Version2.4
2021-05-26T00:33:46Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
24-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCn1c(c(cn1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Br)C3CC3)C(=O)N4CCOCC4 C02802323
RHF
6-31G(d)
(6D,7F)
CCn1c(c(cn1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Br)C3CC3)C(=O)N4CCOCC4
C01[X(C19H22Br1F3N6O3)]
156
C1
539
CCn1ncc(c1C(=O)N1CCOCC1)NC(=O)Cn1nc(c(c1C1CC1)Br)C(F)(F)F
CCn1ncc(c1C(=O)N1CCOCC1)NC(=O)Cn1nc(c(c1C1CC1)Br)C(F)(F)F
CCn1ncc(NC(=O)Cn2nc(c(Br)c2C3CC3)C(F)(F)F)c1C(=O)N4CCOCC4
InChIKey=KKPXOHBCQDQWRR-UHFFFAOYSA-N
InChI=1S/C19H22BrF3N6O3/c1-2-28-16(18(31)27-5-7-32-8-6-27)12(9-24-28)25-13(30)10-29-15(11-3-4-11)14(20)17(26-29)19(21,22)23/h9,11H,2-8,10H2,1H3,(H,25,30)
InChI=1/C19H22BrF3N6O3/c1-2-28-16(18(31)27-5-7-32-8-6-27)12(9-24-28)25-13(30)10-29-15(11-3-4-11)14(20)17(26-29)19(21,22)23/h9,11H,2-8,10H2,1H3,(H,25,30)/f/h25H
CCn1c(c(cn1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Br)C3CC3)C(=O)N4CCOCC4
C01[X(C19H22Br1F3N6O3)]
156
C01
539
CCn1ncc(c1C(=O)N1CCOCC1)NC(=O)Cn1nc(c(c1C1CC1)Br)C(F)(F)F
CC[N]1[N][CH][C]([C]1C(=O)N1CCOCC1)NC(=O)C[N]1[N][C]([C]([C]1C1CC1)Br)C(F)(F)F
CCN1[N][CH][C](NC(=O)CN2[N][C]([C](Br)[C]2C3CC3)C(F)(F)F)[C]1C(=O)N4CCOCC4
InChIKey=KKPXOHBCQDQWRR-UHFFFAOYSA-N
InChI=1S/C19H22BrF3N6O3/c1-2-28-16(18(31)27-5-7-32-8-6-27)12(9-24-28)25-13(30)10-29-15(11-3-4-11)14(20)17(26-29)19(21,22)23/h9,11H,2-8,10H2,1H3,(H,25,30)
InChI=1/C19H22BrF3N6O3/c1-2-28-16(18(31)27-5-7-32-8-6-27)12(9-24-28)25-13(30)10-29-15(11-3-4-11)14(20)17(26-29)19(21,22)23/h9,11H,2-8,10H2,1H3,(H,25,30)/f/h25H
3863.7899602977
-4151.7392126
1-A
24104.7854
132
407
539
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11.73209
-6.0815 -3.1463 -2.7939
7.3953
|XX|YY|ZZ|XY|XZ|YZ|
-179.1261 -204.6968 -197.6062 -13.3193 -7.7514 4.8552
|XX|YY|ZZ|XY|XZ|YZ|
14.6836 -10.8871 -3.7965 -13.3193 -7.7514 4.8552
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-32.8879 7.2981 21.9853 94.5287 -82.6950 5.1553 62.5666 39.3442 -11.2853 14.0333
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-22034.5988 -4812.3714 -1462.1300 330.4673 234.1455 146.1327 8.1882 165.9794 32.4096 -4876.4963 -3968.4280 -1018.1398 -115.3373 148.9409 -78.1494
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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|
5.5382 14.9407 26.1975 30.3592 35.3588 42.9996 54.0249 62.7455 69.2126 74.4340 79.0150 92.5489 101.9435 112.8322 117.3312 129.6537 137.9665 158.3340 190.3361 203.6045 218.8336 235.3909 245.8026 264.7118 274.6312 295.9560 307.3519 316.2758 329.7825 339.2447 348.7173 362.7721 399.7446 426.5624 435.4745 436.4259 453.9009 476.4499 480.7565 504.1707 523.1503 574.0285 581.9049 601.1196 619.4756 636.3891 645.3504 666.1656 699.6222 719.9043 743.1789 755.1024 778.7657 781.1394 803.5343 837.3782 844.5401 861.6383 868.3067 872.2612 893.4412 912.2659 928.0899 932.2650 942.8116 987.6240 1003.0817 1006.0228 1030.2498 1034.8040 1041.9715 1056.7868 1086.0041 1117.2166 1122.7171 1131.0689 1144.6991 1187.0472 1199.1174 1199.5537 1202.5691 1216.8305 1228.9562 1249.0080 1250.8044 1262.5166 1270.5447 1294.8782 1308.9001 1321.3407 1321.8283 1333.1330 1338.8315 1358.6378 1359.0589 1370.9540 1373.9746 1385.3950 1391.4961 1417.8201 1424.1861 1459.4470 1478.4920 1485.0493 1503.7980 1521.9495 1528.5708 1531.3891 1545.9572 1549.4435 1553.7079 1559.4170 1566.8229 1572.5434 1583.6050 1589.8149 1609.6350 1615.3611 1631.6286 1636.7288 1637.0738 1639.2706 1647.8923 1651.1613 1653.5087 1662.6011 1664.9788 1665.9181 1691.1728 1697.1340 1770.9734 1810.8371 1899.4614 1967.9926 3182.3776 3192.3939 3204.5152 3213.1487 3213.6291 3268.5040 3274.7111 3283.5379 3294.8841 3298.1940 3300.3368 3310.3370 3331.6969 3332.4910 3333.0507 3338.9162 3343.7854 3355.9733 3391.0987 3420.3438 3496.2224 3852.1393
7.9863 6.8955 9.7885 7.0458 14.4003 2.8623 4.4294 5.4157 4.8000 6.9658 2.6690 5.8113 3.9367 12.5508 6.6711 5.1135 4.8461 7.5201 3.1785 4.7811 3.1231 3.5179 2.4925 2.2799 4.4452 3.0394 9.0638 2.6962 5.4383 3.7867 4.8231 5.7229 5.5250 6.0612 3.5313 2.9349 3.4579 5.3331 6.2371 9.6975 2.7364 5.3546 4.0267 3.0736 8.8164 3.1423 3.6523 1.5061 4.1288 5.4349 5.9987 4.1401 3.6013 4.6627 6.8969 6.6080 4.7153 3.9125 1.4426 1.3741 4.6781 1.3570 3.9580 3.7647 1.6581 3.1293 1.3699 3.4066 2.3898 3.6140 2.5208 5.6116 2.7019 9.7311 2.1216 2.9190 2.8516 2.1966 1.7832 1.3764 1.7275 2.9239 1.3146 2.0339 2.0383 1.2010 2.5503 3.8265 1.9304 1.4739 1.7942 3.7640 1.8084 1.1709 10.1097 3.5526 2.9957 2.3282 4.4462 1.4989 1.4610 1.2340 4.2246 2.2932 1.2572 1.7298 1.6768 1.5960 1.3562 2.7401 2.5473 1.8022 1.6316 1.9530 2.5994 1.9157 1.1130 1.0922 1.0439 5.3145 1.1458 1.1004 1.0957 1.0782 1.5145 1.5770 1.4583 1.4670 2.6027 6.5972 11.3682 4.5191 10.6005 9.7595 1.0721 1.0734 1.0724 1.0710 1.0379 1.0845 1.0613 1.0831 1.0953 1.0970 1.1028 1.0544 1.0947 1.0867 1.0781 1.0935 1.1029 1.0901 1.1193 1.1168 1.0993 1.0793
0.0001 0.0009 0.0040 0.0038 0.0106 0.0031 0.0076 0.0126 0.0135 0.0227 0.0098 0.0293 0.0241 0.0941 0.0541 0.0506 0.0543 0.1111 0.0678 0.1168 0.0881 0.1148 0.0887 0.0941 0.1975 0.1569 0.5045 0.1589 0.3485 0.2568 0.3456 0.4437 0.5202 0.6498 0.3946 0.3294 0.4197 0.7133 0.8493 1.4523 0.4413 1.0395 0.8033 0.6544 1.9934 0.7498 0.8962 0.3938 1.1907 1.6596 1.9521 1.3908 1.2868 1.6763 2.6237 2.7300 1.9815 1.7114 0.6408 0.6160 2.2001 0.6654 2.0087 1.9278 0.8684 1.7984 0.8121 2.0314 1.4945 2.2801 1.6125 3.6924 1.8775 7.1563 1.5756 2.2002 2.2015 1.8236 1.5107 1.1669 1.4719 2.5508 1.1698 1.8694 1.8789 1.1279 2.4256 3.7801 1.9485 1.5162 1.8470 3.9414 1.9098 1.2735 11.0018 3.9340 3.3320 2.6328 5.0722 1.7753 1.7459 1.5486 5.4409 2.9797 1.6751 2.3607 2.3083 2.2053 1.9098 3.8758 3.6230 2.5821 2.3600 2.8455 3.8407 2.8528 1.6990 1.6792 1.6374 8.3882 1.8092 1.7423 1.7531 1.7319 2.4396 2.5683 2.3818 2.3988 4.3858 11.1954 21.0070 8.7310 22.5340 22.2703 6.3973 6.4453 6.4884 6.5146 6.3156 6.8262 6.7057 6.8802 7.0056 7.0312 7.0770 6.8074 7.1597 7.1105 7.0565 7.1825 7.2652 7.2338 7.5838 7.6975 7.9174 9.4359
0.4834 0.4333 0.0376 0.0584 0.1095 0.2679 0.7175 1.7511 0.6896 3.3514 0.5882 2.7297 1.3342 0.2434 7.9914 2.2772 0.1495 0.2572 1.8930 0.2659 3.2315 2.4756 6.0188 1.7847 3.6007 2.3477 2.5405 20.4506 17.6265 0.4691 6.1295 7.8703 5.1009 4.9925 0.1033 3.4555 1.4309 26.7077 4.7505 3.4540 1.4445 4.4192 11.4780 57.4143 10.1637 41.6737 2.5411 35.5423 3.4889 9.3605 24.0359 4.0433 15.7537 2.4421 10.8745 23.5472 2.4032 9.9418 0.8299 1.9568 55.7403 9.6334 5.5653 10.4801 4.2690 7.4783 22.5025 23.4133 11.2887 18.4243 10.8113 13.2165 23.8098 78.7494 2.5373 76.2152 18.9942 13.9447 17.9645 9.0845 3.7118 2.2536 2.1661 35.6599 19.2928 7.6432 4.9762 126.4333 27.4280 11.0063 23.8067 43.4235 37.8533 44.0694 269.1272 125.0469 312.1027 727.0335 70.4689 17.1090 96.3140 32.6463 211.3718 13.1043 1.8897 115.6828 3.9654 37.1602 28.0531 1.3154 252.9179 30.7372 73.6702 64.8396 50.9179 31.8026 7.3650 1.0573 7.4284 68.0805 6.1265 10.2670 4.1833 1.4545 41.2286 40.5791 28.4035 3.0627 262.9724 60.8423 3.8855 446.5452 332.9054 268.2322 24.3393 58.8429 27.9987 74.7330 17.4863 2.2976 18.7917 68.4401 45.9404 48.5450 7.7978 15.6005 11.9692 12.9465 2.2518 22.2971 12.5291 0.6559 7.6383 13.1716 0.1344 89.9215
0.4036 0.8418 0.6141 0.9040 0.1865 1.0355 0.0739 0.3474 0.3869 0.8010 0.2261 0.4142 0.1791 0.2168 0.7115 2.1985 0.4102 0.2920 1.1795 1.7083 0.8507 1.1900 0.0861 1.8324 0.2755 0.6724 1.4780 1.1938 1.2024 1.0781 1.3511 2.0189 1.3581 1.5186 2.2214 0.6699 2.7036 0.7920 3.4679 2.0342 1.8271 1.8692 0.5701 1.9050 0.7672 0.3738 10.2284 8.3853 0.2805 1.8485 1.1739 1.7913 7.7200 3.8102 8.1677 2.6299 0.8539 1.9040 2.0917 1.8032 5.0946 5.2611 6.3416 7.1617 1.6621 3.0018 3.8070 12.6113 3.6459 11.9479 8.4027 11.6945 1.3533 2.0818 8.1405 18.8987 1.7229 4.9893 2.6098 1.3678 0.2704 6.1250 0.7288 2.5040 2.6595 1.0707 10.6162 0.4290 4.0313 9.1070 10.7204 7.1696 19.9941 10.0492 1.1294 6.4200 2.0728 16.2294 1.3568 8.3078 1.2246 13.7683 50.1148 9.7755 4.6509 11.6737 11.0743 6.0683 0.6048 27.7916 17.1367 7.3636 10.7277 19.1210 35.8506 16.8291 11.9935 9.8370 16.6791 7.2834 19.7736 19.1356 8.7285 1.9444 13.5197 12.7734 10.3267 6.4844 47.6268 64.5890 2.3393 95.3324 30.4517 26.6106 8.9439 178.9333 11.5196 40.5796 130.9959 89.5491 75.9285 98.5861 102.5759 157.2560 72.4172 58.1930 48.7512 35.2551 97.5899 39.0588 44.8250 85.8932 70.3384 43.4111 64.5144 55.5344
0.7346 0.7473 0.7103 0.5859 0.7489 0.6876 0.7410 0.7083 0.6725 0.6734 0.4809 0.6599 0.7361 0.7230 0.7284 0.7424 0.7033 0.1329 0.7170 0.1979 0.5514 0.5634 0.7392 0.1894 0.2806 0.5355 0.7499 0.2135 0.6989 0.4388 0.2903 0.1499 0.3563 0.7460 0.5563 0.6362 0.2572 0.6483 0.4002 0.3786 0.7444 0.4222 0.6564 0.7282 0.6981 0.6105 0.1143 0.1983 0.7496 0.1942 0.7111 0.4400 0.1649 0.7410 0.4194 0.7366 0.7378 0.3052 0.1617 0.7440 0.5246 0.7153 0.2224 0.4827 0.4729 0.2117 0.7402 0.7092 0.3011 0.7478 0.5560 0.1545 0.6970 0.1470 0.7010 0.7149 0.7492 0.5887 0.1058 0.3624 0.5405 0.7435 0.7034 0.5688 0.6724 0.1744 0.4040 0.7284 0.1927 0.4393 0.1749 0.5329 0.5119 0.7419 0.7210 0.6587 0.6065 0.6805 0.6549 0.7490 0.3726 0.7392 0.5251 0.6610 0.6795 0.3690 0.1589 0.5011 0.3500 0.4986 0.6353 0.1960 0.3424 0.4391 0.2187 0.2464 0.6632 0.7340 0.7500 0.7248 0.6764 0.7423 0.7498 0.5466 0.7496 0.4676 0.6315 0.7498 0.5149 0.1247 0.6207 0.2348 0.1504 0.2625 0.5769 0.1487 0.5688 0.3785 0.0644 0.5161 0.0459 0.1855 0.7292 0.1936 0.7174 0.1963 0.4149 0.1897 0.2425 0.3171 0.5241 0.1823 0.6495 0.7006 0.2769 0.1482
0.8470 0.8554 0.8306 0.7389 0.8565 0.8149 0.8513 0.8293 0.8042 0.8048 0.6494 0.7951 0.8480 0.8392 0.8428 0.8522 0.8258 0.2346 0.8351 0.3304 0.7108 0.7208 0.8500 0.3185 0.4382 0.6975 0.8571 0.3519 0.8227 0.6099 0.4500 0.2608 0.5254 0.8545 0.7149 0.7776 0.4092 0.7866 0.5716 0.5492 0.8535 0.5937 0.7926 0.8427 0.8222 0.7581 0.2051 0.3310 0.8569 0.3252 0.8311 0.6112 0.2831 0.8512 0.5909 0.8483 0.8491 0.4677 0.2784 0.8532 0.6882 0.8340 0.3639 0.6511 0.6422 0.3494 0.8507 0.8299 0.4628 0.8557 0.7146 0.2676 0.8214 0.2563 0.8242 0.8338 0.8566 0.7411 0.1913 0.5320 0.7017 0.8529 0.8259 0.7251 0.8041 0.2971 0.5755 0.8429 0.3231 0.6105 0.2977 0.6953 0.6771 0.8519 0.8379 0.7942 0.7551 0.8099 0.7914 0.8565 0.5429 0.8500 0.6886 0.7959 0.8092 0.5391 0.2743 0.6676 0.5185 0.6654 0.7770 0.3278 0.5102 0.6102 0.3590 0.3954 0.7975 0.8466 0.8571 0.8404 0.8070 0.8521 0.8570 0.7068 0.8569 0.6373 0.7741 0.8570 0.6798 0.2217 0.7660 0.3803 0.2615 0.4159 0.7317 0.2588 0.7252 0.5491 0.1210 0.6808 0.0878 0.3130 0.8434 0.3244 0.8354 0.3282 0.5864 0.3189 0.3904 0.4816 0.6878 0.3084 0.7875 0.8239 0.4337 0.2581
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 7 6 6 6 7 7 6 8 6 7 6 6 6 7 6 9 9 9 35 6 6 6 6 8 7 6 6 8 6 6 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 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 18.99840 18.99840 18.99840 78.91834 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 12.00000 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
8799.0346 38992.5323 44076.4250
0.99990 -0.01145 -0.00886 0.01148 0.99993 0.00303 0.00883 -0.00313 0.99996
1
0.00984 0.00222 0.00197
0.20511 0.04628 0.04095
7.97 21.50 37.69 43.68 50.87 61.87 77.73 90.28 99.58 107.09 113.68 133.16 146.67 162.34 168.81 186.54 198.50 227.81 273.85 292.94 314.85 338.68 353.66 380.86 395.13 425.81 442.21 455.05 474.48 488.10 501.73 521.95 575.14 613.73 626.55 627.92 653.06 685.51 691.70 725.39 752.70 825.90 837.23 864.88 891.29 915.62 928.52 958.46 1006.60 1035.78 1069.27 1086.42 1120.47 1123.89 1156.11 1204.80 1215.10 1239.71 1249.30 1254.99 1285.46 1312.55 1335.31 1341.32 1356.50 1420.97 1443.21 1447.44 1482.30 1488.85 1499.16 1520.48 1562.52 1607.43 1615.34 1627.36 1646.97 1707.90 1725.26 1725.89 1730.23 1750.75 1768.19 1797.04 1799.63 1816.48 1828.03 1863.04 1883.22 1901.11 1901.82 1918.08 1926.28 1954.78 1955.38 1972.50 1976.84 1993.27 2002.05 2039.93 2049.09 2099.82 2127.22 2136.65 2163.63 2189.75 2199.27 2203.33 2224.29 2229.30 2235.44 2243.65 2254.31 2262.54 2278.45 2287.39 2315.91 2324.14 2347.55 2354.89 2355.38 2358.54 2370.95 2375.65 2379.03 2392.11 2395.53 2396.88 2433.22 2441.80 2548.04 2605.39 2732.90 2831.50 4578.73 4593.14 4610.58 4623.00 4623.70 4702.65 4711.58 4724.28 4740.60 4745.37 4748.45 4762.84 4793.57 4794.71 4795.52 4803.96 4810.96 4828.50 4879.03 4921.11 5030.28 5542.37
0.452807
0.481431
0.482375
0.386702
-4151.286405
-4151.257782
-4151.256838
-4151.352511
3.208888D-04
MUNgauss
RevisionA2.1
retrievium
26-May-2021
DUDE CCn1c(c(cn1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Br)C3CC3)C(=O)N4CCOCC4 C02802323
RHF
6-31G(d)
(6D,10F)
C1
518.088885
|X|Y|Z|
61.808635 34.126520 138.276844
66.317814
23
|36.858105|
|12.492146|36.858105|
|7.688021|13.082296|53.358707|
|5.618579|7.492785|19.061516|36.858105|
|4.454549|5.294620|11.856378|13.918446|36.858105|
|4.683326|5.493626|12.256977|8.653944|13.504610|36.858105|
|6.235663|8.010250|19.632951|8.618134|8.559145|14.622528|53.358707|
|3.460243|3.883454|7.324572|7.761767|13.643217|7.485342|7.230909|53.358707|
|2.874226|3.156810|5.627824|5.163434|7.812495|6.143820|5.969505|19.196086|36.858105|
|2.774073|3.047101|5.396418|4.560401|6.715255|6.472458|6.132695|11.493922|15.912715|73.516695|
|2.428693|2.603628|4.367621|3.924240|5.069884|4.151900|4.465283|10.744815|12.473940|14.207198|36.858105|
|2.103182|2.263313|3.708016|3.185655|3.936272|3.464805|3.841194|7.213045|7.751238|12.107857|13.246419|53.358707|
|1.930918|2.051308|3.306860|2.736501|3.335806|3.117552|3.503352|5.655340|5.790135|10.604535|7.570460|19.178904|36.858105|
|1.750523|1.873317|2.974334|2.428620|2.865316|2.705729|3.125806|4.663665|4.427613|8.195513|5.334785|12.008935|13.941479|36.858105|
|1.785002|1.937815|3.082866|2.559792|2.977902|2.727312|3.172562|4.911472|4.523240|7.903619|5.532390|12.403717|8.641335|13.527445|36.858105|
|1.984796|2.168060|3.509330|3.009276|3.563226|3.120986|3.564542|6.246236|5.908374|9.423989|8.034975|19.535634|8.530887|8.548596|14.711063|53.358707|
|1.629971|1.777374|2.776134|2.274097|2.554537|2.360182|2.824737|4.043868|3.479464|6.104671|3.983078|7.351750|5.190059|7.291361|12.723683|10.664449|36.858105|
|1.482935|1.596988|2.458954|1.998094|2.216218|2.061019|2.496064|3.473320|2.934322|5.127417|3.408151|6.051226|4.498987|6.196726|8.183598|7.786953|14.399332|97.533100|
|1.667584|1.835429|2.858135|2.366499|2.606136|2.359344|2.853013|4.117609|3.403241|5.778516|3.849758|6.554954|4.245703|5.172707|8.178832|9.782896|14.482231|20.112838|97.533100|
|1.588416|1.739805|2.706863|2.174994|2.434239|2.308077|2.784897|3.732481|3.187603|5.828936|3.423246|6.029359|4.490723|6.196562|8.181777|7.770339|14.412745|20.148160|20.115048|97.533100|
|1.531566|1.623779|2.522968|2.001973|2.302219|2.248303|2.669431|3.559271|3.186792|6.072979|3.552340|6.491893|6.532004|10.197523|6.489436|6.430997|5.500530|12.367894|9.003680|12.479848|2539.412838|
|1.949686|2.028806|3.251780|2.638928|3.232947|3.131172|3.513375|5.304644|5.283547|10.184516|6.226942|10.415232|12.842045|7.314204|5.184365|7.127521|3.726102|7.678497|7.180065|7.686312|183.544990|36.858105|
|1.885874|1.922539|3.030524|2.462505|2.943375|2.811861|3.223182|4.803773|4.428307|7.865296|5.451937|7.884531|7.325806|5.129931|4.070249|5.770545|3.119351|6.713237|6.221392|6.334803|142.057187|12.623729|36.858105|
|1.720566|1.766713|2.762182|2.201893|2.600120|2.551021|2.963390|4.101776|3.754496|7.069329|4.333416|6.914577|7.345763|5.796788|4.183620|5.436417|3.253993|7.112387|6.249852|6.798610|183.446373|12.724215|12.775434|36.858105|
|4.728494|5.896782|10.094399|12.809262|7.530395|5.220746|7.090083|8.586064|4.391102|6.638608|3.697131|4.106435|2.550554|2.297944|2.476370|3.997298|2.239217|4.463078|5.368150|4.746231|64.394904|2.413174|2.295661|2.045438|36.858105|
|4.016697|4.504416|7.336349|8.231048|6.502893|4.507368|5.789588|8.878022|4.533255|6.554559|4.056362|4.357751|2.662768|2.371014|2.559382|4.198819|2.291264|4.607083|5.498243|4.763774|65.714436|2.517354|2.446172|2.136226|15.789626|73.516695|
|4.377386|5.715987|8.349204|7.730013|5.215417|4.148163|5.977608|6.133937|3.476262|5.484045|3.031157|3.537390|2.235751|2.067461|2.246287|3.545958|2.089829|4.185713|5.075289|4.478089|59.061735|2.101249|1.994375|1.812316|13.967013|15.029830|53.358707|
|3.488899|4.122257|5.724647|5.034241|3.911548|3.201678|4.492675|5.020628|2.982195|4.684772|2.752564|3.261316|2.064656|1.930725|2.114485|3.320119|1.998373|4.056853|4.915673|4.241579|55.514497|1.929985|1.858312|1.689362|7.934395|12.668620|17.734544|36.858105|
|3.243290|3.796124|4.897520|3.913955|3.133362|2.725675|3.939555|3.959410|2.450081|3.969037|2.270644|2.764900|1.789847|1.696159|1.843935|2.826554|1.771420|3.629424|4.340818|3.811751|49.820650|1.685125|1.623476|1.496358|5.198840|8.220264|10.671012|12.539025|36.858105|
|3.058382|3.722637|4.823879|3.725720|3.033883|2.704973|3.944294|3.789356|2.387990|3.939120|2.188315|2.714091|1.767388|1.693602|1.848704|2.806196|1.796222|3.656809|4.417871|3.915149|50.048387|1.654025|1.572690|1.467341|4.581321|6.964035|9.257449|7.900329|13.612324|73.516695|
|3.581839|4.710806|6.007293|4.429124|3.485243|3.164224|4.770234|4.156595|2.592740|4.333228|2.301228|2.843909|1.857152|1.770643|1.920083|2.914494|1.848421|3.727407|4.499856|4.068232|52.257279|1.745721|1.642660|1.536387|5.131179|7.226856|10.633986|6.737694|8.200486|24.255827|36.858105|
|3.951082|5.487436|7.959010|6.409408|4.726963|4.048776|5.977438|5.470971|3.268259|5.360351|2.811716|3.401310|2.176169|2.049267|2.238393|3.473933|2.117313|4.202768|5.163511|4.624751|59.142294|2.028080|1.889234|1.751040|7.712671|9.641851|17.688105|7.819495|6.758852|14.080133|12.530781|36.858105|
|17.562398|8.800591|9.399037|5.857789|4.613010|4.532983|7.491276|5.005070|2.993841|5.009849|2.562690|2.969009|1.986352|1.786336|1.823537|2.784223|1.655804|3.400062|3.817946|3.594042|52.771466|2.009071|1.969065|1.771885|5.207030|8.195445|6.239359|3.728172|3.356150|5.412218|3.442165|3.857332|0.500000|
|17.597053|8.825062|9.458336|5.062324|4.384718|4.979426|9.191318|4.634515|2.899783|5.090200|2.427013|2.873832|1.963625|1.771593|1.784176|2.681843|1.619752|3.318626|3.690080|3.567845|53.066163|2.011789|1.942990|1.777905|4.065460|6.323189|5.005476|2.987621|2.768895|4.720888|3.083952|3.422707|0.300665|0.500000|
|17.549746|8.858004|7.613969|4.389490|3.581123|3.729958|6.455236|3.960567|2.475940|4.267003|2.141181|2.563279|1.740921|1.594690|1.627745|2.441460|1.502125|3.094402|3.464761|3.303542|47.999729|1.754767|1.704805|1.567442|3.973094|6.132745|5.311614|3.255343|3.170300|5.329762|3.467608|3.601418|0.300880|0.300681|0.500000|
|8.847427|17.663151|12.572697|7.039969|4.779857|4.560989|7.989923|5.026480|2.984910|5.019939|2.523056|2.993040|1.975109|1.818061|1.903782|2.909299|1.763008|3.570359|4.145257|3.864684|53.517011|1.929049|1.836113|1.686433|6.633727|8.676521|9.978502|5.079658|4.777655|8.196073|6.017398|6.793986|0.211620|0.173470|0.212847|0.500000|
|8.826688|17.618546|12.659301|5.761633|4.522727|5.007201|10.120333|4.649401|2.890346|5.097444|2.392749|2.894919|1.952220|1.802046|1.858700|2.792504|1.719340|3.475903|3.982439|3.831146|53.809640|1.930864|1.814543|1.691195|4.644569|6.537426|6.419260|3.562694|3.422108|6.249109|4.546126|5.008906|0.172930|0.211718|0.212385|0.301921|0.500000|
|3.889748|4.323105|8.284649|5.871884|8.522364|17.858058|12.525213|8.695632|6.190685|13.347050|4.174824|4.894387|3.351441|2.880986|2.824696|4.313765|2.415411|4.745893|5.318973|5.370292|82.153804|3.458893|3.031272|2.788598|4.090569|6.589081|4.611621|2.735254|2.373385|4.215167|2.726845|3.363697|0.104415|0.118318|0.089347|0.102011|0.114672|0.500000|
|3.356549|3.712215|6.640410|7.240109|9.387157|5.675707|6.130994|26.009049|9.339449|10.815977|7.552469|6.791680|3.844346|3.221200|3.462366|6.074810|2.896428|5.672061|6.773194|5.903936|83.980865|3.564756|3.361694|2.835106|7.093337|15.167025|6.622944|4.124660|3.132227|5.184750|3.113885|4.085064|0.101807|0.089514|0.079359|0.101566|0.089334|0.135181|0.500000|
|2.384262|2.486118|4.097818|3.600035|4.559607|3.872988|4.223186|8.939454|8.972650|11.884220|17.612467|12.535588|6.974051|4.788570|4.604557|8.067406|3.432813|6.908737|7.353328|6.732323|115.107409|6.833785|6.847662|4.822553|3.384604|6.699963|3.779063|2.545519|2.122114|3.599255|2.119523|2.541966|0.070586|0.066785|0.058484|0.066497|0.063280|0.109670|0.179270|0.500000|
|2.413417|2.601870|4.311048|3.976715|4.846454|3.803359|4.237661|10.194659|8.763810|10.487415|17.643267|12.728987|5.761315|4.587832|5.152468|10.556503|3.935566|7.637163|9.038938|7.437678|107.965033|4.730053|4.420662|3.612608|3.993797|8.127623|4.452970|3.042271|2.458172|4.163238|2.422127|2.973049|0.071412|0.065793|0.059429|0.071488|0.065846|0.101976|0.235168|0.301423|0.500000|
|2.092123|2.178256|3.530646|2.827618|3.543948|3.560242|3.915464|5.667850|5.748100|12.336745|5.864043|8.823545|8.878283|5.904329|4.514058|6.326739|3.375275|6.823535|6.640871|7.215241|158.680562|17.713246|8.640997|8.649824|2.511194|4.581630|2.959364|1.964588|1.718409|3.010410|1.808408|2.110670|0.059460|0.060653|0.051948|0.056792|0.057805|0.113556|0.101868|0.174314|0.122690|0.500000|
|1.971056|1.979484|3.110988|2.505977|2.995582|2.902636|3.333355|4.789216|4.273548|7.622518|4.908600|6.465164|5.487024|4.073055|3.395658|4.897547|2.694063|5.776168|5.496311|5.567398|117.448570|8.577569|17.711555|8.579240|2.312003|4.380260|2.715948|1.850009|1.618768|2.774121|1.635154|1.876380|0.057413|0.056891|0.049356|0.052129|0.051726|0.087365|0.092768|0.176135|0.112275|0.213514|0.500000|
|1.829037|1.866314|2.923630|2.405100|2.827325|2.630791|3.048845|4.686667|4.201906|7.073462|5.580803|8.047470|6.822857|5.012451|4.172998|6.026400|3.213940|7.049129|6.479945|6.336291|135.273852|8.550518|17.702993|8.640990|2.296510|4.422166|2.721595|1.889322|1.643703|2.813916|1.636707|1.878722|0.053418|0.051797|0.046104|0.050034|0.048688|0.076881|0.094167|0.197884|0.132208|0.171305|0.292490|0.500000|
|1.594631|1.643673|2.548529|2.033539|2.361855|2.295515|2.702476|3.716770|3.334859|6.154913|3.926700|6.519061|6.842038|6.185383|4.378788|5.428400|3.469530|7.875620|6.529046|7.168668|215.022091|8.600563|8.636097|17.749142|1.918124|3.567003|2.338998|1.618698|1.439949|2.515329|1.471515|1.666594|0.045581|0.045462|0.040610|0.043926|0.043811|0.068709|0.072460|0.117516|0.094359|0.171521|0.171187|0.212794|0.500000|
|1.682374|1.715945|2.664046|2.088398|2.450924|2.463832|2.888740|3.756194|3.360679|6.492803|3.658215|5.580817|5.501684|4.646458|3.507791|4.557547|2.843364|6.216554|5.529134|6.119642|160.371664|8.636394|8.591296|17.722868|1.922545|3.535449|2.330703|1.590632|1.420620|2.483067|1.468216|1.662236|0.047869|0.048682|0.042691|0.045234|0.045904|0.075726|0.071597|0.111937|0.085996|0.213951|0.209440|0.171316|0.293210|0.500000|
|2.994240|3.508595|5.069305|4.532006|3.749747|3.043919|4.141487|5.049945|3.057266|4.759440|2.886150|3.454997|2.160563|2.038395|2.272557|3.595621|2.167588|4.382172|5.431131|4.562186|58.131529|1.984737|1.901783|1.733094|6.721842|11.600619|12.341859|17.522449|8.862818|12.440417|5.812138|6.919917|0.088006|0.073343|0.077428|0.114207|0.086590|0.073415|0.116646|0.072980|0.090481|0.055599|0.052018|0.054099|0.046433|0.045013|0.500000|
|3.510535|3.913811|5.394472|4.777601|3.785794|3.085676|4.289766|4.959038|2.935736|4.564612|2.757857|3.222247|2.042847|1.892938|2.054926|3.232986|1.925654|3.946479|4.697473|4.055965|54.439070|1.928687|1.886131|1.696580|7.507459|14.101762|12.465002|17.660099|8.862919|10.149011|5.040669|5.675555|0.108446|0.083354|0.091026|0.130725|0.092332|0.073628|0.116140|0.072148|0.085181|0.054320|0.052490|0.053565|0.045085|0.044342|0.301918|0.500000|
|2.777862|3.135614|4.095060|3.277553|2.732987|2.392867|3.403619|3.551196|2.241593|3.631734|2.124415|2.612325|1.696573|1.618185|1.763541|2.688373|1.709312|3.532502|4.208148|3.664594|47.776859|1.593920|1.545187|1.426878|4.226433|7.119156|7.695971|8.871683|17.617424|16.912462|5.891945|5.032755|0.080354|0.067155|0.076079|0.104978|0.079693|0.058859|0.078521|0.055407|0.064274|0.044809|0.042673|0.043725|0.038362|0.037581|0.217031|0.209408|0.500000|
|3.599686|4.118308|5.011590|3.849979|3.045026|2.702875|3.997079|3.770668|2.332790|3.810233|2.147295|2.605808|1.703538|1.606098|1.724449|2.628160|1.647098|3.390788|3.987113|3.557827|47.512796|1.624515|1.573796|1.449135|4.923351|7.741840|9.496660|8.866841|17.494633|16.552741|7.309094|5.887501|0.103639|0.083372|0.100386|0.148750|0.102134|0.065257|0.082075|0.056448|0.063782|0.046245|0.043932|0.044076|0.038593|0.038426|0.173745|0.216750|0.300476|0.500000|
|3.160979|4.090272|5.308335|3.826955|3.162398|2.953973|4.430152|3.808604|2.440466|4.149405|2.170479|2.732849|1.800277|1.735679|1.884600|2.825510|1.835338|3.695672|4.471552|4.086928|51.691187|1.686443|1.575262|1.489249|4.169782|6.068605|7.683201|5.024516|5.887858|16.917922|17.615043|8.879157|0.083038|0.077796|0.085629|0.135340|0.115576|0.072128|0.077980|0.055361|0.062927|0.048568|0.043382|0.043469|0.039752|0.039636|0.130488|0.110354|0.132298|0.148027|0.500000|
|4.098303|5.440340|6.279127|4.352803|3.375483|3.146727|4.915604|3.942682|2.458046|4.140135|2.172467|2.672653|1.762688|1.670757|1.787990|2.699765|1.710373|3.472315|4.112829|3.771378|49.682101|1.679902|1.591029|1.486142|4.853448|6.855949|9.442200|5.859602|7.296060|16.566079|17.492946|8.846641|0.106930|0.095332|0.113658|0.206240|0.147255|0.075137|0.081536|0.056339|0.062881|0.048575|0.044346|0.043869|0.039392|0.039675|0.133617|0.132033|0.148062|0.218756|0.300528|0.500000|
|4.424088|6.724816|10.274897|7.379476|5.352149|4.821029|7.493948|5.765483|3.450125|5.806729|2.861569|3.465164|2.239101|2.097779|2.263339|3.490738|2.121173|4.189977|5.093656|4.685420|60.733872|2.105408|1.941791|1.807592|7.140151|8.821152|12.326960|5.654061|5.038043|10.168529|8.871159|17.668038|0.114961|0.107775|0.109302|0.216205|0.176984|0.108600|0.114011|0.071932|0.081910|0.061727|0.053811|0.053023|0.047458|0.047944|0.141481|0.127059|0.110321|0.132001|0.210825|0.215589|0.500000|
|3.290900|4.307427|6.559038|5.533426|4.502390|3.802607|5.315675|5.533277|3.386094|5.523978|2.954671|3.630097|2.296005|2.187700|2.437950|3.803727|2.331986|4.578457|5.794012|5.085644|62.598910|2.097029|1.934815|1.802569|6.572334|9.021350|12.373293|6.975737|5.870098|12.575978|8.909247|17.512352|0.090258|0.081855|0.083624|0.137409|0.112142|0.090054|0.115190|0.072752|0.087851|0.060155|0.052762|0.053690|0.047956|0.047221|0.203477|0.142369|0.131504|0.134734|0.218049|0.173972|0.301960|0.500000|
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