4.0297 5.6382 5.6095 7.4841 7.1326 5.9156 5.3538 4.3235 2.0703 3.3087 4.2709 5.9425 6.8217 5.7849 5.0803 1.3376 1.7651 1.1037 2.7573 1.5350 1.2753 2.0783 2.1546 1.3998 1.4621 1.9931 2.3411 2.3690 1.4596 2.5708 4.2166 1.4466 5.1099 1.3901 1.3079 2.4697 1.3645 1.4338 2.2717 2.5391 6.6200 1.6924 2.6670 1.8075 2.3598 3.0218 2.9245 3.4699 2.4294 4.7182 1.7640 3.1722 1.5499 1.5171 1.7098 1.2666 2.2810 2.0723 2.3762 1.0980 1.6853 4.3700 3.4465 1.3256 1.4298 2.1343 1.1995 1.2415 2.3069 1.4427 1.4866 2.4197 2.7019 1.1972 1.0514 1.0411 1.0596 1.0566 2.4133 2.1059 2.2403 1.1834 2.2638 5.9279 4.9128 6.1496 4.0318 5.9393 5.0079 8.6322 1.0538 1.0395 1.0306 1.1095 1.0610 1.1023 1.1054 1.1069 1.1051 1.1090 1.0908 1.0925 1.0917 1.0902 1.0958 1.0934 1.0895 1.0948 1.0953 1.0941 1.0956 1.0937 1.0779
0.0001 0.0005 0.0012 0.0019 0.0023 0.0030 0.0049 0.0053 0.0181 0.0168 0.0295 0.0319 0.0362 0.0155 0.0630 0.0778 0.1064 0.1409 0.1362 0.2013 0.1016 0.0683 0.1448 0.1371 0.1879 0.0709 0.2851 0.3590 0.4000 0.6332 0.2463 0.3774 0.3248 0.6401 0.3561 0.7591 0.7746 0.6523 0.4790 0.8406 0.6716 0.7572 1.4932 0.2832 0.9708 0.7172 0.9766 1.4633 1.4976 2.1011 2.0241 1.7194 1.5911 1.4816 0.7164 1.1922 1.5649 2.2135 2.7794 2.4554 2.1761 0.6022 0.8244 0.5338 1.3675 0.7804 0.6669 1.1394 1.1893 0.8083 0.9080 1.2441 1.4697 1.5193 1.0036 1.7682 2.9362 1.0187 3.6140 0.9874 0.9475 1.7969 0.9971 1.0493 1.7445 2.0796 5.4693 1.4023 2.3042 1.5628 2.0554 2.6463 2.6020 3.1516 2.2831 4.4687 1.7253 3.1423 1.5416 1.5118 1.7537 1.3125 2.4228 2.3399 2.8015 1.3263 2.0484 5.3712 4.2610 1.6660 1.7996 2.7739 1.6314 1.7459 3.2916 2.0861 2.1937 3.6701 4.1236 1.8513 1.6260 1.6280 1.6708 1.6847 3.9438 3.4455 3.6720 1.9747 4.0467 10.7386 9.2797 11.7030 7.6823 11.4957 9.7640 19.5250 6.3802 6.3395 6.3487 6.8850 6.6419 6.9992 7.0769 7.1406 7.1855 7.2186 7.2880 7.3193 7.3399 7.3356 7.4780 7.4986 7.4742 7.5511 7.5580 7.5591 7.5889 7.7450 9.5482
0.2248 1.2455 0.2900 1.0214 0.6201 1.9295 0.3784 0.6810 1.1289 3.1411 4.7768 3.0663 6.9258 0.5152 4.1190 1.8987 0.0401 1.4712 1.5278 2.5534 1.5052 1.0958 5.0795 0.3762 1.7434 0.8633 9.8650 4.8120 3.8588 6.5324 2.8514 10.2415 0.2087 2.0570 0.7510 2.6824 10.0187 1.1749 3.0890 25.0739 5.9322 11.0274 4.9417 87.3851 31.9422 31.6148 36.0831 8.8180 3.8969 21.3773 110.8703 13.1630 22.7813 52.7818 4.2071 47.8535 23.0244 14.5933 51.7027 23.0810 15.1510 39.6380 3.8891 2.0762 176.3130 16.2627 5.4202 21.6624 55.7407 1.9930 26.6314 12.7932 53.5218 83.2470 3.3191 1.4277 6.7075 5.5282 0.0902 3.8671 2.0375 3.9813 0.8523 2.3699 6.6582 43.0043 90.1696 8.2407 60.2640 8.7565 29.5022 19.4126 11.8500 148.7533 30.2199 183.2826 17.7607 5.8102 154.8683 5.5748 157.6576 5.1854 76.0065 549.7956 84.4906 0.9810 56.8332 70.3172 204.7080 14.8844 11.7641 127.8971 8.3828 40.0957 30.5370 72.1579 128.0651 68.4120 28.7627 4.9418 9.7326 3.6590 26.0688 3.2127 327.9003 39.8708 116.0005 19.4561 217.3842 5.8481 126.4814 60.1928 51.7448 179.8371 441.3399 277.9020 29.7023 30.5326 24.0214 34.5652 21.5769 40.4082 50.0315 12.1241 7.7710 10.0989 21.1346 3.3002 5.1152 11.1562 8.2003 14.7845 5.8354 5.6782 0.2795 0.5043 4.0013 1.3875 35.7742
1.3714 4.2587 2.2497 2.7102 1.8548 2.7551 1.9272 2.5057 1.6656 3.8676 0.7982 0.2052 1.9379 0.7503 1.4351 0.2959 1.5281 3.1241 2.0999 1.1657 0.9524 2.3386 2.5904 1.2719 3.4973 0.6827 2.2230 1.6841 4.2661 2.2993 1.8449 0.8777 0.8060 0.2569 0.1500 3.4233 0.8260 0.5513 0.3184 0.7229 1.7208 0.6630 2.5612 1.8012 1.4619 0.2535 0.7176 0.8778 1.8428 7.7655 3.2203 2.1091 2.6992 7.3806 0.3747 3.3409 3.8708 12.1325 12.4821 10.1166 1.8053 1.1986 2.8877 0.0644 4.0619 0.9138 1.1792 2.3878 2.6312 0.9962 1.1396 2.2761 4.7522 3.7491 11.0907 18.7631 22.4176 9.0060 32.9877 2.6928 0.5368 0.7668 0.4679 0.8118 1.6685 5.2997 59.0312 4.6751 3.0171 5.4584 15.8608 1.8573 14.9784 10.5666 8.2191 22.9027 3.8341 6.7649 8.0713 1.3781 0.7570 3.4033 2.4919 4.6410 5.1948 14.8368 1.3445 44.3007 4.1989 2.3658 4.9398 19.3694 3.3212 2.0133 0.3645 2.0727 8.8263 2.2732 5.5182 8.6851 23.8698 23.8572 10.7632 19.0699 2.9257 1.6523 5.0360 7.8069 19.4219 4.5653 153.4459 6.4427 32.9783 33.7033 33.4332 47.5118 32.3809 174.9485 121.4954 66.0136 95.2852 92.8528 38.6679 50.8364 128.5061 47.0737 53.9650 81.3791 73.2763 84.5576 163.0740 111.9762 36.9505 56.2529 63.6638 59.2858 121.0255 55.6035 47.5827
0.7461 0.7486 0.7469 0.7033 0.7478 0.7408 0.7489 0.7497 0.7496 0.7259 0.7390 0.7430 0.6971 0.7221 0.6237 0.6997 0.3459 0.2008 0.4551 0.7448 0.3933 0.5992 0.5068 0.2936 0.6274 0.7482 0.6090 0.4675 0.6677 0.3209 0.2730 0.6861 0.3997 0.7240 0.3335 0.5929 0.7449 0.3876 0.7341 0.7144 0.6629 0.5171 0.4560 0.6233 0.7387 0.7402 0.2511 0.7491 0.4560 0.6635 0.4476 0.5150 0.2693 0.1369 0.6408 0.2096 0.1941 0.2851 0.0589 0.1079 0.5363 0.7429 0.7153 0.7431 0.7191 0.7313 0.6861 0.7342 0.7492 0.7421 0.6051 0.1820 0.4308 0.6918 0.3414 0.1639 0.2368 0.7223 0.1062 0.1019 0.7468 0.2141 0.7259 0.1899 0.7245 0.4074 0.1844 0.6506 0.0815 0.2619 0.1151 0.6135 0.5546 0.6740 0.4005 0.0649 0.1611 0.2548 0.3661 0.7497 0.7498 0.2018 0.3091 0.5442 0.1279 0.7500 0.7500 0.2259 0.4519 0.5424 0.3166 0.3030 0.7165 0.3562 0.7457 0.2949 0.6258 0.3029 0.6143 0.7484 0.7482 0.7495 0.5863 0.6832 0.5760 0.3996 0.5360 0.4942 0.4547 0.7499 0.4685 0.6155 0.5426 0.6124 0.5671 0.2642 0.3665 0.0158 0.0281 0.7500 0.0543 0.7292 0.7496 0.7449 0.6277 0.7424 0.4786 0.3033 0.3513 0.5645 0.2512 0.2187 0.7498 0.2379 0.1596 0.2343 0.1589 0.2181 0.1229
0.8546 0.8562 0.8551 0.8258 0.8557 0.8511 0.8564 0.8569 0.8569 0.8412 0.8499 0.8526 0.8216 0.8386 0.7683 0.8233 0.5140 0.3345 0.6255 0.8537 0.5645 0.7494 0.6727 0.4540 0.7710 0.8560 0.7570 0.6372 0.8008 0.4859 0.4289 0.8138 0.5711 0.8399 0.5001 0.7444 0.8538 0.5587 0.8467 0.8334 0.7973 0.6817 0.6264 0.7680 0.8497 0.8507 0.4014 0.8565 0.6264 0.7977 0.6184 0.6799 0.4244 0.2408 0.7811 0.3466 0.3251 0.4437 0.1112 0.1948 0.6982 0.8525 0.8340 0.8526 0.8366 0.8448 0.8138 0.8467 0.8566 0.8520 0.7540 0.3080 0.6022 0.8178 0.5090 0.2817 0.3829 0.8387 0.1921 0.1849 0.8551 0.3527 0.8412 0.3192 0.8402 0.5790 0.3114 0.7883 0.1507 0.4151 0.2064 0.7604 0.7135 0.8053 0.5719 0.1218 0.2774 0.4061 0.5360 0.8569 0.8570 0.3358 0.4723 0.7048 0.2268 0.8571 0.8571 0.3686 0.6225 0.7033 0.4809 0.4651 0.8349 0.5253 0.8544 0.4555 0.7699 0.4650 0.7611 0.8561 0.8560 0.8568 0.7392 0.8118 0.7309 0.5710 0.6979 0.6615 0.6251 0.8571 0.6381 0.7620 0.7034 0.7596 0.7237 0.4180 0.5364 0.0311 0.0546 0.8571 0.1029 0.8434 0.8569 0.8538 0.7713 0.8522 0.6473 0.4654 0.5199 0.7217 0.4015 0.3589 0.8570 0.3843 0.2753 0.3796 0.2743 0.3582 0.2189
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
6 6 8 6 6 6 6 6 6 7 6 8 6 7 6 6 6 6 6 6 9 16 8 8 6 6 6 6 6 6 16 6 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 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 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 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
11352.7278 31184.7893 35478.2915
1.00000 -0.00233 0.00089 0.00230 0.99946 0.03273 -0.00096 -0.03273 0.99946
1
0.00763 0.00278 0.00244
0.15897 0.05787 0.05087
8.22 18.56 27.54 33.04 38.84 44.87 63.54 71.33 97.88 106.56 118.32 138.89 145.30 166.63 193.23 238.41 250.79 299.88 331.66 347.71 365.54 367.02 377.06 392.42 397.27 409.26 427.64 461.28 468.30 497.24 532.49 543.51 550.74 579.85 646.80 669.76 693.48 726.97 735.82 740.71 753.73 785.87 810.47 815.92 834.33 875.38 922.74 954.92 968.51 993.16 998.54 1010.54 1021.84 1097.27 1102.65 1125.18 1134.61 1143.99 1196.47 1221.19 1226.78 1257.72 1280.99 1303.51 1320.03 1336.50 1355.51 1387.91 1392.64 1424.32 1477.18 1480.93 1485.16 1501.08 1554.28 1554.52 1564.15 1572.97 1576.36 1579.72 1595.36 1598.85 1602.32 1603.51 1642.58 1696.33 1703.76 1706.18 1742.28 1742.94 1749.38 1754.10 1768.06 1786.39 1817.15 1824.19 1853.78 1865.56 1869.40 1871.19 1898.35 1908.09 1931.83 1991.76 2035.24 2060.10 2066.52 2078.07 2084.16 2101.38 2102.89 2136.92 2185.96 2222.81 2239.01 2253.99 2276.98 2308.49 2315.63 2330.89 2330.95 2343.99 2353.76 2366.88 2396.18 2397.61 2399.77 2421.33 2506.09 2522.84 2576.15 2585.79 2587.42 2607.77 2617.30 2819.05 4612.07 4629.04 4652.30 4669.46 4689.85 4723.19 4742.83 4760.82 4779.72 4782.27 4845.16 4851.63 4860.33 4862.21 4896.64 4908.75 4909.60 4922.66 4923.81 4926.81 4933.20 4988.13 5578.78
0.459708
0.488415
0.489360
0.393170
-2186.641260
-2186.612553
-2186.611608
-2186.707798
3.226228D-04
MUNgauss
RevisionA2.0
retrievium
25-Jan-2021
DUDE CCOc1cccc(c1)NC(=O)CN(c2cccc(c2)F)S(=O)(=O)c3ccc(cc3)SC C22395516
RHF
6-31G(d)
(6D,10F)
C1
474.108329
|X|Y|Z|
65.950767 44.778844 122.891154
71.329818
23
|36.858105|
|12.574191|36.858105|
|8.081621|13.543479|73.516695|
|5.232395|7.980610|25.153666|36.858105|
|4.398831|6.693070|13.985307|13.739995|36.858105|
|3.340046|4.502714|9.271668|7.989156|13.727508|36.858105|
|2.969941|3.770176|8.189616|6.821707|7.849247|13.803576|36.858105|
|3.199409|3.973312|9.414595|7.900791|6.833540|7.998628|13.663411|36.858105|
|4.098572|5.258418|14.647929|13.712195|7.930173|6.949967|7.915749|13.761480|36.858105|
|2.721217|3.178795|7.228583|5.193769|4.540786|5.146661|7.715246|13.510608|8.014785|53.358707|
|2.291369|2.627470|5.661680|3.899119|3.667251|4.318608|6.263518|7.637987|5.187264|19.148712|36.858105|
|2.149321|2.484871|5.201052|3.601942|3.600713|4.477657|6.531372|6.496155|4.458376|11.434942|15.882033|73.516695|
|2.054168|2.277975|4.826533|3.138033|2.901122|3.236035|4.206562|5.029995|4.017523|10.756938|12.465603|14.206622|36.858105|
|1.815800|1.993875|4.115027|2.628755|2.492270|2.782111|3.476094|3.867728|3.199541|7.139061|7.643535|11.972330|13.119981|53.358707|
|1.625659|1.775001|3.593396|2.272004|2.196065|2.455421|2.983342|3.174507|2.675468|5.462701|5.426765|9.495100|7.615105|18.133571|36.858105|
|1.494324|1.607659|3.223937|1.996590|1.918561|2.099686|2.475956|2.645738|2.315392|4.414022|4.019846|6.872028|5.459256|10.581857|13.730935|36.858105|
|1.366637|1.465727|2.901727|1.786585|1.737301|1.899706|2.199184|2.297655|2.031029|3.698425|3.266610|5.770092|4.068929|6.985599|7.955154|13.738889|36.858105|
|1.343514|1.450838|2.854882|1.770163|1.747787|1.934658|2.234377|2.277193|1.992452|3.597461|3.194168|5.873459|3.748869|6.164657|6.861054|7.906719|13.765371|36.858105|
|1.438798|1.572627|3.107666|1.957267|1.952483|2.204762|2.590307|2.595291|2.213557|4.115742|3.793726|7.296475|4.297761|7.053986|8.023335|6.929502|8.030466|13.816585|36.858105|
|1.589258|1.751554|3.511722|2.243374|2.222596|2.539687|3.084090|3.131362|2.595340|5.171304|5.143207|10.060200|6.006259|10.704489|13.718012|7.898260|6.863991|7.886855|13.838992|36.858105|
|1.393565|1.529232|2.990855|1.887042|1.915071|2.180091|2.522784|2.453913|2.096787|3.758190|3.369733|6.689161|3.557721|5.458779|5.313430|4.670817|5.315985|8.170690|14.329735|8.183114|97.533100|
|1.789517|1.946876|3.991483|2.508795|2.366880|2.590967|3.137616|3.486282|3.003839|6.041542|5.656116|9.253553|7.158868|15.725978|7.101448|5.759690|4.141262|3.615271|3.909198|5.151466|7.207062|388.023441|
|1.635765|1.747789|3.539624|2.170453|2.039349|2.186149|2.564593|2.837326|2.545979|4.742775|4.123821|6.754504|5.299274|10.258906|6.085386|6.093894|4.362742|3.570608|3.589271|4.356934|6.575015|94.638757|73.516695|
|2.037191|2.229212|4.663878|2.950005|2.716911|2.938061|3.594726|4.188010|3.633603|7.374779|6.387225|9.725669|7.064355|10.665324|5.039898|4.186094|3.235033|2.926992|3.192649|4.080196|6.171819|94.477387|13.689324|73.516695|
|1.654832|1.811570|3.634195|2.293714|2.240245|2.497056|2.965319|3.086556|2.645064|4.957672|4.591594|8.659650|4.898264|9.541591|5.916138|4.821753|3.859247|3.593957|4.000411|5.103526|7.632840|76.832381|13.138332|12.900212|36.858105|
|1.482560|1.604096|3.170481|1.966960|1.929083|2.120977|2.445946|2.520466|2.220428|3.935709|3.478230|6.495927|3.775198|6.985305|4.974617|4.567850|3.872703|3.568862|3.764582|4.391776|7.242311|49.650054|11.780020|8.972207|13.727967|36.858105|
|1.396130|1.511949|2.949350|1.826046|1.819517|2.006194|2.270712|2.279943|2.020199|3.444727|2.979225|5.725657|3.087486|5.321812|3.927458|3.636496|3.307612|3.207618|3.406536|3.776075|6.900680|33.764032|7.966776|6.884550|7.968011|13.811095|36.858105|
|1.439926|1.574760|3.057906|1.911363|1.936449|2.164837|2.440130|2.386561|2.093894|3.525311|3.042720|6.074139|2.991848|4.947102|3.584416|3.181336|2.923871|2.947150|3.260302|3.642651|6.884039|29.878533|6.592548|6.522910|6.874679|7.912508|13.668448|36.858105|
|1.596983|1.770464|3.469524|2.208165|2.252582|2.570030|2.956136|2.852151|2.440376|4.208347|3.711113|7.734721|3.471451|5.657613|3.897458|3.267329|2.920303|2.962380|3.410613|4.021247|7.214833|33.711758|6.818103|7.666132|7.958877|6.861629|7.923635|13.692745|36.858105|
|1.731297|1.925080|3.849334|2.474247|2.473576|2.828812|3.382511|3.376297|2.823470|5.224514|4.854762|10.070308|4.559947|7.815741|4.918676|3.894665|3.287946|3.240249|3.771428|4.795755|7.610150|49.589214|8.790103|10.976114|13.750582|7.909271|6.870459|7.917383|13.776503|36.858105|
|1.306831|1.422069|2.716112|1.680186|1.721670|1.908850|2.090279|2.014483|1.800088|2.895688|2.418842|4.787991|2.358985|3.724484|2.759171|2.535135|2.428599|2.496480|2.707809|2.868511|5.967520|21.493630|4.956960|4.886087|4.195659|4.762621|7.065349|10.749803|6.795690|4.675541|388.023441|
|1.359034|1.493606|2.829587|1.763245|1.843777|2.067940|2.230564|2.089167|1.860446|2.921762|2.408343|4.869056|2.258592|3.433775|2.502810|2.251051|2.154076|2.250954|2.500144|2.667037|5.678971|19.201772|4.305497|4.554682|3.560232|3.641916|4.614282|6.739697|6.216620|4.291047|75.002145|36.858105|
|17.576987|8.862857|12.948893|4.876993|4.018650|3.139919|2.860876|3.134599|4.016186|3.696027|2.278647|3.761272|2.068616|2.469727|1.629969|1.505148|1.377976|1.351918|1.442552|1.589205|3.137471|12.590407|2.893847|3.560942|1.620929|1.454697|1.363950|1.398094|1.544558|1.681247|9.005413|1.308504|0.500000|
|17.553801|8.875699|10.249710|4.238286|3.844119|3.003308|2.646297|2.771357|3.392062|3.246178|2.052102|3.467087|1.850152|2.253947|1.497443|1.382577|1.273520|1.256556|1.342764|1.471931|2.942560|11.628592|2.671998|3.272547|1.529896|1.381541|1.310525|1.354687|1.494321|1.603180|8.825699|1.295743|0.300440|0.500000|
|17.578119|8.863565|12.948671|4.884091|4.020374|3.142780|2.865223|3.141762|4.026975|3.701276|2.294164|3.804002|2.072351|2.506875|1.637243|1.509041|1.373597|1.342044|1.432236|1.586699|3.103153|13.099613|3.003119|3.766233|1.696440|1.520341|1.427875|1.467860|1.625359|1.766958|9.447273|1.375103|0.300943|0.300423|0.500000|
|8.846636|17.548470|16.533559|7.106467|6.792850|4.608112|3.750284|3.811182|4.804971|4.142217|2.562587|4.382479|2.205524|2.666012|1.743624|1.575511|1.437761|1.426504|1.549822|1.726644|3.400888|13.770847|3.079543|3.950351|1.829391|1.621039|1.538572|1.614952|1.821369|1.964220|10.417830|1.552191|0.173383|0.212511|0.212136|0.500000|
|8.847320|17.546820|16.531179|7.083602|6.784074|4.598838|3.740266|3.798040|4.786057|4.134497|2.540832|4.317235|2.200873|2.621313|1.734756|1.571004|1.442719|1.438315|1.562845|1.729789|3.446067|13.182204|2.961906|3.715155|1.735635|1.542104|1.459397|1.523352|1.709710|1.848364|9.833828|1.458223|0.212121|0.212557|0.173396|0.300996|0.500000|
|4.661678|7.382481|12.435699|8.853118|17.772422|8.925927|5.623723|4.936080|5.628462|4.922785|3.048423|5.390928|2.495115|2.981544|1.961190|1.734699|1.587395|1.601554|1.776563|1.992299|3.951481|14.932857|3.264955|4.225209|2.013989|1.760994|1.678376|1.789227|2.057021|2.216886|11.494071|1.742090|0.114647|0.117717|0.114554|0.224925|0.225640|0.500000|
|2.978403|3.899307|7.465636|5.676868|8.961820|17.712013|8.992595|5.678509|4.991405|5.662081|3.742019|7.195021|2.886744|3.480652|2.309433|1.984147|1.819438|1.874657|2.143067|2.432617|4.851491|16.984835|3.612541|4.702295|2.366291|2.035679|1.956681|2.136921|2.529507|2.710193|13.624213|2.114709|0.077588|0.076591|0.077625|0.113534|0.113415|0.217008|0.500000|
|2.547488|3.122542|6.508982|4.934641|5.615282|8.920239|17.838057|8.874674|5.639170|9.500064|6.808477|14.827791|4.434373|5.121366|3.282002|2.660875|2.372080|2.450567|2.913553|3.515474|6.458258|23.546964|4.741083|6.511531|3.227512|2.637861|2.462901|2.683558|3.312889|3.786118|16.219035|2.453914|0.068548|0.064166|0.068656|0.086987|0.086763|0.124116|0.216332|0.500000|
|4.141397|4.894275|13.622333|8.989322|5.664165|4.992194|5.620714|8.868601|17.717328|9.995028|4.845996|7.116953|4.054196|4.358530|2.655096|2.335682|2.034459|1.965960|2.151126|2.513125|4.528739|21.638068|4.669048|6.629280|2.596820|2.194962|1.976040|2.015559|2.315394|2.694717|12.297151|1.760297|0.116184|0.093671|0.116635|0.121201|0.120679|0.124236|0.108182|0.123625|0.500000|
|2.787026|3.168224|7.312585|4.947794|4.090715|4.315006|5.748685|9.365284|7.733932|26.069839|9.521491|10.905684|7.733839|6.885130|3.844220|3.219361|2.675098|2.544875|2.832707|3.494792|5.750066|31.336512|6.368550|9.799030|3.443260|2.782974|2.411077|2.419401|2.819964|3.478821|14.205168|1.987797|0.078310|0.067210|0.078280|0.082946|0.082974|0.092643|0.098487|0.143009|0.235886|0.500000|
|1.973269|2.180016|4.572861|2.950261|2.754210|3.068694|3.915615|4.535893|3.692837|8.966106|9.010599|11.973014|17.597545|12.658588|7.599138|5.650249|4.361512|4.084608|4.698151|6.387656|8.694987|38.244503|7.882163|9.005411|4.067646|3.319929|2.789358|2.705321|3.070282|3.831165|15.570727|2.104923|0.055729|0.049592|0.054733|0.058129|0.059322|0.066378|0.076913|0.115510|0.103120|0.179380|0.500000|
|2.142608|2.343335|5.024131|3.194355|2.855748|3.072258|3.877109|4.873833|4.158390|10.313109|8.792219|10.475715|17.626143|12.392107|5.864931|4.817023|3.640097|3.262830|3.558282|4.599436|6.746179|48.127974|9.645167|13.293986|4.379923|3.484442|2.847256|2.724591|3.098727|3.984346|15.497336|2.078570|0.060290|0.053205|0.060624|0.062544|0.062172|0.068369|0.075276|0.108061|0.123099|0.247962|0.303314|0.500000|
|1.499466|1.599599|3.214772|1.969890|1.869502|2.016603|2.360125|2.568299|2.290735|4.293146|3.780391|6.249604|5.223943|9.713700|8.930652|17.769722|8.884487|5.630503|4.985434|5.637238|8.321962|42.876294|13.128408|7.787222|4.635626|4.460430|3.478193|2.991372|3.046621|3.644573|17.038416|2.117876|0.042027|0.038466|0.042314|0.043473|0.043159|0.047014|0.052590|0.069159|0.065218|0.089411|0.144360|0.138525|0.500000|
|1.290127|1.372472|2.702172|1.646104|1.595937|1.725816|1.970627|2.064309|1.856360|3.277651|2.808814|4.912164|3.441256|5.662073|5.656465|8.932060|17.727573|8.942604|5.689041|4.948117|9.618413|25.517142|7.035677|5.118055|3.340088|3.454935|3.001552|2.631223|2.581326|2.853095|15.921283|1.976877|0.036206|0.033490|0.036078|0.037369|0.037508|0.040764|0.045977|0.058354|0.052012|0.066682|0.101543|0.088836|0.214468|0.500000|
|1.257249|1.352501|2.638867|1.625715|1.613120|1.776515|2.020357|2.041591|1.807193|3.159739|2.733114|5.039653|3.111264|4.911498|4.948137|5.615817|8.843264|17.742849|8.958884|5.640365|16.726455|21.450083|5.359692|4.471723|3.047861|3.090568|2.874227|2.666135|2.639102|2.803660|16.636276|2.119119|0.035166|0.032819|0.034817|0.036961|0.037377|0.041386|0.048178|0.061252|0.049494|0.062247|0.093793|0.076913|0.123468|0.213154|0.500000|
|1.680690|1.876683|3.772001|2.452973|2.466793|2.892849|3.593087|3.538668|2.840905|5.785230|6.002336|13.217269|6.124153|9.817176|8.878748|5.625219|4.950720|5.627954|8.919309|17.759958|16.630591|35.053400|7.017530|7.390667|5.090061|4.175671|3.699987|3.769045|4.401706|5.283380|21.065694|2.855954|0.046458|0.043188|0.046434|0.051587|0.051617|0.060956|0.077302|0.118409|0.074786|0.104089|0.174779|0.126778|0.123982|0.107499|0.124325|0.500000|
|1.428745|1.531671|3.025634|1.857043|1.803868|1.958520|2.244017|2.345599|2.097747|3.684553|3.199348|5.778890|3.618013|6.679117|4.883625|4.901409|4.131230|3.619441|3.625271|4.103723|6.853997|47.432315|13.818761|8.400058|8.921046|17.768077|8.926828|5.633134|4.950103|5.640678|28.050746|3.071249|0.039135|0.036991|0.040773|0.042768|0.040888|0.045876|0.052013|0.066368|0.058356|0.073860|0.089652|0.095238|0.139963|0.105258|0.087297|0.104291|0.500000|
|1.297617|1.395154|2.702226|1.657055|1.650310|1.802663|2.013569|2.023127|1.817478|3.030645|2.571087|4.872933|2.689028|4.527260|3.423268|3.319289|3.125210|3.023617|3.104351|3.298927|6.361252|27.905983|6.995621|5.807730|5.662939|8.960104|17.726026|8.889566|5.637138|4.951362|48.500452|4.242073|0.035276|0.033976|0.036866|0.039400|0.037476|0.042604|0.049021|0.060169|0.049625|0.059491|0.068735|0.069861|0.089243|0.080932|0.077010|0.088326|0.215628|0.500000|
|1.627022|1.818997|3.536601|2.265849|2.358366|2.726202|3.090846|2.885127|2.463268|4.115158|3.547471|7.570062|3.183410|4.921459|3.396973|2.858558|2.600113|2.684014|3.114957|3.609292|6.823391|27.943701|5.723317|6.706388|5.676155|4.951005|5.628642|8.858562|17.777536|9.002131|45.231617|7.363927|0.043467|0.042444|0.045815|0.052396|0.048962|0.060131|0.075871|0.097292|0.063942|0.075612|0.079296|0.079134|0.073994|0.064265|0.067404|0.112991|0.107560|0.123686|0.500000|
|1.904294|2.149215|4.353829|2.863543|2.872278|3.360529|4.169315|4.130616|3.322421|6.410008|6.133346|13.544388|5.168613|8.124112|4.794716|3.690528|3.099198|3.076869|3.643845|4.747126|7.450333|47.155051|8.042803|11.981738|8.904666|5.633566|4.954416|5.642745|8.943843|17.764892|27.465805|3.821216|0.051211|0.048658|0.053855|0.060972|0.057210|0.070268|0.088238|0.132007|0.086404|0.113945|0.117344|0.123006|0.096006|0.074610|0.074055|0.153757|0.124095|0.107560|0.217879|0.500000|
|1.275318|1.394368|2.619858|1.619346|1.695778|1.884444|2.004740|1.879358|1.693227|2.610651|2.123207|4.235934|2.005127|3.015261|2.215772|2.026336|1.964285|2.056429|2.252532|2.356962|5.165927|16.722270|3.822931|3.983517|2.986957|3.098827|3.849115|5.083122|4.608131|3.455243|57.844673|17.607392|0.034120|0.033948|0.035804|0.040271|0.037917|0.044898|0.053796|0.060715|0.044629|0.049669|0.052423|0.051671|0.053194|0.050616|0.054497|0.069378|0.074852|0.103055|0.144650|0.087240|0.500000|
|1.432350|1.578719|2.988685|1.864431|1.953653|2.186856|2.344867|2.192175|1.959211|3.033669|2.472248|4.981343|2.284662|3.430435|2.436448|2.178782|2.053863|2.119187|2.352809|2.555973|5.285848|19.511044|4.327618|4.755100|3.584637|3.556305|4.342280|6.229951|6.343201|4.433730|55.888962|17.616666|0.038092|0.037916|0.040399|0.045895|0.042593|0.051302|0.062066|0.071108|0.051341|0.057264|0.058518|0.058836|0.057505|0.052408|0.055078|0.076564|0.083212|0.108695|0.222876|0.112091|0.301024|0.500000|
|1.389864|1.537681|2.918763|1.834809|1.935123|2.202641|2.390096|2.204785|1.938343|3.078703|2.564974|5.301479|2.376727|3.598090|2.651490|2.347812|2.258036|2.404173|2.729255|2.907847|6.326511|19.510280|4.310739|4.606728|3.590782|3.563191|4.351753|6.241896|6.346962|4.437985|55.897888|17.616618|0.037237|0.036770|0.038850|0.044279|0.041934|0.050637|0.063077|0.074336|0.050552|0.057557|0.061969|0.059927|0.060494|0.056982|0.062814|0.088205|0.083337|0.108907|0.222276|0.112211|0.300996|0.298176|0.500000|
2184.592136
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2.001148
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