Version2.1
2021-01-14T03:01:22Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
27-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CC(C)c1ccccc1Sc2ccc(cc2C(F)(F)F)c3cc[nH+]c(c3)N4CC[C@H](C4)O C28358062
RHF
6-31G(d)
(6D,7F)
CC(C)c1ccccc1Sc2ccc(cc2C(F)(F)F)c3cc[nH+]c(c3)N4CC[C@H](C4)O
C01[X(C25H26F3N2O1S1)]
168
C1
536
O[C@@H]1CCN(C1)c1[nH+]ccc(c1)c1ccc(c(c1)C(F)(F)F)Sc1ccccc1C(C)C
O[C@@H]1CCN(C1)c1[nH+]ccc(c1)c1ccc(c(c1)C(F)(F)F)Sc1ccccc1C(C)C
CC(C)c1ccccc1Sc2ccc(cc2C(F)(F)F)c3cc[nH+]c(c3)N4CC[C@@H](O)C4
InChIKey=ASEPTZPIYTWOSV-LJQANCHMSA-O
InChI=1S/C25H25F3N2OS/c1-16(2)20-5-3-4-6-22(20)32-23-8-7-17(13-21(23)25(26,27)28)18-9-11-29-24(14-18)30-12-10-19(31)15-30/h3-9,11,13-14,16,19,31H,10,12,15H2,1-2H3/p+1/t19-/m1/s1
InChI=1/C25H25F3N2OS/c1-16(2)20-5-3-4-6-22(20)32-23-8-7-17(13-21(23)25(26,27)28)18-9-11-29-24(14-18)30-12-10-19(31)15-30/h3-9,11,13-14,16,19,31H,10,12,15H2,1-2H3/p+1/t19-/m1/s1/fC25H26F3N2OS/h29H/q+1
CC(C)c1ccccc1Sc2ccc(cc2C(F)(F)F)c3cc[nH+]c(c3)N4CC[C@H](C4)O
C01[X(C25H26F3N2O1S1)]
168
C01
536
O[C@@H]1CCN(C1)c1[nH+]ccc(c1)c1ccc(c(c1)C(F)(F)F)Sc1ccccc1C(C)C
O[C@@H]1CC[N@]([C]2[CH][C]([CH]=CN2)[C]2[CH][CH][C]([C]([CH]2)C(F)(F)F)S[C]2[CH][CH][CH][CH][C]2C(C)C)C1
CC(C)[C]1[CH][CH][CH][CH][C]1S[C]2[CH][CH][C]([CH][C]2C(F)(F)F)[C]3[CH][C](NC=C3)N4CC[C@@H](O)C4
InChIKey=KQBMHNQAQHOCSG-LJQANCHMSA-N
InChI=1S/C25H26F3N2OS/c1-16(2)20-5-3-4-6-22(20)32-23-8-7-17(13-21(23)25(26,27)28)18-9-11-29-24(14-18)30-12-10-19(31)15-30/h3-9,11,13-14,16,19,29,31H,10,12,15H2,1-2H3/t19-/m1/s1
InChI=1/C25H26F3N2OS/c1-16(2)20-5-3-4-6-22(20)32-23-8-7-17(13-21(23)25(26,27)28)18-9-11-29-24(14-18)30-12-10-19(31)15-30/h3-9,11,13-14,16,19,29,31H,10,12,15H2,1-2H3/t19-/m1/s1
3331.5743115405
-1841.2679257
1-A
21313.9575
120
416
536
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8.78295
-20.8952 -1.3620 5.7771
21.7218
|XX|YY|ZZ|XY|XZ|YZ|
-39.1379 -160.8032 -186.4463 -15.9336 -15.2783 11.6733
|XX|YY|ZZ|XY|XZ|YZ|
89.6579 -32.0074 -57.6505 -15.9336 -15.2783 11.6733
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-973.3735 -8.3425 -5.2168 -91.9311 -122.9668 146.0575 -14.1040 28.7141 26.5717 -30.9966
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168
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11.7420 19.6439 25.4525 34.1178 40.6856 43.7373 58.9538 62.5807 71.6929 94.4288 114.6955 121.2247 141.4349 147.5597 172.9822 185.5196 199.4690 202.7799 219.7111 233.0526 251.7291 265.0890 275.6387 282.5862 293.5264 301.5978 310.1706 335.4256 352.2605 375.4901 379.8775 383.1750 389.3824 438.8045 461.5214 478.0972 498.6265 507.9565 515.7223 519.8943 531.4341 551.9295 572.7627 600.9290 612.0506 621.9898 629.7601 647.5686 674.9811 710.7210 714.4630 728.3800 735.4582 742.9386 771.4138 804.7745 816.8168 825.6935 828.8400 845.6082 857.1154 866.8361 919.7820 933.1895 940.0784 950.7413 965.0122 969.9393 973.8183 1002.1254 1016.8852 1044.3903 1045.1410 1059.2245 1062.2333 1077.2556 1095.3380 1106.1112 1114.1043 1114.3009 1124.4200 1134.2792 1141.0411 1152.1657 1153.3503 1162.1310 1170.5646 1209.8638 1221.3495 1223.7636 1225.9802 1234.6660 1236.6175 1249.5429 1253.3704 1285.4810 1286.2176 1293.1083 1316.6371 1326.3818 1331.1551 1335.0489 1349.0289 1363.1372 1365.2526 1374.3557 1388.4063 1394.1193 1416.9630 1421.0895 1422.7540 1456.9117 1469.1312 1485.0989 1486.0670 1508.2660 1510.4417 1516.0514 1540.8589 1555.5951 1565.8709 1575.3494 1593.4293 1604.2473 1604.8594 1631.3165 1631.4484 1638.1879 1640.5977 1641.7472 1649.0801 1657.5380 1659.1764 1664.6901 1676.0751 1685.7449 1743.0146 1760.9523 1794.8980 1805.9548 1812.3009 1840.0619 3203.7923 3207.9567 3209.8415 3212.2080 3245.9922 3249.3393 3263.5808 3265.7284 3266.2928 3269.4257 3279.7572 3295.7420 3303.6863 3310.8466 3367.5385 3379.7374 3380.9854 3389.1767 3398.6051 3422.2730 3424.4074 3429.7285 3444.6204 3449.4489 3867.3803 4108.5032
5.3758 4.1347 7.5262 4.4248 5.4234 3.0291 5.6547 6.9608 4.0211 4.7631 6.2581 3.7071 5.8971 7.3231 3.5142 4.1590 4.0657 2.8658 3.5860 3.6972 1.1815 1.5091 3.9889 2.5525 3.4781 1.1286 6.7336 6.3657 5.1524 3.8219 4.1229 5.1990 4.0545 6.3683 5.3305 4.0665 3.8438 3.8749 3.9748 3.4052 3.7382 4.0734 5.1244 5.4508 3.4152 4.1681 3.6775 7.4819 2.9650 1.6787 5.6468 7.1483 6.3997 5.4424 3.3543 7.8533 3.2311 4.5624 4.5539 4.2713 4.4074 1.2539 1.4813 2.2795 2.6100 1.3947 2.5701 2.0250 1.8120 1.3820 1.1506 1.5497 4.2980 1.4739 1.4464 2.1332 1.3562 1.3188 3.5254 1.4496 3.0003 1.3476 5.4966 3.3963 3.3391 1.9326 1.9616 2.4528 2.9013 2.2677 2.3705 2.0488 2.0728 3.7940 2.8233 1.7859 1.6645 2.5248 1.4651 1.4685 1.1469 1.8970 1.6006 1.9194 2.2918 8.7525 2.3057 1.9422 1.6961 1.3851 2.0532 1.3380 2.3765 1.3194 1.3985 1.5047 1.3873 1.4541 1.5189 1.2542 3.6663 1.2309 2.4370 1.7145 1.9580 2.0637 1.0506 1.0784 1.1244 1.5673 1.0521 1.3078 2.6251 1.1106 1.1225 6.2726 6.0315 5.0877 5.1559 4.8913 2.6293 5.5042 1.0357 1.0835 1.0362 1.0655 1.0621 1.0668 1.0985 1.1003 1.1015 1.1034 1.1033 1.0913 1.1082 1.1096 1.0876 1.0909 1.0915 1.0946 1.0987 1.0919 1.0937 1.0915 1.1009 1.0928 1.0794 1.0673
0.0004 0.0009 0.0029 0.0030 0.0053 0.0034 0.0116 0.0161 0.0122 0.0250 0.0485 0.0321 0.0695 0.0939 0.0620 0.0843 0.0953 0.0694 0.1020 0.1183 0.0441 0.0625 0.1786 0.1201 0.1766 0.0605 0.3817 0.4220 0.3767 0.3175 0.3505 0.4497 0.3622 0.7225 0.6690 0.5477 0.5631 0.5891 0.6229 0.5423 0.6220 0.7311 0.9905 1.1597 0.7538 0.9501 0.8593 1.8486 0.7959 0.4996 1.6983 2.2345 2.0395 1.7699 1.1761 2.9967 1.2701 1.8327 1.8432 1.7995 1.9077 0.5551 0.7383 1.1696 1.3590 0.7428 1.4102 1.1224 1.0124 0.8177 0.7010 0.9959 2.7661 0.9743 0.9616 1.4585 0.9587 0.9507 2.5781 1.0605 2.2349 1.0215 4.2164 2.6564 2.6170 1.5378 1.5836 2.1153 2.5499 2.0009 2.0992 1.8401 1.8676 3.4902 2.6131 1.7387 1.6224 2.4874 1.4964 1.5222 1.1974 1.9921 1.7162 2.1013 2.5168 9.7404 2.6187 2.2241 2.0064 1.6481 2.4487 1.6733 3.0221 1.7145 1.8197 2.0167 1.8647 1.9691 2.1248 1.7882 5.2964 1.7999 3.6456 2.5997 2.9712 3.2357 1.6475 1.7051 1.7831 2.4889 1.6857 2.1170 4.2577 1.8134 1.8579 10.5022 10.7964 9.2953 9.7867 9.3992 5.0880 10.9801 6.2634 6.5695 6.2899 6.4776 6.5937 6.6365 6.8935 6.9136 6.9239 6.9488 6.9927 6.9840 7.1261 7.1665 7.2670 7.3420 7.3511 7.4082 7.4771 7.5348 7.5564 7.5646 7.6961 7.6613 9.5116 10.6151
0.4872 0.2866 0.6458 1.0356 0.9177 0.0541 0.6961 0.1000 0.6667 0.7858 0.5069 0.3584 0.2125 0.8021 3.2722 1.4373 6.4494 0.9433 2.9526 0.1362 0.2143 0.0370 1.9744 0.7595 1.4709 147.0912 0.1586 2.6283 7.2814 1.6413 4.6282 2.4482 1.1574 1.5542 9.7415 5.7880 2.7557 3.4859 3.1890 7.0647 10.9513 5.3574 4.6348 8.6967 3.4823 6.6284 0.2144 8.8001 21.1345 54.2735 10.8087 11.0184 6.9053 2.2941 38.1107 10.3809 16.1965 0.6103 1.1829 1.2798 13.9177 46.9631 34.6281 2.1419 24.1435 31.9408 0.5340 11.9579 17.3861 0.3577 0.4218 0.3447 18.8413 7.8363 8.2814 2.4436 1.0794 0.2037 19.5045 2.6833 5.2248 0.2449 74.3166 33.9013 4.0536 65.8125 6.6014 7.4710 78.2122 6.9744 15.2171 8.3167 2.7891 31.1508 85.1034 18.3600 13.5593 4.1178 12.2530 0.8662 53.6099 7.4293 38.7147 95.1116 39.3038 251.0129 451.6587 218.2611 2.2949 107.3229 100.6285 0.2329 232.2677 1.7986 6.6877 113.5611 11.4738 20.5351 4.0108 2.6954 14.8235 2.0828 88.3835 36.7370 16.4719 265.0796 2.8759 3.2335 3.8574 3.7529 4.6876 9.6431 18.1335 1.3076 81.2978 57.9489 121.0109 2.7209 15.1123 556.7707 685.9606 747.2290 33.2976 22.9693 26.4863 40.1596 11.3595 11.7333 19.8052 21.2490 33.7018 19.1562 33.0349 54.1891 17.9588 22.5381 0.8551 7.2843 6.7673 22.5377 16.6674 0.8616 0.4011 1.7561 0.8889 0.3724 165.2495 120.9771
1.1896 2.2626 1.2379 4.2877 1.4068 1.7589 0.3116 1.3163 4.6296 1.2294 0.6533 4.0903 6.3891 3.6260 3.0166 2.9441 3.9592 2.4080 1.0245 1.0151 0.8115 0.4533 3.3189 1.3460 1.7469 3.3583 2.6599 5.9290 7.6851 1.1080 12.5661 0.5657 2.3236 1.9155 4.1779 7.8830 2.8190 3.5054 2.8489 12.9463 1.2833 2.7590 1.0786 1.1822 1.6672 1.8087 4.2503 2.8110 3.3050 0.7998 1.1361 4.0560 7.0124 5.9841 1.6244 12.2014 4.0373 4.5032 1.6782 1.0339 1.3985 1.3992 12.5469 1.3637 3.3715 0.4885 7.5579 13.0654 7.8843 0.8405 0.6459 6.4337 26.7740 11.9408 13.2546 16.4489 0.2176 3.7176 28.3033 1.3555 24.0947 0.1714 58.6176 28.4095 12.9612 5.4491 9.9724 8.1523 119.3345 36.2760 16.7349 28.7653 11.3022 10.6243 13.6997 1.8002 3.9277 31.1474 5.7433 0.9701 7.5246 20.7345 11.8456 16.5662 194.0789 57.4158 706.9802 77.8386 0.9317 11.8377 49.2817 1.7822 59.7200 5.9892 66.2577 183.8072 8.2592 8.5017 10.8819 1.4830 44.3340 0.6588 96.6570 76.4628 1.7936 111.8784 16.1266 4.0779 22.2913 3.1841 31.2410 3.3739 16.4591 1.8622 18.6452 90.5198 284.4887 16.0973 52.1855 1636.3302 111.9235 168.0962 16.4927 37.5754 165.3274 137.0623 16.5170 156.0295 78.9155 84.3878 80.4797 37.5242 78.5601 30.6006 115.9798 41.7252 43.5140 94.1220 33.0139 65.5080 253.9482 35.8954 89.1221 28.3967 129.2924 42.0501 26.1663 148.1079
0.6363 0.7418 0.7142 0.6601 0.7490 0.7122 0.5649 0.6476 0.5649 0.6775 0.7159 0.7398 0.5873 0.3010 0.4721 0.5834 0.7044 0.4835 0.4570 0.5818 0.7456 0.3802 0.4080 0.7495 0.1841 0.7489 0.7469 0.4528 0.1840 0.5417 0.4201 0.5535 0.7261 0.4329 0.5714 0.3668 0.4663 0.3289 0.7193 0.1301 0.7305 0.7364 0.7499 0.7170 0.5299 0.3846 0.6569 0.4879 0.3313 0.6219 0.2523 0.4171 0.1122 0.1363 0.5789 0.1249 0.2547 0.0301 0.6403 0.1614 0.7281 0.6523 0.3711 0.2486 0.1163 0.6490 0.6373 0.1776 0.5849 0.7496 0.5390 0.7396 0.3530 0.3963 0.4868 0.2172 0.6130 0.4247 0.3875 0.7022 0.1145 0.4495 0.2186 0.2806 0.3262 0.7036 0.4115 0.2209 0.3861 0.3724 0.3519 0.2602 0.6603 0.7003 0.4164 0.1941 0.4379 0.2651 0.4508 0.7491 0.6084 0.1243 0.4884 0.3868 0.3571 0.2988 0.3034 0.2835 0.2610 0.5713 0.3182 0.7270 0.3233 0.6572 0.3950 0.2532 0.4631 0.6938 0.1681 0.6989 0.3041 0.7421 0.2957 0.2915 0.5961 0.4288 0.7382 0.7491 0.6449 0.7158 0.7116 0.5841 0.5242 0.2980 0.7495 0.2584 0.3670 0.4878 0.5860 0.3874 0.5175 0.5411 0.0661 0.5770 0.0184 0.1361 0.6953 0.1013 0.6667 0.2657 0.7493 0.7148 0.7253 0.0425 0.6172 0.5439 0.7438 0.7500 0.5351 0.4868 0.1228 0.5591 0.2593 0.7496 0.1560 0.1731 0.4014 0.3261
0.7777 0.8517 0.8333 0.7953 0.8565 0.8319 0.7219 0.7861 0.7220 0.8078 0.8345 0.8504 0.7400 0.4627 0.6414 0.7369 0.8266 0.6518 0.6274 0.7356 0.8543 0.5509 0.5796 0.8568 0.3110 0.8564 0.8551 0.6234 0.3108 0.7027 0.5917 0.7125 0.8413 0.6043 0.7273 0.5367 0.6361 0.4950 0.8367 0.2302 0.8443 0.8482 0.8571 0.8352 0.6927 0.5555 0.7929 0.6558 0.4977 0.7669 0.4030 0.5887 0.2017 0.2400 0.7333 0.2221 0.4061 0.0584 0.7807 0.2779 0.8427 0.7896 0.5413 0.3982 0.2083 0.7872 0.7785 0.3016 0.7381 0.8569 0.7005 0.8503 0.5218 0.5677 0.6548 0.3569 0.7601 0.5962 0.5586 0.8250 0.2055 0.6202 0.3587 0.4383 0.4920 0.8260 0.5830 0.3618 0.5571 0.5427 0.5206 0.4130 0.7954 0.8237 0.5879 0.3251 0.6091 0.4191 0.6214 0.8566 0.7566 0.2211 0.6562 0.5578 0.5263 0.4601 0.4656 0.4418 0.4139 0.7272 0.4827 0.8419 0.4886 0.7932 0.5663 0.4041 0.6330 0.8192 0.2878 0.8228 0.4664 0.8520 0.4564 0.4515 0.7470 0.6002 0.8494 0.8566 0.7841 0.8344 0.8315 0.7374 0.6879 0.4591 0.8568 0.4107 0.5369 0.6557 0.7389 0.5584 0.6821 0.7022 0.1240 0.7318 0.0362 0.2396 0.8203 0.1840 0.8000 0.4199 0.8567 0.8337 0.8408 0.0816 0.7633 0.7046 0.8531 0.8571 0.6971 0.6549 0.2187 0.7172 0.4118 0.8569 0.2699 0.2951 0.5728 0.4918
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58
6 6 6 6 6 6 6 6 6 16 6 6 6 6 6 6 6 9 9 9 6 6 6 7 1 6 6 7 6 6 6 1 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
9516.5398 31783.3807 36602.1427
0.99993 -0.00775 0.00923 0.00755 0.99974 0.02162 -0.00939 -0.02155 0.99972
1
0.00910 0.00273 0.00237
0.18964 0.05678 0.04931
16.89 28.26 36.62 49.09 58.54 62.93 84.82 90.04 103.15 135.86 165.02 174.42 203.49 212.31 248.88 266.92 286.99 291.75 316.12 335.31 362.18 381.40 396.58 406.58 422.32 433.93 446.27 482.60 506.82 540.25 546.56 551.30 560.23 631.34 664.03 687.88 717.41 730.84 742.01 748.01 764.62 794.10 824.08 864.60 880.60 894.90 906.08 931.71 971.15 1022.57 1027.95 1047.98 1058.16 1068.92 1109.89 1157.89 1175.22 1187.99 1192.52 1216.64 1233.20 1247.18 1323.36 1342.65 1352.56 1367.90 1388.44 1395.53 1401.11 1441.83 1463.07 1502.64 1503.72 1523.99 1528.32 1549.93 1575.95 1591.45 1602.95 1603.23 1617.79 1631.97 1641.70 1657.71 1659.41 1672.05 1684.18 1740.72 1757.25 1760.72 1763.91 1776.41 1779.22 1797.81 1803.32 1849.52 1850.58 1860.49 1894.35 1908.37 1915.24 1920.84 1940.95 1961.25 1964.29 1977.39 1997.61 2005.83 2038.69 2044.63 2047.03 2096.17 2113.75 2136.73 2138.12 2170.06 2173.19 2181.26 2216.95 2238.15 2252.94 2266.58 2292.59 2308.15 2309.03 2347.10 2347.29 2356.99 2360.45 2362.11 2372.66 2384.83 2387.18 2395.12 2411.50 2425.41 2507.81 2533.62 2582.46 2598.37 2607.50 2647.44 4609.54 4615.53 4618.25 4621.65 4670.26 4675.07 4695.56 4698.65 4699.47 4703.97 4718.84 4741.84 4753.27 4763.57 4845.14 4862.69 4864.48 4876.27 4889.83 4923.89 4926.96 4934.61 4956.04 4962.99 5564.30 5911.22
0.504646
0.532396
0.533341
0.442551
-1840.763280
-1840.735529
-1840.734585
-1840.825375
3.045112D-04
MUNgauss
RevisionA2.0
retrievium
14-Jan-2021
DUDE CC(C)c1ccccc1Sc2ccc(cc2C(F)(F)F)c3cc[nH+]c(c3)N4CC[C@H](C4)O C28358062
RHF
6-31G(d)
(6D,10F)
C1
459.171795
|X|Y|Z|
62.285422 38.065450 126.432592
66.925579
24
|36.858105|
|12.404107|36.858105|
|7.515534|12.404211|36.858105|
|7.511234|12.485561|7.543049|36.858105|
|6.182988|7.561757|6.123923|13.660132|36.858105|
|4.346741|4.999592|4.345099|7.838891|13.783943|36.858105|
|3.724981|4.384720|3.754324|6.755033|7.942852|13.754145|36.858105|
|3.960961|4.941603|4.015603|7.838210|6.930450|7.994706|13.798746|36.858105|
|5.211631|7.377225|5.293680|13.602134|7.993030|6.884574|7.893247|13.662190|36.858105|
|4.382623|5.904296|4.540249|6.789112|4.682619|4.185081|4.739216|7.022117|10.643114|388.023441|
|4.494264|5.154858|3.802232|5.365640|3.987016|3.569418|3.895802|5.168926|6.777815|76.014157|36.858105|
|4.478553|4.677399|3.430744|5.167114|4.109077|3.782703|4.130050|5.239240|6.239860|48.817364|13.669463|36.858105|
|3.877401|3.752836|2.892195|3.903489|3.318100|3.094756|3.283724|3.859149|4.327877|33.348083|7.886060|13.825257|36.858105|
|3.463731|3.349403|2.676253|3.293734|2.802017|2.590918|2.715943|3.159862|3.573853|29.473970|6.768043|7.910095|13.689791|36.858105|
|3.484835|3.524317|2.848254|3.352227|2.767453|2.522457|2.648919|3.148925|3.676029|33.375098|7.890424|6.918992|7.984312|13.704485|36.858105|
|3.892901|4.247941|3.354771|4.047795|3.173896|2.851795|3.033714|3.771447|4.639952|48.860453|13.582763|7.945885|6.878331|7.873274|13.776263|36.858105|
|3.454233|3.908964|3.318501|3.591029|2.848999|2.557716|2.698908|3.302662|4.020853|43.437757|7.473734|5.005113|4.448762|5.035922|7.670587|12.585350|36.858105|
|2.943086|3.172730|2.787923|2.906251|2.402138|2.183827|2.283538|2.701275|3.155764|30.566948|5.216238|4.021510|3.896938|4.724758|7.203824|8.128454|14.385683|97.533100|
|3.925515|4.581743|3.982855|3.895272|3.035736|2.641610|2.709600|3.264810|4.122347|42.259782|6.271489|4.419002|3.869558|4.186410|5.697940|8.119787|14.435873|20.174818|97.533100|
|3.028512|3.536854|3.106165|3.423438|2.751756|2.533788|2.743714|3.409816|4.008558|45.604602|6.422728|4.446642|3.842441|4.110895|5.545307|8.105695|14.446531|20.165693|20.106616|97.533100|
|2.897781|2.731612|2.267529|2.671139|2.362463|2.214450|2.294456|2.575650|2.821275|22.304914|4.438209|5.054893|7.609554|12.891711|7.654129|5.054995|3.834653|8.744802|7.457244|7.312479|36.858105|
|2.716955|2.532754|2.154305|2.400733|2.134615|1.981250|2.021173|2.242321|2.475875|19.607604|3.691413|3.908526|5.118522|7.557268|6.352582|4.374636|3.619156|8.753454|7.247231|6.793944|13.311620|36.858105|
|2.332504|2.169611|1.885678|2.073345|1.883143|1.767975|1.798144|1.961192|2.124719|16.469840|2.947029|3.133330|3.940826|5.097664|4.425352|3.356814|2.910806|7.068291|5.947171|5.669125|7.980090|14.212467|36.858105|
|2.145704|2.004043|1.746393|1.957202|1.803759|1.719749|1.759368|1.901308|2.018915|15.377132|2.710252|2.961817|3.743703|4.520079|3.768688|2.970637|2.562517|6.077881|5.227243|5.137892|6.960451|8.090209|13.961292|53.358707|
|1.951518|1.823843|1.609439|1.781533|1.657408|1.586729|1.618078|1.733223|1.828375|13.815017|2.373860|2.568705|3.141147|3.656010|3.162371|2.577766|2.275949|5.411470|4.697000|4.618267|5.103071|5.887032|9.383197|26.019702|0.500000|
|2.211016|2.078211|1.790793|2.073257|1.915944|1.846983|1.909762|2.067061|2.167307|16.374691|2.921861|3.313562|4.340377|5.032814|3.924552|3.112769|2.607148|6.019762|5.255583|5.295408|7.858671|6.827960|7.990701|19.231179|0.260610|36.858105|
|2.552323|2.412759|2.030669|2.425873|2.203250|2.114249|2.206785|2.433468|2.574945|19.698898|3.708560|4.378807|6.339168|7.677225|5.201303|3.938046|3.114418|7.025743|6.144850|6.242294|13.889577|7.896511|6.953406|11.000681|0.161966|13.484223|36.858105|
|1.981142|1.872207|1.631461|1.893034|1.778066|1.739278|1.803623|1.925968|1.980662|14.712662|2.538920|2.881238|3.607291|3.891023|3.160220|2.634556|2.250984|5.151719|4.580605|4.679213|5.215331|4.631299|5.328374|11.253491|0.212074|14.376316|7.888921|53.358707|
|1.743877|1.649531|1.461396|1.657456|1.569645|1.537517|1.584725|1.676511|1.719705|12.734996|2.136729|2.362749|2.835057|3.053220|2.612347|2.227140|1.961634|4.539372|4.041806|4.109227|3.890682|3.772795|4.562972|9.212414|0.217347|7.695973|5.030307|17.612162|36.858105|
|1.607095|1.533950|1.366952|1.561831|1.493748|1.482393|1.537197|1.613419|1.629060|11.948070|1.965580|2.176693|2.548101|2.650257|2.296760|2.012096|1.784105|4.084652|3.683333|3.801522|3.183578|2.992271|3.391251|6.087409|0.133766|5.243943|4.035989|11.021174|12.474653|36.858105|
|1.721745|1.639865|1.448787|1.691807|1.628102|1.628872|1.695350|1.770287|1.770270|12.791901|2.111201|2.396846|2.824247|2.828848|2.392455|2.113641|1.842679|4.143406|3.805544|3.934248|3.327476|2.977377|3.223999|5.623048|0.115416|5.250924|4.360000|11.030435|7.926367|12.458169|36.858105|
|1.737044|1.636550|1.447335|1.684742|1.634549|1.633208|1.683271|1.740660|1.743284|12.427942|2.040948|2.328294|2.732230|2.702150|2.282499|2.028714|1.769679|3.961106|3.695414|3.760461|3.154487|2.858944|3.098665|5.318090|0.110188|4.784380|4.025072|9.257950|6.837746|8.831547|17.525080|0.500000|
|1.956504|1.864597|1.621587|1.926582|1.828441|1.818468|1.905547|2.020818|2.035858|14.877423|2.533951|2.938560|3.616696|3.641808|2.951243|2.543852|2.160421|4.839385|4.397139|4.570918|4.440166|3.725810|3.934220|7.045861|0.133631|7.744296|6.524666|17.665364|7.806771|7.950895|12.479833|0.246461|36.858105|
|1.622018|1.563711|1.388737|1.632772|1.581162|1.602396|1.683471|1.749427|1.722568|12.389343|2.008030|2.269586|2.602688|2.555487|2.200380|1.986223|1.744485|3.895340|3.600530|3.781401|2.877209|2.556130|2.688717|4.451415|0.090281|4.021220|3.627936|7.357529|5.222676|7.746105|13.717822|0.258314|8.071673|73.516695|
|17.550040|8.808285|6.877858|5.487119|4.648925|3.507104|3.094643|3.302851|4.210352|27.543736|4.050868|3.913033|3.542008|3.330970|3.429098|3.754842|3.452495|6.779387|9.106690|6.674536|2.846427|2.757460|2.371508|2.922720|0.054435|2.171193|2.473745|2.631853|1.716854|1.570074|1.662939|0.046613|1.881207|2.768668|0.500000|
|17.547372|8.742719|5.465573|6.880955|5.673453|4.253886|3.774916|4.074706|5.280721|32.061386|5.109880|5.483077|4.805412|4.129097|3.982937|4.330972|3.609353|6.927274|8.833277|7.004645|3.384950|3.098295|2.617542|3.279351|0.060190|2.509858|2.955231|3.029459|1.929626|1.766901|1.908444|0.053550|2.198764|3.173235|0.301249|0.500000|
|17.560029|8.709289|6.792089|6.688767|6.626209|4.599686|3.723095|3.732227|4.604323|26.332642|3.699565|3.806599|3.372346|2.994490|2.950342|3.221874|2.896603|5.673819|7.252012|5.870335|2.583633|2.428227|2.130807|2.707223|0.050726|2.054308|2.334866|2.542433|1.657547|1.539845|1.656045|0.046737|1.859448|2.785370|0.302306|0.301650|0.500000|
|8.973196|17.630980|8.990949|8.951723|5.616322|4.180908|3.950319|4.718382|7.193968|51.497913|6.362427|5.190102|4.092589|3.761957|4.162762|5.325211|4.983212|8.670434|13.923279|9.773128|2.981381|2.771167|2.331052|2.890628|0.053331|2.191919|2.570743|2.655685|1.712059|1.581522|1.679802|0.046232|1.926015|2.838458|0.217521|0.212736|0.173846|0.500000|
|6.776895|8.721125|17.555531|6.744884|6.587271|4.618150|3.768088|3.793466|4.680440|27.088188|3.273360|3.081107|2.644428|2.424949|2.520085|2.886307|2.812799|5.440742|7.325422|5.990286|2.092674|1.987746|1.762389|2.243108|0.042426|1.693526|1.903296|2.119320|1.401444|1.317947|1.401329|0.039086|1.556095|2.394733|0.168134|0.138845|0.199979|0.174108|0.500000|
|5.470305|8.757340|17.567633|6.911713|5.577667|4.239141|3.819623|4.172852|5.426378|34.297906|3.736509|3.278702|2.735882|2.545599|2.747921|3.297603|3.366624|6.302996|9.090194|7.356660|2.154042|2.040614|1.791426|2.266662|0.042705|1.711581|1.938897|2.131369|1.405813|1.321686|1.397998|0.038597|1.562224|2.397339|0.140823|0.122373|0.138899|0.214196|0.301581|0.500000|
|6.892752|8.801068|17.552086|5.497001|4.627509|3.507960|3.110994|3.331813|4.247922|28.247495|3.511454|3.146762|2.736951|2.605900|2.808805|3.254647|3.307213|6.388795|9.219202|6.822845|2.236730|2.168631|1.901658|2.373089|0.044743|1.765651|1.985758|2.179835|1.442817|1.341766|1.410919|0.039179|1.575069|2.391962|0.207086|0.140700|0.169428|0.217064|0.301817|0.301452|0.500000|
|6.567802|7.080264|6.399186|8.921904|17.730781|8.989912|5.665145|4.983081|5.666582|27.442032|3.436390|3.537568|2.988217|2.581209|2.545629|2.856096|2.603048|5.034807|6.331278|5.589609|2.222145|2.041607|1.816310|2.362727|0.044548|1.826515|2.072970|2.311070|1.511154|1.435101|1.557665|0.043718|1.734379|2.678124|0.138273|0.156696|0.225047|0.141986|0.217169|0.151139|0.136469|0.500000|
|3.772452|4.097695|3.759841|5.610777|8.944322|17.719172|8.910114|5.667406|4.958267|24.076142|2.989262|3.186497|2.715028|2.307481|2.231502|2.469089|2.238777|4.383950|5.198736|4.987980|2.017309|1.820765|1.645201|2.192050|0.041563|1.725681|1.948055|2.233027|1.462424|1.418225|1.559674|0.043681|1.720495|2.737686|0.086988|0.102153|0.114984|0.096367|0.114940|0.101312|0.086858|0.217774|0.500000|
|3.094955|3.515428|3.119617|4.891400|5.642240|8.886094|17.728889|8.926509|5.625003|27.963576|3.346498|3.573532|2.952023|2.471031|2.393857|2.688745|2.414812|4.679660|5.387565|5.584727|2.128783|1.877441|1.689571|2.273059|0.042895|1.820057|2.082269|2.368932|1.537188|1.507112|1.668121|0.045964|1.858238|2.978025|0.073413|0.087609|0.086651|0.090006|0.087673|0.088693|0.073831|0.124434|0.213784|0.500000|
|3.340755|4.041353|3.393401|5.611508|4.983275|5.669253|8.936346|17.734693|8.925653|48.526265|5.088537|5.076081|3.800789|3.150356|3.156951|3.778535|3.328468|6.153147|7.153839|8.010828|2.574146|2.224714|1.951274|2.590879|0.048201|2.082874|2.456112|2.654550|1.695585|1.642038|1.801393|0.048754|2.061266|3.192944|0.080018|0.096495|0.086898|0.112354|0.088413|0.099288|0.080875|0.108059|0.124350|0.215174|0.500000|
|4.543994|4.793756|3.503506|5.894298|4.833100|4.598086|5.169469|6.617218|7.386649|46.568871|8.919671|17.781027|8.993737|5.649978|4.980950|5.649279|4.071753|7.505895|8.466149|8.554131|4.123157|3.290710|2.746272|3.613604|0.065028|2.985296|3.803823|3.647205|2.221526|2.084119|2.327155|0.063342|2.804730|3.973419|0.105881|0.153264|0.111254|0.138036|0.089448|0.093008|0.086824|0.111334|0.104983|0.121422|0.170981|0.500000|
|3.597542|3.378605|2.655665|3.581120|3.195576|3.048776|3.208756|3.611483|3.868043|27.701228|5.641003|9.004409|17.726440|8.874856|5.655035|4.955960|3.556493|7.220979|7.187906|7.132655|6.981484|4.740542|3.866170|5.253150|0.090375|4.680415|6.841817|5.427303|3.060001|2.769552|3.172210|0.086238|4.144110|5.157433|0.090762|0.124072|0.090101|0.098267|0.069000|0.069423|0.069663|0.080830|0.075638|0.081501|0.098330|0.218967|0.500000|
|3.064689|3.081198|2.587292|2.883709|2.428214|2.223120|2.317140|2.702226|3.102434|27.722266|5.644233|4.981110|5.664436|8.911097|17.781235|9.009072|7.233515|19.179600|12.216559|11.799280|7.065739|6.971845|4.820228|5.328973|0.091674|3.878537|4.842009|4.220629|2.619394|2.275719|2.313676|0.061079|2.815471|3.763534|0.086032|0.094638|0.073129|0.100142|0.063893|0.069698|0.072196|0.062964|0.055346|0.058826|0.075541|0.108086|0.124044|0.500000|
|2.880502|2.684578|2.291529|2.477647|2.176075|1.991128|2.016400|2.247950|2.528923|20.353560|3.813217|3.844400|4.751836|6.923804|6.852810|4.723758|4.034397|10.062634|8.204969|7.298788|8.712341|17.794034|9.109869|7.803466|0.128636|4.935188|5.620949|5.002997|3.132364|2.565936|2.551886|0.068651|3.088936|3.978773|0.082995|0.090235|0.070504|0.082898|0.058138|0.060119|0.064943|0.058070|0.050656|0.051644|0.061531|0.089282|0.117603|0.228022|0.500000|
|2.181720|2.027317|1.789891|1.917857|1.750405|1.639507|1.656913|1.796050|1.947260|15.057484|2.620852|2.726746|3.289717|4.101785|3.786097|2.987205|2.688282|6.629188|5.595471|5.257885|5.619051|8.945318|17.777581|12.560329|0.231178|5.757680|5.002768|5.935830|4.063957|3.077528|2.861175|0.077201|3.325585|4.294141|0.062421|0.066953|0.055658|0.060360|0.046574|0.047253|0.050595|0.047261|0.042593|0.043314|0.049509|0.067249|0.089286|0.116990|0.214462|0.500000|
|2.542132|2.434234|2.039065|2.514038|2.297538|2.240569|2.374144|2.620700|2.715743|20.501278|3.837711|4.734610|6.869367|7.060954|4.831026|3.877146|3.033605|6.658640|5.965311|6.232254|8.972337|5.617196|5.003202|7.812236|0.127531|8.903205|17.820281|9.734799|4.614308|4.015860|4.638527|0.117018|7.367714|7.119290|0.067195|0.081879|0.065035|0.071460|0.053304|0.054354|0.054707|0.059407|0.057244|0.062661|0.074254|0.116990|0.223782|0.119867|0.123328|0.108544|0.500000|
|1.742498|1.629770|1.448092|1.626764|1.548599|1.510398|1.541679|1.619662|1.668358|12.238233|2.042427|2.257802|2.694351|2.882309|2.475338|2.122151|1.876688|4.335219|3.915974|3.908038|3.644491|3.646558|4.491655|8.801584|0.221815|6.609163|4.508260|12.290567|17.537698|8.746291|6.566118|0.183918|6.161546|7.981095|0.047877|0.053527|0.046234|0.046747|0.038718|0.038498|0.039852|0.041713|0.040070|0.041450|0.045130|0.059259|0.081105|0.068928|0.085228|0.114619|0.113338|0.500000|
|1.681273|1.600842|1.425918|1.598245|1.504722|1.468883|1.515988|1.612696|1.661745|12.469546|2.086744|2.263691|2.690123|2.971209|2.606924|2.211855|1.974685|4.639641|4.052047|4.139001|3.792325|3.829643|4.782495|9.518000|0.241986|6.942469|4.670963|12.253516|17.575795|8.755934|5.736204|0.138142|5.886047|7.665195|0.046271|0.051335|0.044195|0.046451|0.037841|0.038235|0.039275|0.040238|0.038729|0.040792|0.045440|0.058603|0.078580|0.074156|0.088909|0.121615|0.116166|0.299743|0.500000|
|1.500866|1.429258|1.283502|1.451317|1.396868|1.387077|1.430368|1.490383|1.503402|10.957210|1.779105|1.955436|2.253715|2.331559|2.050904|1.817178|1.629052|3.731655|3.394873|3.478091|2.750930|2.643647|3.001861|5.199599|0.117149|4.208347|3.347728|7.900192|8.747807|17.597914|8.663396|0.216173|5.665386|11.454201|0.040859|0.045550|0.040180|0.040754|0.034515|0.034459|0.035074|0.037481|0.037070|0.039043|0.041988|0.052355|0.067713|0.056643|0.064159|0.077777|0.091920|0.219638|0.194422|0.500000|
|1.548346|1.493765|1.335136|1.525073|1.453457|1.446786|1.511053|1.593838|1.603630|11.873164|1.943759|2.130411|2.468880|2.583576|2.272387|1.999006|1.785113|4.104638|3.659283|3.837262|3.059722|2.867010|3.202928|5.585233|0.120542|4.764871|3.822754|9.202935|8.824230|17.577934|8.915068|0.174897|6.886403|13.150994|0.042001|0.047063|0.041094|0.042956|0.035668|0.036059|0.036376|0.038637|0.038372|0.041272|0.045409|0.056515|0.073408|0.062896|0.068817|0.081034|0.107020|0.174120|0.222695|0.300970|0.500000|
|1.916950|1.856971|1.616548|1.933896|1.825169|1.826617|1.940356|2.076684|2.075702|15.365638|2.611329|3.004154|3.646447|3.675869|3.023212|2.623406|2.230996|4.994998|4.481546|4.781592|4.333170|3.570770|3.664483|6.272657|0.117658|6.603901|6.199172|12.255083|6.214342|6.676867|8.874642|0.175856|17.579369|13.902386|0.051034|0.059530|0.050394|0.053580|0.042933|0.043590|0.043474|0.047710|0.047799|0.052798|0.059654|0.079411|0.113253|0.080034|0.083194|0.086411|0.207907|0.135058|0.146485|0.136105|0.188487|0.500000|
|2.130949|2.013056|1.732301|2.096717|1.999141|1.991781|2.082423|2.197765|2.209157|15.860405|2.722247|3.258171|4.077015|3.908742|3.076465|2.671675|2.230213|4.913750|4.566142|4.696391|4.633461|3.748243|3.805846|6.488724|0.119797|6.987926|6.785314|12.277001|5.853975|5.731378|8.740225|0.223198|17.624563|11.817125|0.056373|0.067318|0.056415|0.057362|0.046302|0.046107|0.046481|0.052578|0.052306|0.056267|0.061827|0.087548|0.137145|0.079574|0.086920|0.088940|0.230372|0.144323|0.128442|0.126617|0.138866|0.299624|0.500000|
|1.525073|1.468106|1.312954|1.530907|1.492747|1.515849|1.584641|1.633368|1.605136|11.470134|1.835919|2.059477|2.328771|2.282808|1.990712|1.813107|1.607742|3.591305|3.344313|3.492262|2.544912|2.303430|2.432625|3.968113|0.081750|3.451163|3.115641|6.090402|4.590360|6.788036|9.812518|0.235350|5.958099|35.731670|0.040752|0.046354|0.041156|0.041458|0.035523|0.035415|0.035377|0.039695|0.040719|0.043951|0.046432|0.056686|0.071668|0.053396|0.056691|0.061656|0.093647|0.114909|0.107231|0.178777|0.176934|0.156682|0.145729|0.500000|
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