Version2.1
2021-01-06T18:43:49Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
19-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CC(C)C(=O)Nc1ccc(cc1OC)NC(=S)NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl C05944592
RHF
6-31G(d)
(6D,7F)
CC(C)C(=O)Nc1ccc(cc1OC)NC(=S)NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl
C01[X(C23H21Cl2N3O4S1)]
156
C1
549
COc1cc(ccc1NC(=O)C(C)C)NC(=S)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl
COc1cc(ccc1NC(=O)C(C)C)NC(=S)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl
COc1cc(NC(=S)NC(=O)c2oc(cc2)c3cc(Cl)ccc3Cl)ccc1NC(=O)C(C)C
InChIKey=OBALLYWIKSXNBT-UHFFFAOYSA-N
InChI=1S/C23H21Cl2N3O4S/c1-12(2)21(29)27-17-7-5-14(11-20(17)31-3)26-23(33)28-22(30)19-9-8-18(32-19)15-10-13(24)4-6-16(15)25/h4-12H,1-3H3,(H,27,29)(H2,26,28,30,33)
InChI=1/C23H21Cl2N3O4S/c1-12(2)21(29)27-17-7-5-14(11-20(17)31-3)26-23(33)28-22(30)19-9-8-18(32-19)15-10-13(24)4-6-16(15)25/h4-12H,1-3H3,(H,27,29)(H2,26,28,30,33)/f/h26-28H
CC(C)C(=O)Nc1ccc(cc1OC)NC(=S)NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl
C01[X(C23H21Cl2N3O4S1)]
156
C01
549
COc1cc(ccc1NC(=O)C(C)C)NC(=S)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl
CO[C]1[CH][C]([CH][CH][C]1NC(=O)C(C)C)[NH][C](=S)NC(=O)C1=[CH][CH]=C(O1)[C]1[CH][C]([CH][CH][C]1Cl)Cl
CO[C]1[CH][C]([CH][CH][C]1NC(=O)C(C)C)NC(=S)NC(=O)c2oc(cc2)[C]3[CH][C](Cl)[CH][CH][C]3Cl
InChIKey=OBALLYWIKSXNBT-UHFFFAOYSA-N
InChI=1S/C23H21Cl2N3O4S/c1-12(2)21(29)27-17-7-5-14(11-20(17)31-3)26-23(33)28-22(30)19-9-8-18(32-19)15-10-13(24)4-6-16(15)25/h4-12H,1-3H3,(H,27,29)(H2,26,28,30,33)
InChI=1/C23H21Cl2N3O4S/c1-12(2)21(29)27-17-7-5-14(11-20(17)31-3)26-23(33)28-22(30)19-9-8-18(32-19)15-10-13(24)4-6-16(15)25/h4-12H,1-3H3,(H,27,29)(H2,26,28,30,33)/f/h26-28H
3528.8618728194
-2662.4767305
1-A
32283.4106
131
418
549
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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9.72690
1.9185 1.6169 4.6057
5.2447
|XX|YY|ZZ|XY|XZ|YZ|
-157.4183 -228.5983 -220.3803 25.2137 -6.2784 -7.9445
|XX|YY|ZZ|XY|XZ|YZ|
44.7140 -26.4660 -18.2480 25.2137 -6.2784 -7.9445
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-139.7731 31.6061 12.8151 48.9900 -67.5057 50.3893 -17.0038 6.9211 57.1065 36.7873
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-31494.9492 -6905.6637 -1135.1799 773.5719 -125.5034 483.2557 -119.2470 1.6920 -49.3740 -6516.6799 -6269.3431 -1333.8058 138.1125 18.6008 0.9390
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505.06298
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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|
7.4592 10.0091 13.0109 15.8662 26.7978 33.6312 39.4750 45.5050 56.5566 72.8006 78.0918 94.8954 98.1430 110.1146 111.3391 126.7823 180.0962 185.3351 188.1416 207.1146 218.9986 230.6778 238.8497 244.1779 263.3585 282.5061 294.7561 304.8107 308.4244 313.6950 329.4100 342.7646 352.5274 361.0206 367.2631 391.2379 410.1044 444.5971 447.7957 459.6598 483.7249 510.8916 516.4468 560.3263 567.6078 580.8445 584.2260 616.7137 617.4861 643.5166 647.7134 653.8267 659.6556 698.5973 723.5676 732.0828 750.9954 759.5484 782.5934 811.2435 811.5333 838.6849 845.2586 856.2516 863.9797 881.6378 939.2181 943.9989 948.1064 958.0126 963.5233 990.6824 1019.0346 1027.3839 1032.2073 1035.0153 1036.9811 1045.4929 1053.5240 1092.7098 1093.8072 1096.4992 1123.5284 1143.9654 1168.7581 1196.2693 1213.2183 1220.3568 1220.6557 1223.4907 1232.9290 1240.5890 1265.3576 1270.2720 1289.1533 1293.7064 1314.1315 1328.6565 1331.3169 1353.7574 1360.4453 1370.8129 1378.7146 1387.4429 1407.4267 1426.0431 1447.3314 1471.2764 1478.3093 1504.8683 1539.9888 1550.4860 1551.3276 1569.5357 1583.7203 1632.7795 1637.0394 1638.4555 1647.1547 1647.2645 1649.3689 1658.3811 1660.2467 1674.3041 1686.4900 1710.6541 1725.5096 1752.7250 1757.6609 1793.1209 1809.0495 1816.4577 1821.6752 1954.5196 2017.5780 3202.2374 3207.6349 3214.9280 3219.9842 3266.3999 3270.2028 3290.7023 3295.5257 3301.8336 3332.4271 3379.0217 3400.7464 3415.9028 3425.3301 3439.6465 3466.8308 3468.1696 3483.9186 3837.2567 3852.7174 3899.7380
5.3133 9.7688 4.8669 4.8746 5.0970 11.7956 4.7632 5.7597 7.5482 5.1445 4.4861 5.7399 7.2240 5.3475 9.2762 6.0556 6.1856 7.1140 7.9492 4.1156 5.8123 8.1845 1.1556 1.7145 1.4909 2.7469 3.4962 3.5235 3.2945 2.6258 5.5611 7.5298 7.4717 9.2385 7.0007 4.9187 3.8561 1.7129 2.6328 3.0587 5.9473 3.4256 3.2322 3.9208 1.3614 7.5030 5.3640 6.1055 4.8529 1.3463 2.9565 5.1554 5.5749 7.7789 4.7600 6.9184 3.4564 5.4740 5.6317 4.3352 4.3056 6.7384 5.9329 5.5643 8.0880 4.5970 1.3572 2.9427 1.4661 1.7169 3.1947 1.5665 1.1307 1.4341 1.8249 3.2194 4.1548 4.7256 1.5844 1.5199 2.9607 1.3974 1.5209 5.9819 4.3957 4.3700 4.8161 2.5728 2.3572 1.6447 2.4689 2.1063 3.3547 1.6664 2.2659 1.2669 2.2757 1.9841 2.3509 1.9052 1.8433 2.2011 5.3084 2.8840 1.5725 1.8813 2.7633 1.3646 3.8084 3.2119 3.0465 1.4240 1.4117 1.2283 2.8026 1.0420 1.0502 1.4096 1.0533 2.5207 1.0537 1.0887 1.0999 1.9808 1.8199 4.3640 2.4395 1.8523 6.5045 5.6042 4.4503 5.9306 6.0622 8.1769 10.6168 1.0738 1.0367 1.0487 1.0329 1.1038 1.1031 1.1076 1.1028 1.1020 1.1045 1.0930 1.0909 1.0972 1.0929 1.0927 1.0980 1.0935 1.1011 1.0775 1.0770 1.0778
0.0002 0.0006 0.0005 0.0007 0.0022 0.0079 0.0044 0.0070 0.0142 0.0161 0.0161 0.0305 0.0410 0.0382 0.0678 0.0573 0.1182 0.1440 0.1658 0.1040 0.1642 0.2566 0.0388 0.0602 0.0609 0.1292 0.1790 0.1929 0.1846 0.1522 0.3555 0.5212 0.5471 0.7094 0.5564 0.4436 0.3821 0.1995 0.3111 0.3808 0.8199 0.5268 0.5079 0.7253 0.2584 1.4914 1.0787 1.3682 1.0902 0.3285 0.7308 1.2985 1.4293 2.2368 1.4683 2.1846 1.1486 1.8607 2.0322 1.6810 1.6707 2.7926 2.4975 2.4036 3.5571 2.1052 0.7054 1.5451 0.7765 0.9284 1.7474 0.9058 0.6918 0.8919 1.1456 2.0320 2.6324 3.0434 1.0361 1.0692 2.0870 0.9899 1.1312 4.6122 3.5377 3.6846 4.1766 2.2575 2.0694 1.4506 2.2112 1.9100 3.1647 1.5842 2.2187 1.2493 2.3155 2.0636 2.4550 2.0572 2.0100 2.4370 5.9452 3.2710 1.8353 2.2541 3.4105 1.7404 4.9037 4.2856 4.2568 2.0169 2.0017 1.7828 4.1417 1.6368 1.6583 2.2296 1.6838 4.0300 1.6889 1.7641 1.7864 3.2717 3.0497 7.5242 4.2793 3.3526 11.8396 10.6166 8.5810 11.5293 11.8529 18.4044 25.4627 6.4875 6.2843 6.3865 6.3100 6.9385 6.9502 7.0664 7.0566 7.0785 7.2264 7.3529 7.4330 7.5429 7.5553 7.6168 7.7752 7.7496 7.8745 9.3477 9.4190 9.6575
0.7195 0.7104 0.8303 0.0871 0.0322 5.5725 4.0976 3.2381 0.6165 1.4391 5.9476 0.3775 1.1899 3.5316 0.5367 4.5842 1.9075 1.4709 0.1131 0.7703 1.2265 0.2557 0.3445 1.3307 1.5371 5.5759 1.1314 1.0957 1.7233 1.4798 15.6913 2.0479 5.9551 11.2014 0.5070 18.0494 1.7385 25.0945 5.6883 11.5605 0.2205 2.0416 1.2226 17.0385 108.3996 15.2175 30.1347 18.1293 10.1637 59.5558 28.7138 2.3375 11.9262 33.8314 19.2068 2.3616 3.6972 4.5876 29.2305 15.1541 5.6424 48.8841 7.3699 3.2101 14.3102 2.5395 31.1319 34.0727 24.0317 35.3114 10.7762 29.8094 1.6875 4.3006 3.8025 2.0987 15.9920 79.6265 0.4885 14.3684 27.5512 3.3407 28.0852 106.1517 51.2526 6.0723 12.4014 6.2622 6.2168 29.8389 44.3897 52.5662 67.7105 9.0575 142.5672 3.8992 102.6588 32.7853 364.8712 205.3191 74.6758 227.3745 255.0135 113.5130 7.9551 66.3893 178.4242 1.5200 394.6733 1.8436 54.8466 32.6620 30.0915 3.7633 196.0754 0.5471 1.6258 13.6126 13.4315 123.9904 10.2959 41.3028 30.8066 53.6882 275.9072 243.4137 1375.4433 40.3924 6.9081 38.0235 40.6655 40.1042 70.9095 187.9097 394.4173 35.2104 44.3246 20.6877 44.5465 21.8491 73.4165 36.5289 3.2435 42.2282 39.2600 12.5004 0.7152 1.9400 0.0219 1.1378 0.6405 3.6292 2.0181 26.7174 81.0019 64.6253
0.3646 2.8022 0.8442 1.6786 1.1375 3.1683 0.1509 0.8506 3.0022 1.5701 1.8964 3.6235 3.9206 1.2783 0.1820 1.3571 2.4214 1.1942 2.7305 0.9300 1.6715 1.1711 0.1318 0.6313 0.8004 0.0687 1.0772 0.7113 2.3016 0.4633 0.3752 2.6154 1.9990 4.3596 5.5402 3.1730 3.7763 7.0891 2.6410 6.1544 0.7715 1.5423 4.0421 4.7897 4.5261 2.9949 7.0682 0.3558 1.6214 0.5283 1.0821 2.2465 1.1928 1.4361 3.3420 7.8896 17.8581 4.8754 6.9869 7.7094 4.8873 3.2332 0.3473 5.2538 17.7779 5.9669 1.1341 5.9077 1.5771 0.8106 12.8502 2.0585 0.0352 4.0258 14.0961 1.7560 5.4267 3.7995 7.5176 2.6452 8.1120 0.8360 116.0025 22.2966 6.7423 53.9720 15.5927 9.5285 8.3977 8.5652 6.4806 20.5529 4.9592 1.6298 6.0935 3.7988 8.9477 2.5876 32.4592 13.5642 5.6781 3.4611 25.6856 21.2121 12.3264 6.9124 41.8346 7.8723 67.0765 11.5383 39.7865 5.6670 4.8226 1.6946 7.8184 23.1649 6.1604 3.6404 28.9478 20.2753 19.0960 8.2949 11.3728 35.0333 62.4831 1015.9196 162.3106 102.6505 44.7361 518.2227 4.0667 331.4847 121.2997 35.1442 126.7523 53.3329 3.7121 227.3599 99.5916 33.0871 149.6109 38.5729 11.3800 80.8112 115.2748 78.6260 52.0653 171.8062 53.2189 39.8567 80.3850 54.3794 81.4001 60.7239 106.3404 51.0426
0.7284 0.7452 0.7465 0.7445 0.6193 0.6943 0.6820 0.7350 0.5561 0.6391 0.7137 0.7369 0.7444 0.6748 0.5619 0.7257 0.3318 0.7459 0.5329 0.7487 0.5265 0.5380 0.6295 0.6035 0.4410 0.5148 0.6759 0.4234 0.5036 0.3662 0.5147 0.4651 0.6948 0.3196 0.2360 0.5088 0.6850 0.4612 0.2655 0.4060 0.4469 0.3391 0.6045 0.3497 0.7042 0.7432 0.7352 0.4150 0.2995 0.4720 0.7137 0.6748 0.6938 0.7129 0.4604 0.3416 0.1610 0.2927 0.0721 0.2624 0.7016 0.6749 0.5304 0.5837 0.1240 0.5499 0.7500 0.1877 0.6892 0.3420 0.0203 0.6889 0.7414 0.7200 0.7115 0.7364 0.5808 0.5485 0.7500 0.6878 0.5320 0.7341 0.3265 0.1407 0.4096 0.5013 0.4678 0.2945 0.5941 0.4737 0.6381 0.1372 0.7484 0.5138 0.1783 0.7386 0.6959 0.5960 0.6272 0.4626 0.2146 0.4857 0.6284 0.7346 0.6305 0.6998 0.4398 0.7424 0.1262 0.3504 0.5498 0.1136 0.0854 0.5661 0.3335 0.7498 0.7500 0.2751 0.7313 0.3154 0.7474 0.3240 0.5529 0.3293 0.3766 0.2718 0.3818 0.2121 0.2453 0.3519 0.3490 0.5586 0.6160 0.3174 0.1933 0.5698 0.7462 0.0063 0.0212 0.7430 0.6724 0.7328 0.7487 0.7436 0.5182 0.3281 0.7364 0.2000 0.2701 0.2413 0.5364 0.2330 0.1945 0.1589 0.1675 0.1409
0.8429 0.8540 0.8549 0.8535 0.7649 0.8196 0.8110 0.8473 0.7147 0.7798 0.8329 0.8486 0.8535 0.8058 0.7195 0.8411 0.4983 0.8544 0.6953 0.8563 0.6898 0.6996 0.7726 0.7527 0.6121 0.6797 0.8066 0.5949 0.6698 0.5360 0.6796 0.6349 0.8199 0.4844 0.3819 0.6744 0.8131 0.6313 0.4196 0.5775 0.6178 0.5065 0.7535 0.5182 0.8264 0.8527 0.8474 0.5866 0.4610 0.6413 0.8329 0.8058 0.8192 0.8324 0.6305 0.5093 0.2774 0.4529 0.1345 0.4157 0.8246 0.8059 0.6932 0.7371 0.2206 0.7096 0.8571 0.3161 0.8160 0.5097 0.0397 0.8158 0.8515 0.8372 0.8314 0.8482 0.7348 0.7084 0.8571 0.8150 0.6946 0.8467 0.4923 0.2467 0.5812 0.6678 0.6374 0.4550 0.7454 0.6429 0.7791 0.2413 0.8561 0.6788 0.3026 0.8497 0.8207 0.7469 0.7709 0.6326 0.3533 0.6538 0.7718 0.8470 0.7734 0.8234 0.6110 0.8521 0.2241 0.5189 0.7095 0.2040 0.1574 0.7229 0.5002 0.8570 0.8571 0.4315 0.8448 0.4795 0.8554 0.4894 0.7121 0.4955 0.5472 0.4274 0.5526 0.3499 0.3939 0.5206 0.5174 0.7168 0.7623 0.4818 0.3240 0.7259 0.8547 0.0125 0.0414 0.8526 0.8041 0.8458 0.8563 0.8530 0.6827 0.4941 0.8482 0.3333 0.4254 0.3888 0.6982 0.3780 0.3256 0.2742 0.2869 0.2471
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 6 8 7 6 6 6 6 6 6 8 6 7 6 16 7 6 8 6 6 6 6 8 6 6 6 6 6 6 17 17 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 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 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
10574.8855 50769.0226 58811.8484
0.99997 -0.00684 -0.00222 0.00684 0.99998 -0.00030 0.00222 0.00028 1.00000
1
0.00819 0.00171 0.00147
0.17066 0.03555 0.03069
10.73 14.40 18.72 22.83 38.56 48.39 56.80 65.47 81.37 104.74 112.36 136.53 141.21 158.43 160.19 182.41 259.12 266.66 270.69 297.99 315.09 331.89 343.65 351.32 378.91 406.46 424.09 438.55 443.75 451.34 473.95 493.16 507.21 519.43 528.41 562.90 590.05 639.68 644.28 661.35 695.97 735.06 743.05 806.18 816.66 835.71 840.57 887.31 888.42 925.88 931.92 940.71 949.10 1005.13 1041.05 1053.30 1080.51 1092.82 1125.98 1167.20 1167.62 1206.68 1216.14 1231.96 1243.07 1268.48 1351.33 1358.20 1364.11 1378.37 1386.30 1425.37 1466.16 1478.18 1485.12 1489.16 1491.98 1504.23 1515.79 1572.17 1573.74 1577.62 1616.51 1645.91 1681.58 1721.16 1745.55 1755.82 1756.25 1760.33 1773.91 1784.93 1820.57 1827.64 1854.80 1861.35 1890.74 1911.64 1915.47 1947.75 1957.38 1972.29 1983.66 1996.22 2024.97 2051.76 2082.39 2116.84 2126.96 2165.17 2215.70 2230.80 2232.01 2258.21 2278.62 2349.21 2355.33 2357.37 2369.89 2370.05 2373.07 2386.04 2388.72 2408.95 2426.48 2461.25 2482.62 2521.78 2528.88 2579.90 2602.82 2613.48 2620.98 2812.12 2902.84 4607.31 4615.07 4625.56 4632.84 4699.62 4705.09 4734.59 4741.53 4750.60 4794.62 4861.66 4892.92 4914.72 4928.29 4948.88 4988.00 4989.92 5012.58 5520.96 5543.20 5610.85
0.440603
0.470877
0.471821
0.371038
-2662.036127
-2662.005854
-2662.004910
-2662.105693
3.380278D-04
MUNgauss
RevisionA2.0
retrievium
06-Jan-2021
DUDE CC(C)C(=O)Nc1ccc(cc1OC)NC(=S)NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl C05944592
RHF
6-31G(d)
(6D,10F)
C1
505.062984
|X|Y|Z|
28.924759 71.052855 162.475539
69.376612
21
|36.858105|
|12.430805|36.858105|
|7.518331|12.426934|36.858105|
|7.635479|12.493797|7.640814|36.858105|
|6.458907|8.010174|6.426147|15.862012|73.516695|
|5.457523|7.831809|5.489812|14.014306|14.967705|53.358707|
|4.010142|5.016480|4.028741|7.653915|11.642832|18.479170|36.858105|
|3.557277|4.193429|3.585327|6.262073|11.711114|10.504544|13.796823|36.858105|
|2.837382|3.219111|2.855577|4.301688|7.984528|6.966278|7.926836|13.687910|36.858105|
|2.562330|2.900137|2.571301|3.675088|6.439817|6.202473|6.851888|7.940576|13.871752|36.858105|
|2.714144|3.130003|2.715792|3.896092|6.413055|7.084234|7.881239|6.860670|7.948637|13.691118|36.858105|
|3.311638|3.989990|3.314509|5.157473|7.904382|10.874030|13.543838|7.933925|6.898506|7.967280|13.854501|36.858105|
|3.384292|4.115651|3.376371|4.832187|7.018263|9.964199|8.168541|5.291757|4.630630|5.203883|7.899395|14.058749|73.516695|
|2.763158|3.227433|2.776694|3.575712|5.440405|6.487591|5.242256|3.984697|3.802494|4.521073|6.740930|7.986647|24.121287|36.858105|
|2.159851|2.384193|2.161178|2.891306|5.142154|4.625453|4.529738|5.152830|7.886704|13.352041|7.786829|5.149438|6.973214|3.716460|53.358707|
|1.925444|2.130559|1.972278|2.512382|4.437404|3.962755|3.684012|4.001527|5.417602|7.652835|5.966026|4.229631|6.141270|3.448775|19.256615|36.858105|
|1.895804|2.138663|2.012521|2.481907|4.301593|3.944987|3.571980|3.673209|4.531420|5.992540|5.593393|4.202089|6.377376|3.715366|9.731497|11.546709|388.023441|
|1.723635|1.871574|1.744478|2.170310|3.878422|3.328402|2.978403|3.257806|4.228148|5.249256|4.282825|3.294023|4.975734|2.814058|11.563305|13.717792|50.314090|53.358707|
|1.543099|1.666229|1.566930|1.892680|3.363975|2.872497|2.490539|2.652267|3.249739|3.877961|3.426373|2.754158|4.330730|2.511272|7.284539|7.614873|41.658580|18.724253|36.858105|
|1.495922|1.621275|1.528887|1.821638|3.201315|2.777632|2.379779|2.468597|2.940344|3.535164|3.296079|2.676810|4.310555|2.565651|6.223111|6.419297|42.638278|11.302786|16.063454|73.516695|
|1.423033|1.518020|1.434968|1.711819|3.074527|2.549491|2.171660|2.336800|2.810750|3.176630|2.799357|2.335665|3.707380|2.123186|5.655380|5.099338|29.186779|10.849058|12.869516|14.583071|36.858105|
|1.295054|1.373851|1.305605|1.529441|2.741167|2.259308|1.889525|2.007629|2.347031|2.606785|2.365913|2.023519|3.276009|1.890372|4.397019|3.813502|23.644537|7.028561|7.445197|11.476306|14.206271|36.858105|
|1.244052|1.309180|1.247004|1.454832|2.629596|2.123982|1.763122|1.891346|2.194459|2.370060|2.133477|1.854951|3.001293|1.709645|3.915742|3.227852|19.855016|5.726143|5.181614|7.883852|8.603894|13.317049|36.858105|
|1.324993|1.392803|1.322858|1.562471|2.847783|2.276115|1.905829|2.080929|2.452223|2.616457|2.293557|1.984455|3.163710|1.776977|4.393112|3.536874|20.786511|6.436501|5.317462|7.521422|8.734878|8.558733|14.125655|36.858105|
|1.448648|1.535421|1.450577|1.742218|3.169216|2.568060|2.190488|2.410924|2.926123|3.194905|2.731579|2.303070|3.612983|2.026465|5.666770|4.715337|25.935942|9.628841|7.779585|9.616293|14.093178|8.622849|8.635153|14.112380|73.516695|
|1.311177|1.367574|1.301619|1.534042|2.825213|2.206672|1.834486|2.025886|2.364209|2.442804|2.128117|1.873673|2.982552|1.652749|3.980351|3.055671|18.091214|5.218786|3.947389|5.791649|5.373374|5.160831|7.309106|12.932918|14.194520|36.858105|
|1.389815|1.452161|1.385976|1.642948|3.059751|2.348666|1.961378|2.209975|2.600353|2.616099|2.229300|1.970890|3.099944|1.693280|4.229061|3.176236|18.659338|5.278323|3.737657|5.452040|4.675316|4.179691|5.122456|7.759839|12.210784|13.642468|36.858105|
|1.360436|1.409322|1.349758|1.587876|2.982647|2.239321|1.847168|2.087285|2.403735|2.357272|2.026451|1.827477|2.888732|1.565283|3.671442|2.682755|16.132431|4.236168|2.963330|4.478716|3.498792|3.229648|3.849023|5.100355|8.204949|7.894005|13.833920|36.858105|
|1.262741|1.297814|1.242995|1.446919|2.706580|2.032628|1.657023|1.845250|2.085948|2.057662|1.805940|1.644042|2.631474|1.433501|3.159319|2.306811|14.107569|3.603963|2.580795|3.991387|3.047117|2.934349|3.568570|4.455670|6.817404|6.793117|7.936314|13.776090|36.858105|
|1.203264|1.236667|1.181358|1.371278|2.541346|1.938816|1.578632|1.734639|1.958762|1.970236|1.750666|1.586270|2.558153|1.408222|3.051465|2.258682|13.850803|3.583475|2.644730|4.114842|3.214865|3.215897|4.107937|5.017697|7.111564|7.881959|6.913166|8.007108|13.802091|36.858105|
|1.223243|1.265089|1.205143|1.406005|2.587841|2.008235|1.647976|1.802796|2.060497|2.114036|1.876700|1.677383|2.701527|1.499470|3.350251|2.530896|15.355630|4.152902|3.154368|4.834800|4.060784|4.158090|5.805496|7.505555|9.289143|13.673138|7.976487|6.917019|7.929008|13.754925|36.858105|
|1.137138|1.173331|1.116577|1.291602|2.355283|1.850468|1.506926|1.619533|1.828566|1.903936|1.729306|1.550719|2.532202|1.422920|2.993294|2.283637|14.138738|3.712264|2.927284|4.647228|3.741742|4.155066|5.855410|6.012341|7.685724|6.929567|4.737856|4.239829|4.795618|7.133887|10.941172|448.794386|
|1.442689|1.494433|1.440988|1.693685|3.231583|2.356517|1.936642|2.229150|2.542202|2.401697|2.045616|1.873103|2.941357|1.569738|3.623505|2.589258|15.801475|3.901263|2.640414|4.049679|2.933865|2.662170|2.978814|3.704865|6.502688|4.754088|7.063061|10.954922|7.041591|4.782452|4.239936|24.539901|448.794386|
|17.554958|8.810292|6.883220|5.531553|8.560345|5.934026|3.344525|2.983189|2.458249|2.262365|2.406218|2.883040|5.358213|2.540190|2.641063|1.753993|12.384411|2.152267|1.430056|2.478217|1.323266|1.212310|1.165332|1.234554|2.386104|1.220952|1.288289|1.262657|1.178058|1.126214|1.144111|8.583452|10.710099|0.500000|
|17.546966|8.748406|5.467244|6.915753|10.373945|7.501115|4.148031|3.631555|2.918149|2.662760|2.846001|3.480663|6.359629|2.909206|3.050560|1.978571|13.689660|2.413820|1.584059|2.726603|1.459697|1.326667|1.273838|1.357836|2.642558|1.342436|1.417819|1.385560|1.288704|1.231679|1.254016|9.380194|11.718924|0.301368|0.500000|
|17.590993|8.808773|6.829834|6.974416|12.459418|6.579504|3.763972|3.529938|2.824863|2.496870|2.572484|3.061307|5.369979|2.494394|2.887974|1.887525|13.099145|2.316740|1.521101|2.605167|1.412806|1.285570|1.242339|1.329172|2.576320|1.324887|1.412967|1.392698|1.292028|1.224168|1.237598|9.187969|11.968661|0.300517|0.301293|0.500000|
|8.889997|17.528104|8.889995|8.868749|10.450225|10.502606|4.933497|3.909134|3.082668|2.879361|3.219671|4.187839|8.251083|3.628804|3.226232|2.135073|15.429127|2.541149|1.671279|2.915703|1.513032|1.372231|1.300025|1.374866|2.697030|1.340429|1.412778|1.363166|1.258268|1.206505|1.240345|9.294732|11.487364|0.213264|0.212751|0.173775|0.500000|
|6.832095|8.807198|17.589180|6.976237|12.378406|6.609010|3.778780|3.557175|2.842693|2.504906|2.573429|3.062990|5.358722|2.504263|2.889231|1.932581|13.878060|2.344502|1.544377|2.661478|1.424647|1.296043|1.245229|1.326804|2.579530|1.314603|1.408653|1.380772|1.270180|1.200363|1.218214|9.014177|11.951798|0.169359|0.139638|0.203018|0.173770|0.500000|
|5.467434|8.746749|17.548429|6.925171|10.305637|7.580526|4.184274|3.683969|2.952838|2.680445|2.849577|3.486766|6.331493|2.936330|3.054421|2.068233|15.290795|2.467638|1.629062|2.837607|1.482053|1.346336|1.279376|1.354054|2.649171|1.325209|1.411049|1.366639|1.253644|1.192523|1.221413|9.081644|11.696413|0.140655|0.122314|0.139633|0.212704|0.301274|0.500000|
|6.880978|8.808513|17.555203|5.533513|8.534968|5.957098|3.355623|2.999900|2.470233|2.268706|2.407563|2.885229|5.348877|2.551141|2.642497|1.789622|13.026146|2.174412|1.449211|2.526039|1.332984|1.221077|1.167807|1.232831|2.388910|1.213158|1.285202|1.254014|1.161811|1.108016|1.129122|8.444559|10.699016|0.206770|0.140643|0.169214|0.213309|0.300532|0.301364|0.500000|
|5.271999|7.592058|5.305775|9.431961|10.861986|26.098816|9.419905|5.768571|4.305349|4.114609|4.979143|7.766287|15.966440|5.557732|4.299155|2.768248|20.012156|3.173182|2.040313|3.552751|1.804502|1.609867|1.506152|1.599783|3.197284|1.541496|1.624981|1.544823|1.410735|1.355155|1.408192|10.510261|12.919890|0.122473|0.150038|0.123213|0.251622|0.123759|0.151783|0.123044|0.500000|
|3.820174|4.436062|3.865472|6.851906|15.204056|9.534905|8.978571|17.834026|8.904210|5.659616|4.954647|5.650773|7.607203|3.331902|5.695603|3.390594|22.301136|3.916189|2.387863|3.944479|2.152765|1.869536|1.785015|1.969099|3.995799|1.947374|2.144849|2.061093|1.825898|1.700321|1.745926|12.529538|18.041442|0.087633|0.105900|0.109536|0.109082|0.110930|0.108098|0.088343|0.143577|0.500000|
|2.595111|2.875662|2.615900|3.732713|7.226856|5.638491|5.649129|8.915140|17.725621|8.958785|5.649505|4.965983|6.527616|3.141473|9.862469|5.205997|29.833806|5.901127|3.304487|5.182528|2.937609|2.435949|2.313739|2.638519|5.613550|2.589153|2.927260|2.717858|2.313478|2.136803|2.233528|15.586627|23.626597|0.062989|0.073582|0.073206|0.075514|0.073813|0.074657|0.063378|0.098316|0.215111|0.500000|
|2.429224|2.759924|2.427845|3.277931|5.381722|5.737940|5.612646|4.952699|5.672508|8.948047|17.806695|8.922158|12.558859|7.489797|9.768655|6.217833|43.448549|6.081188|3.675591|6.486434|2.925209|2.481221|2.197615|2.325987|4.931116|2.120455|2.180643|1.963850|1.762605|1.729830|1.872921|14.047571|15.625570|0.060916|0.070861|0.063692|0.080096|0.063648|0.070791|0.060893|0.117404|0.107673|0.124646|0.500000|
|2.576030|2.903251|2.489710|3.221993|5.023974|5.658544|4.687327|3.746343|3.709781|4.542453|6.701393|6.940940|16.439168|17.573435|5.270103|3.559971|26.139973|4.006698|2.631801|4.781726|2.220147|1.974698|1.780664|1.848614|3.754429|1.711828|1.739589|1.602195|1.472302|1.454840|1.555738|11.917915|12.765217|0.065860|0.076590|0.065213|0.088998|0.063324|0.071796|0.063965|0.129062|0.087228|0.086014|0.227017|0.500000|
|2.773182|3.228543|2.791273|3.401260|5.113858|5.946542|4.411660|3.414179|3.192920|3.622998|4.912879|5.869346|16.974379|17.647579|4.179300|2.894451|22.242576|3.312946|2.215189|4.044249|1.904785|1.719617|1.565088|1.617255|3.236833|1.511906|1.545045|1.438292|1.326368|1.304811|1.383136|10.596516|11.595384|0.072165|0.080874|0.068554|0.103928|0.068909|0.081870|0.072593|0.147314|0.082201|0.075237|0.146282|0.300140|0.500000|
|2.509375|2.948241|2.627962|3.283036|5.110537|5.797449|4.823085|3.847967|3.803241|4.640152|6.801294|7.125791|16.447616|17.584800|5.312085|3.782361|31.018887|4.108520|2.708418|4.996055|2.249171|1.996445|1.785470|1.846366|3.766388|1.701116|1.741285|1.597523|1.456319|1.432042|1.533076|11.671017|12.832036|0.064397|0.072007|0.063885|0.090279|0.066459|0.078601|0.067003|0.132156|0.089397|0.087993|0.223382|0.298768|0.299437|0.500000|
|2.095990|2.266945|2.046155|2.730222|4.916510|4.271609|4.064756|4.688771|6.887194|9.253615|6.146916|4.445898|6.214208|3.308522|26.014380|9.490687|38.236178|11.157709|5.244075|7.679455|4.321631|3.336574|3.034570|3.490029|8.067108|3.200297|3.402085|2.942407|2.526301|2.440692|2.685117|19.078632|22.981715|0.052333|0.060889|0.057581|0.062241|0.056195|0.058274|0.051313|0.080857|0.109725|0.191405|0.159907|0.097649|0.077494|0.093820|0.500000|
|1.726694|1.857626|1.729190|2.163939|3.920280|3.275211|2.924371|3.286909|4.319822|5.061281|3.979085|3.137703|4.706806|2.606458|10.924546|9.363014|38.498591|26.016529|9.436812|10.864680|7.835296|5.063018|4.432805|5.391545|15.374715|4.481080|4.662663|3.640793|3.021067|2.969980|3.453554|23.885288|26.563778|0.043875|0.049430|0.047725|0.051028|0.047788|0.049566|0.043930|0.063054|0.081855|0.129068|0.110967|0.075720|0.063124|0.076116|0.252385|0.500000|
|1.248401|1.326219|1.262919|1.465817|2.610119|2.169263|1.801128|1.887619|2.177515|2.432242|2.258384|1.943625|3.187493|1.861992|4.017895|3.506235|22.849505|6.106660|6.493319|11.725878|8.860328|17.819374|8.455528|5.833840|10.457321|4.041069|3.395815|2.742843|2.537847|2.771753|3.456839|28.899421|18.655436|0.032590|0.035497|0.034297|0.036976|0.034694|0.036249|0.032928|0.043245|0.048764|0.061910|0.066588|0.054035|0.047303|0.054897|0.083136|0.117070|0.500000|
|1.164209|1.220128|1.166082|1.345999|2.432381|1.953571|1.604942|1.711968|1.956659|2.092672|1.907446|1.681200|2.745664|1.565876|3.373405|2.737058|17.289683|4.638925|4.068286|6.524766|5.865383|8.503793|17.847834|8.806732|10.460454|6.281523|4.459612|3.560407|3.458673|4.123856|5.776396|53.770153|22.169624|0.030411|0.033079|0.032319|0.033664|0.032370|0.033177|0.030456|0.038589|0.045181|0.057107|0.054518|0.045223|0.040130|0.045283|0.072249|0.098731|0.193791|0.500000|
|1.470977|1.550402|1.480943|1.769544|3.300676|2.542969|2.148416|2.449201|2.941156|2.956589|2.466894|2.157858|3.354753|1.825026|4.869610|3.699690|21.360609|6.222674|4.247333|6.035801|5.166011|4.324907|4.915850|7.240662|13.785965|8.916275|17.780649|8.974590|5.658685|4.977911|5.666303|31.320211|54.161621|0.037732|0.041577|0.041510|0.041855|0.041804|0.042085|0.037952|0.048652|0.065673|0.093429|0.066607|0.051832|0.045954|0.052466|0.107833|0.156875|0.097342|0.114900|0.500000|
|1.234694|1.262180|1.212284|1.401328|2.631444|1.952785|1.578606|1.756109|1.958392|1.910857|1.688185|1.554217|2.497896|1.355580|2.880208|2.083854|12.905589|3.184993|2.267591|3.557788|2.607208|2.518421|2.976519|3.562011|5.636704|4.913374|5.647740|8.908196|17.756211|8.919912|5.642086|31.825288|53.633399|0.032054|0.034952|0.035230|0.033892|0.034534|0.033853|0.031538|0.037623|0.048707|0.060232|0.045582|0.038569|0.034998|0.038115|0.063606|0.073231|0.061698|0.081088|0.124455|0.500000|
|1.140176|1.166406|1.115179|1.284769|2.376202|1.810612|1.462655|1.594705|1.779680|1.789922|1.609547|1.469702|2.388690|1.317974|2.737659|2.021077|12.556633|3.159164|2.345377|3.715782|2.798586|2.850303|3.567192|4.086870|5.935548|5.633699|4.976044|5.676923|8.941451|17.757396|8.957735|55.268961|31.626079|0.029747|0.032438|0.032218|0.031645|0.031465|0.031200|0.029164|0.035273|0.043530|0.053448|0.044288|0.037850|0.034094|0.037120|0.060518|0.071551|0.069870|0.102663|0.108001|0.214867|0.500000|
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