Version2.1
2021-01-14T11:30:17Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
11-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCCn1c2ccc(cc2nc1SCc3cc(cc(c3F)F)F)S(=O)(=O)N4CCOCC4 C23454001
RHF
6-31G(d)
(6D,7F)
CCCn1c2ccc(cc2nc1SCc3cc(cc(c3F)F)F)S(=O)(=O)N4CCOCC4
C01[X(C21H22F3N3O3S2)]
156
C1
532
CCCn1c(SCc2cc(F)cc(c2F)F)nc2c1ccc(c2)S(=O)(=O)N1CCOCC1
CCCn1c(SCc2cc(F)cc(c2F)F)nc2c1ccc(c2)S(=O)(=O)N1CCOCC1
CCCn1c(SCc2cc(F)cc(F)c2F)nc3cc(ccc13)[S](=O)(=O)N4CCOCC4
InChIKey=KEUSFTSTAALAQZ-UHFFFAOYSA-N
InChI=1S/C21H22F3N3O3S2/c1-2-5-27-19-4-3-16(32(28,29)26-6-8-30-9-7-26)12-18(19)25-21(27)31-13-14-10-15(22)11-17(23)20(14)24/h3-4,10-12H,2,5-9,13H2,1H3
InChI=1/C21H22F3N3O3S2/c1-2-5-27-19-4-3-16(32(28,29)26-6-8-30-9-7-26)12-18(19)25-21(27)31-13-14-10-15(22)11-17(23)20(14)24/h3-4,10-12H,2,5-9,13H2,1H3
CCCn1c2ccc(cc2nc1SCc3cc(cc(c3F)F)F)S(=O)(=O)N4CCOCC4
C01[X(C21H22F3N3O3S2)]
156
C01
532
CCCn1c(SCc2cc(F)cc(c2F)F)nc2c1ccc(c2)S(=O)(=O)N1CCOCC1
CCCN1[C]([N][C]2[C]1[CH][CH][C]([CH]2)S(=O)(=O)N1CCOCC1)SC[C]1[CH][C]([CH][C]([C]1F)F)F
CCCN1[C]2[CH][CH][C]([CH][C]2[N][C]1SC[C]3[CH][C](F)[CH][C](F)[C]3F)[S](=O)(=O)N4CCOCC4
InChIKey=KEUSFTSTAALAQZ-UHFFFAOYSA-N
InChI=1S/C21H22F3N3O3S2/c1-2-5-27-19-4-3-16(32(28,29)26-6-8-30-9-7-26)12-18(19)25-21(27)31-13-14-10-15(22)11-17(23)20(14)24/h3-4,10-12H,2,5-9,13H2,1H3
InChI=1/C21H22F3N3O3S2/c1-2-5-27-19-4-3-16(32(28,29)26-6-8-30-9-7-26)12-18(19)25-21(27)31-13-14-10-15(22)11-17(23)20(14)24/h3-4,10-12H,2,5-9,13H2,1H3
3551.1781418920
-2289.2241901
1-A
25013.6834
126
406
532
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11.10134
3.7381 2.9720 -3.8246
6.1183
|XX|YY|ZZ|XY|XZ|YZ|
-215.0342 -184.7368 -217.3913 2.9554 24.9414 -12.9793
|XX|YY|ZZ|XY|XZ|YZ|
-9.3135 20.9840 -11.6705 2.9554 24.9414 -12.9793
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
161.9417 1.1370 -23.0908 5.1113 -36.7210 -110.4518 60.6560 20.0299 -2.6156 12.7370
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-24718.7653 -4900.6984 -1837.6579 -212.4693 498.6798 13.2979 -42.5923 51.8321 33.6164 -5087.2765 -5062.7732 -1220.2706 -319.4394 -18.0036 -82.3956
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
11.0222 12.2149 22.2652 28.1639 31.2964 44.6551 51.9756 55.5756 74.9789 85.5551 94.4483 101.1977 134.6884 148.3713 159.7097 196.7846 208.9500 219.0226 238.5260 254.9470 266.5886 278.3156 283.1158 290.2270 301.8428 308.4327 313.9589 317.3719 331.0016 360.6578 373.3098 390.5865 408.5071 432.8651 439.5847 457.3644 481.9964 491.3494 494.9029 525.3825 535.1537 558.1500 559.5040 599.5428 622.3637 632.1491 648.5907 665.0574 680.8745 686.8832 692.8709 712.7330 737.8571 765.2101 774.7503 801.5964 807.5603 838.5873 843.7226 846.3199 858.6018 917.2244 919.7072 948.5553 950.5356 967.6544 969.7451 978.1047 988.8802 995.2920 1015.0994 1019.6630 1044.4232 1061.3106 1085.4466 1092.2957 1112.5258 1119.2178 1126.9613 1170.6718 1195.3960 1206.1796 1207.1810 1221.9753 1227.1191 1248.5070 1255.7817 1266.3798 1270.2221 1273.4043 1285.7519 1306.2467 1317.7472 1343.5177 1347.2919 1358.0282 1360.9434 1382.5430 1387.7183 1410.5437 1419.0389 1428.4137 1448.3327 1454.6160 1461.8580 1468.6868 1471.9670 1505.0578 1507.2526 1516.7136 1534.8118 1543.2198 1558.3071 1558.7103 1569.9127 1583.1572 1593.8495 1617.6381 1628.1610 1636.7794 1640.9585 1641.3173 1644.2038 1648.5690 1649.0931 1653.5769 1660.4204 1664.9520 1674.1626 1692.5326 1775.9199 1806.0563 1823.5174 1837.0932 3186.0918 3191.6095 3202.2892 3203.5324 3212.0410 3217.8272 3243.4006 3248.9798 3266.2836 3278.6262 3291.9430 3295.4052 3297.9314 3303.5849 3329.8476 3331.0210 3367.6050 3386.3894 3402.9362 3416.7999 3422.7276 3423.1448
8.4995 10.4533 5.7135 6.1420 6.3926 3.6602 6.9219 3.2973 5.1243 8.2479 1.6907 6.1532 5.9106 10.9351 10.0313 4.3743 6.5729 4.6073 2.0284 2.8286 2.7360 2.3062 3.5364 4.7526 2.8723 4.8629 8.5378 5.3288 5.2472 5.9119 11.2294 5.4491 4.2815 6.0944 3.2321 4.1583 8.5572 3.6873 8.3229 3.6841 4.5911 6.1131 6.1501 6.2593 5.7013 7.4757 3.3109 4.6737 3.9961 6.0499 5.7823 4.3087 4.2198 7.1411 11.1179 2.7827 1.2835 5.2978 5.2955 5.7235 5.1901 2.2910 1.6171 3.2986 1.5461 1.4625 1.7634 1.7238 1.4587 1.6305 2.4005 4.3088 1.3987 3.3557 1.3203 4.1035 2.7364 2.1605 3.6657 2.4556 2.4767 1.6765 2.7703 2.3186 2.8913 2.7761 2.8016 1.7929 1.9592 2.3963 4.0748 1.6985 5.5689 4.3815 1.6248 1.7857 1.2853 2.4535 2.0837 1.7118 1.3246 1.3636 1.2177 1.2861 1.3616 9.0646 1.2287 2.3987 1.6147 7.6840 2.5742 1.3362 1.3764 1.3784 1.3133 1.4867 4.4536 5.1056 1.1495 1.0987 1.1818 1.7707 1.0566 1.0986 1.2112 1.1054 1.1319 1.1119 7.9193 5.1306 7.1729 6.6382 7.7275 8.3109 1.0728 1.0730 1.0376 1.0672 1.0682 1.0622 1.1014 1.0653 1.1037 1.1013 1.0986 1.1002 1.1069 1.0598 1.0936 1.0949 1.1100 1.0913 1.0939 1.0943 1.0935 1.0951
0.0006 0.0009 0.0017 0.0029 0.0037 0.0043 0.0110 0.0060 0.0170 0.0356 0.0089 0.0371 0.0632 0.1418 0.1508 0.0998 0.1691 0.1302 0.0680 0.1083 0.1146 0.1053 0.1670 0.2359 0.1542 0.2726 0.4958 0.3162 0.3387 0.4531 0.9220 0.4898 0.4210 0.6728 0.3680 0.5125 1.1713 0.5245 1.2011 0.5991 0.7747 1.1220 1.1343 1.3256 1.3011 1.7601 0.8206 1.2180 1.0915 1.6818 1.6355 1.2896 1.3536 2.4636 3.9319 1.0535 0.4932 2.1950 2.2210 2.4154 2.2543 1.1356 0.8059 1.7487 0.8230 0.8069 0.9771 0.9716 0.8404 0.9516 1.4574 2.6395 0.8989 2.2270 0.9165 2.8846 1.9955 1.5945 2.7430 1.9828 2.0852 1.4370 2.3786 2.0399 2.5651 2.5496 2.6031 1.6940 1.8625 2.2894 3.9689 1.7075 5.6975 4.6597 1.7377 1.9404 1.4026 2.7631 2.3643 2.0067 1.5715 1.6393 1.5050 1.6034 1.7144 11.5202 1.5685 3.2014 2.1612 10.4146 3.5728 1.8749 1.9693 1.9732 1.9071 2.1955 6.6658 7.8716 1.7953 1.7343 1.8750 2.8105 1.6829 1.7591 1.9406 1.7808 1.8386 1.8161 13.0777 8.6595 13.3288 12.7574 15.1394 16.5257 6.4162 6.4397 6.2689 6.4527 6.4931 6.4802 6.8266 6.6255 6.9377 6.9748 7.0146 7.0394 7.0931 6.8146 7.1443 7.1580 7.4169 7.3734 7.4635 7.5273 7.5480 7.5609
0.3429 0.5563 0.2474 0.4231 0.8026 0.1666 0.6568 0.1272 1.8773 0.6794 0.1528 0.3895 2.1101 1.3552 0.0213 4.1355 2.6775 2.1996 1.5057 1.0664 0.3572 0.1465 6.7200 8.3926 2.2761 1.1153 0.7430 1.3169 0.1004 1.8520 7.6296 4.9620 10.3108 0.0537 0.6418 2.1766 11.2190 1.5871 6.3605 0.6744 0.2812 39.6431 25.6045 4.6547 14.6736 92.2756 37.9832 3.6289 2.4781 37.4693 12.5638 46.9820 17.2066 6.4500 22.4805 159.6309 53.2898 17.6605 41.6212 53.5078 4.2340 12.0538 13.4133 13.2342 0.1885 64.4480 5.6575 1.7630 6.0095 2.9515 9.4186 0.7845 4.4415 210.9063 0.0613 15.4816 0.3092 2.1843 50.3351 23.5823 137.2313 2.7094 4.2464 7.6377 29.7027 50.2725 145.5359 34.8273 63.1443 104.2870 113.9039 17.3152 13.0721 30.4066 24.4466 8.3890 2.8720 31.2012 149.4006 51.6138 60.6712 45.4677 21.3486 22.0017 22.9003 188.7834 4.2775 28.3792 42.0458 108.7912 140.8711 16.4659 18.5462 4.7897 2.0579 12.2643 54.6047 22.5446 8.4944 7.1081 11.7196 48.5732 3.2660 0.8842 9.5243 22.0198 13.9529 0.9708 282.5927 283.4276 0.3797 74.2300 90.5146 58.0414 15.1930 35.1079 36.4415 18.0577 123.4919 13.8656 2.2843 25.6674 37.2973 39.5737 49.3020 40.2376 47.9631 3.3806 7.7980 7.6087 0.0448 8.7211 0.4104 1.5292 0.6958 0.9618
0.2825 1.8495 1.4893 1.0636 1.1901 0.0330 0.6888 0.6338 0.9963 1.2777 0.0958 2.9078 1.6976 0.7397 0.5320 0.5636 2.1272 0.4560 1.3527 1.3241 0.5267 0.3173 1.4982 2.7908 0.2082 1.3243 0.7336 0.5507 1.1132 1.0254 0.4592 0.3209 1.5775 1.8056 2.5601 0.7994 2.0750 0.7844 2.9623 1.6834 0.9735 0.2564 3.2246 11.6233 1.0458 1.5866 5.1780 3.3419 0.4539 1.6856 3.7014 1.8494 7.5434 10.7942 2.4726 16.8653 1.6953 1.2640 7.3235 1.2671 46.4804 0.8808 1.7544 6.8280 2.0676 0.6287 6.4157 3.4866 1.6152 3.2790 0.8223 6.1060 1.7073 1.2052 0.2296 17.3991 13.0707 20.7358 1.0280 6.8380 23.3853 0.1025 1.9772 11.3888 10.7568 4.5194 12.2323 11.2359 6.0838 2.3410 0.5303 11.5633 3.6243 16.2971 1.0305 3.1596 14.0393 32.4927 90.9157 39.2455 0.3283 34.2709 11.8699 1.6891 0.7269 4.4064 24.4711 3.3308 3.1202 51.0582 81.8776 0.2615 0.7729 1.6405 3.1346 2.4771 15.3928 1.4664 9.3563 38.7508 13.7609 34.9742 15.8726 3.5684 3.1528 2.8832 11.5544 6.9590 187.3143 3.6560 28.8235 31.3220 12.5295 69.6951 6.6174 140.3655 84.2573 17.2701 124.9588 76.4324 111.8441 66.8142 5.5632 101.3832 94.9059 123.6271 29.2561 45.6054 32.2535 51.2838 27.4100 62.8586 56.9822 88.3655 46.0766 138.1955
0.7437 0.7500 0.7487 0.7207 0.7429 0.7043 0.6449 0.7423 0.7475 0.5516 0.6731 0.7173 0.4100 0.3502 0.5754 0.2800 0.1971 0.2477 0.3012 0.5223 0.6567 0.7468 0.4755 0.5097 0.4234 0.3487 0.4809 0.2837 0.7004 0.5950 0.3634 0.7263 0.7373 0.7413 0.7369 0.5147 0.4829 0.5362 0.6682 0.7346 0.6915 0.7473 0.6448 0.1050 0.1651 0.6863 0.1818 0.5978 0.3550 0.2252 0.6852 0.7487 0.2424 0.3226 0.3852 0.0866 0.0720 0.6397 0.1533 0.7481 0.1810 0.5663 0.4579 0.1962 0.7396 0.7468 0.4753 0.1718 0.7218 0.2517 0.3256 0.3135 0.3767 0.0311 0.3693 0.2053 0.5115 0.6257 0.7098 0.2872 0.2318 0.7409 0.7017 0.0109 0.3768 0.4676 0.3995 0.2305 0.7492 0.3189 0.7499 0.5458 0.7485 0.4633 0.7272 0.1910 0.7169 0.2268 0.2833 0.2497 0.5317 0.5337 0.5180 0.6725 0.2336 0.6985 0.6299 0.5139 0.3806 0.2492 0.5082 0.7295 0.2535 0.1302 0.7472 0.5964 0.2987 0.5196 0.6020 0.6167 0.6661 0.5553 0.7480 0.7500 0.5037 0.4454 0.5854 0.5644 0.2900 0.4149 0.6021 0.6854 0.5140 0.4809 0.2499 0.2103 0.0025 0.7223 0.1335 0.1261 0.6950 0.0609 0.6314 0.5911 0.6881 0.2654 0.5470 0.0289 0.6143 0.2280 0.7028 0.4063 0.2517 0.1996 0.2837 0.3075
0.8530 0.8571 0.8563 0.8377 0.8525 0.8265 0.7842 0.8521 0.8555 0.7110 0.8046 0.8354 0.5816 0.5187 0.7305 0.4375 0.3293 0.3970 0.4630 0.6862 0.7928 0.8551 0.6445 0.6752 0.5949 0.5171 0.6495 0.4420 0.8238 0.7461 0.5331 0.8415 0.8488 0.8515 0.8486 0.6796 0.6512 0.6981 0.8011 0.8470 0.8176 0.8554 0.7841 0.1900 0.2834 0.8139 0.3077 0.7483 0.5240 0.3676 0.8132 0.8563 0.3902 0.4878 0.5562 0.1594 0.1343 0.7802 0.2658 0.8559 0.3066 0.7231 0.6282 0.3280 0.8503 0.8551 0.6443 0.2933 0.8384 0.4022 0.4913 0.4774 0.5472 0.0604 0.5394 0.3407 0.6768 0.7698 0.8303 0.4463 0.3764 0.8511 0.8247 0.0215 0.5474 0.6372 0.5709 0.3747 0.8566 0.4836 0.8571 0.7062 0.8562 0.6332 0.8420 0.3207 0.8351 0.3697 0.4416 0.3996 0.6942 0.6960 0.6824 0.8042 0.3788 0.8225 0.7729 0.6790 0.5513 0.3989 0.6739 0.8436 0.4045 0.2305 0.8553 0.7472 0.4600 0.6838 0.7515 0.7629 0.7996 0.7141 0.8558 0.8571 0.6699 0.6163 0.7385 0.7216 0.4496 0.5864 0.7517 0.8133 0.6790 0.6494 0.3998 0.3476 0.0049 0.8388 0.2355 0.2240 0.8200 0.1149 0.7740 0.7430 0.8152 0.4194 0.7072 0.0561 0.7611 0.3713 0.8254 0.5779 0.4021 0.3328 0.4421 0.4703
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 7 6 6 6 6 6 6 7 6 16 6 6 6 6 6 6 6 9 9 9 16 8 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 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 31.97207 15.99491 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
9320.9465 40301.2769 44605.8733
0.99989 0.01375 0.00507 -0.01358 0.99939 -0.03224 -0.00551 0.03216 0.99947
1
0.00929 0.00215 0.00194
0.19362 0.04478 0.04046
15.86 17.57 32.03 40.52 45.03 64.25 74.78 79.96 107.88 123.09 135.89 145.60 193.79 213.47 229.79 283.13 300.63 315.12 343.19 366.81 383.56 400.43 407.34 417.57 434.28 443.77 451.72 456.63 476.24 518.91 537.11 561.97 587.75 622.80 632.46 658.05 693.49 706.94 712.05 755.91 769.97 803.05 805.00 862.61 895.44 909.52 933.18 956.87 979.63 988.27 996.89 1025.46 1061.61 1100.97 1114.69 1153.32 1161.90 1206.54 1213.93 1217.67 1235.34 1319.68 1323.25 1364.76 1367.61 1392.24 1395.25 1407.27 1422.78 1432.00 1460.50 1467.07 1502.69 1526.99 1561.72 1571.57 1600.68 1610.30 1621.45 1684.34 1719.91 1735.42 1736.86 1758.15 1765.55 1796.32 1806.79 1822.04 1827.57 1832.14 1849.91 1879.40 1895.94 1933.02 1938.45 1953.90 1958.09 1989.17 1996.62 2029.46 2041.68 2055.17 2083.83 2092.87 2103.29 2113.11 2117.83 2165.44 2168.60 2182.21 2208.25 2220.35 2242.06 2242.64 2258.75 2277.81 2293.19 2327.42 2342.56 2354.96 2360.97 2361.49 2365.64 2371.92 2372.68 2379.13 2388.97 2395.49 2408.75 2435.18 2555.15 2598.51 2623.63 2643.17 4584.08 4592.01 4607.38 4609.17 4621.41 4629.74 4666.53 4674.56 4699.45 4717.21 4736.37 4741.35 4744.99 4753.12 4790.91 4792.60 4845.23 4872.26 4896.07 4916.01 4924.54 4925.14
0.448308
0.475989
0.476933
0.384602
-2288.775882
-2288.748201
-2288.747257
-2288.839588
3.096797D-04
MUNgauss
RevisionA2.0
retrievium
14-Jan-2021
DUDE CCCn1c2ccc(cc2nc1SCc3cc(cc(c3F)F)F)S(=O)(=O)N4CCOCC4 C23454001
RHF
6-31G(d)
(6D,10F)
C1
485.105470
|X|Y|Z|
62.714686 140.044727 38.314425
69.555708
24
|36.858105|
|12.467670|36.858105|
|7.529101|12.464404|36.858105|
|4.966133|7.648124|13.092244|53.358707|
|4.047461|5.695395|7.535297|18.828670|36.858105|
|3.856580|5.034276|5.992031|10.246031|13.707685|36.858105|
|3.043294|3.747959|4.201549|7.002575|8.068027|13.822167|36.858105|
|2.653748|3.259411|3.647262|6.359886|6.980051|7.880759|13.590898|36.858105|
|2.707056|3.406128|3.899784|7.355662|7.893165|6.708009|7.821850|13.768622|36.858105|
|3.245098|4.313969|5.255133|11.762091|13.662897|7.812228|6.895226|8.051635|13.745585|36.858105|
|3.235016|4.287317|5.248057|11.626297|8.383628|5.300885|4.617205|5.150058|7.607731|13.791372|53.358707|
|3.990381|5.579518|7.503852|18.953759|8.720189|5.351364|4.260237|4.300637|5.487352|9.019604|20.197935|36.858105|
|3.871995|4.929122|5.974082|9.511255|4.918147|3.663844|3.068998|3.083241|3.701578|4.969838|9.589060|10.831342|388.023441|
|2.843646|3.434978|3.906519|6.392739|3.930605|3.054715|2.733820|2.899986|3.592459|4.470994|8.992606|6.970608|74.104474|36.858105|
|2.567224|2.946999|3.224978|4.863468|3.041838|2.490873|2.255681|2.358873|2.798677|3.307362|5.911787|4.653450|49.778857|12.638135|36.858105|
|2.460178|2.781192|2.892642|4.248868|2.700899|2.262599|2.064736|2.149255|2.506202|2.897894|4.963391|3.875145|38.561418|7.540253|13.685943|36.858105|
|2.195676|2.400307|2.471772|3.527355|2.277506|1.958232|1.802040|1.863189|2.126756|2.404489|3.949262|3.070004|28.935456|5.037398|7.969979|13.856410|36.858105|
|2.050507|2.206115|2.315097|3.271981|2.122362|1.841319|1.698919|1.751512|1.983615|2.227075|3.609354|2.804975|26.036453|4.422154|6.802101|7.890586|13.803016|36.858105|
|2.114174|2.289864|2.478654|3.534377|2.278963|1.959987|1.802025|1.861035|2.121654|2.400698|3.936038|3.067786|28.891433|5.036846|7.931153|6.918541|8.086224|13.856706|36.858105|
|2.348990|2.615663|2.909333|4.270450|2.708001|2.268362|2.067095|2.148444|2.501372|2.896521|4.949687|3.882043|38.648421|7.601927|13.799034|7.996230|6.984422|7.938214|13.799603|36.858105|
|2.328757|2.592479|2.990418|4.428844|2.828255|2.367890|2.158723|2.245205|2.614704|3.027607|5.128259|3.992126|37.290408|6.762744|8.111404|5.288729|4.700215|5.300445|8.181408|14.368285|97.533100|
|1.938909|2.065739|2.249782|3.171207|2.071814|1.810321|1.674474|1.722839|1.938774|2.164392|3.458324|2.678413|24.014981|3.943533|5.301181|4.676927|5.336003|8.163548|14.432719|8.191797|16.145612|97.533100|
|2.063099|2.226822|2.232803|3.150358|2.062944|1.802386|1.669881|1.721278|1.940317|2.162395|3.462456|2.670743|23.959878|3.924184|5.297153|8.182702|14.371000|8.192220|5.346194|4.700124|7.969140|9.203337|97.533100|
|2.149989|2.522158|2.728020|4.435911|4.233369|4.723543|6.952522|10.755920|6.987984|4.759331|4.959303|3.117406|17.294228|2.378076|2.003406|1.852989|1.636746|1.549116|1.634878|1.851960|4.341994|3.442359|3.440298|388.023441|
|1.989878|2.332942|2.490538|4.067794|3.712280|3.826034|4.965624|7.360488|6.513451|4.433539|4.902222|2.996308|16.978749|2.424552|2.046381|1.906067|1.680603|1.581907|1.660625|1.878427|4.364780|3.480338|3.543758|94.748544|73.516695|
|2.115580|2.437106|2.565226|4.003117|3.731204|4.433732|6.493423|7.360122|4.988585|3.865518|4.153478|2.733750|15.537636|2.095141|1.797845|1.684497|1.502384|1.422370|1.489579|1.667669|3.882072|3.147434|3.187304|94.710590|13.588640|73.516695|
|1.967599|2.257235|2.498494|3.981738|3.649636|4.004002|5.367729|6.915639|5.377187|4.023199|4.406395|2.818283|16.054781|2.226638|1.899423|1.738101|1.551229|1.490281|1.588861|1.793744|4.279244|3.390048|3.243428|82.379356|13.746890|13.745137|53.358707|
|1.883563|2.159818|2.428053|3.912402|3.473905|3.555853|4.359398|5.652796|5.259295|4.012654|4.593003|2.875946|16.582895|2.369371|2.015909|1.821935|1.624910|1.571481|1.691390|1.920111|4.638069|3.621792|3.370122|50.760196|11.636876|8.874412|17.720035|36.858105|
|1.673820|1.876586|2.094110|3.263781|2.785453|2.870828|3.372613|3.967273|3.720049|3.083398|3.691913|2.393182|14.344259|2.054355|1.792463|1.628176|1.474069|1.440924|1.551186|1.736625|4.211534|3.365230|3.069032|34.409693|8.092566|7.012693|10.727393|12.528043|36.858105|
|1.689925|1.873017|2.100562|3.210245|2.728557|2.889466|3.365138|3.710987|3.364474|2.895119|3.449962|2.298726|13.838821|1.936389|1.700923|1.544931|1.405703|1.380647|1.488559|1.659697|4.041841|3.248554|2.928414|30.655872|6.713068|6.712542|9.325864|7.909808|13.616284|73.516695|
|1.739716|1.923886|2.132295|3.228235|2.789107|3.080756|3.716441|3.962892|3.372061|2.881389|3.355455|2.258954|13.484794|1.852857|1.627164|1.490981|1.355902|1.323704|1.416360|1.574683|3.794854|3.077110|2.841455|34.406383|7.017068|8.091983|10.729737|6.734866|8.195256|24.214167|36.858105|
|1.984543|2.237019|2.491623|3.848749|3.481642|4.007643|5.250016|5.639573|4.357642|3.576706|3.963287|2.640916|15.233874|2.061456|1.778912|1.627185|1.463570|1.416081|1.513096|1.698334|4.074657|3.253837|3.061925|50.740870|8.875867|11.648012|17.725192|7.783868|6.734467|14.064017|12.527437|36.858105|
|17.536993|8.762931|6.814765|6.250781|3.938645|3.961673|3.119890|2.655133|2.642038|3.108477|4.094238|3.614566|24.132511|2.571826|2.321318|2.203948|1.985218|1.878560|1.951753|2.160473|4.898116|4.082454|4.194693|15.386124|3.506495|3.828392|2.721986|1.898328|1.696995|3.081924|1.798237|2.052119|0.500000|
|17.571121|8.802351|5.484568|5.583190|3.508629|3.403961|2.784062|2.454073|2.488071|2.910155|3.944304|3.454332|24.122549|2.599073|2.383878|2.338389|2.107244|1.953444|1.982598|2.172185|4.780948|4.087488|4.532473|14.425699|3.366554|3.587624|2.508634|1.756634|1.567395|2.803380|1.629479|1.850550|0.301986|0.500000|
|17.541544|8.767788|6.817079|6.239252|3.641011|3.374678|2.719490|2.427671|2.515733|3.018101|4.231450|3.880297|28.845455|2.930192|2.706182|2.588341|2.330664|2.193996|2.267625|2.505367|5.573773|4.686786|4.899061|14.147567|3.304602|3.445735|2.514436|1.793710|1.606347|2.881582|1.651614|1.861065|0.301439|0.301978|0.500000|
|8.837412|17.550341|8.886174|9.493602|5.143041|4.332255|3.393326|3.087520|3.331299|4.233304|6.081886|5.885373|40.072418|3.835939|3.296174|3.174600|2.693171|2.420237|2.477944|2.839004|6.164105|4.937159|5.636326|17.211536|4.077200|4.113979|2.931655|2.085088|1.810246|3.172989|1.818005|2.097697|0.172643|0.212378|0.210392|0.500000|
|8.834116|17.543710|8.876851|9.535432|6.097014|5.836808|4.280413|3.598230|3.641171|4.493609|5.698493|5.070021|29.695489|3.125062|2.666089|2.537018|2.198182|2.017146|2.083303|2.366278|5.289090|4.248566|4.636399|19.580786|4.473818|4.812000|3.273742|2.253467|1.941999|3.444232|2.017612|2.381118|0.210075|0.212439|0.172658|0.303720|0.500000|
|6.876727|8.808894|17.586760|12.604655|7.092296|6.540706|4.460837|3.688922|3.757602|4.810563|6.109671|5.759454|32.865662|3.311211|2.793973|2.511544|2.191092|2.084695|2.240099|2.591200|6.102012|4.663898|4.482774|19.734027|4.393829|4.705240|3.518217|2.480456|2.155632|3.915140|2.257716|2.649236|0.203860|0.140502|0.169296|0.173640|0.211019|0.500000|
|6.862594|8.812945|17.602725|12.550555|5.715747|4.607919|3.487743|3.150263|3.426910|4.506487|6.604972|7.068609|49.113737|4.199591|3.547547|3.125445|2.679717|2.538443|2.753475|3.252885|7.569593|5.621312|5.366306|17.342086|4.022553|4.052523|3.107219|2.263574|1.981295|3.532372|1.989431|2.276540|0.168770|0.140352|0.203414|0.211832|0.173604|0.304786|0.500000|
|4.358843|5.476878|6.297435|8.964808|8.807059|17.738202|8.919852|5.613801|4.867511|5.572226|5.847137|4.599427|24.131487|2.771570|2.320624|2.128390|1.864711|1.761369|1.867310|2.134933|4.999045|3.904280|3.884524|27.784935|5.718075|6.904607|4.682071|3.056209|2.567284|4.692111|2.842841|3.590184|0.130592|0.105498|0.102864|0.123156|0.181601|0.212009|0.131692|0.500000|
|2.826363|3.336473|3.613215|5.603995|5.697959|8.954441|17.762555|8.899605|5.614824|4.968074|4.988854|3.464304|18.775696|2.371317|2.004196|1.854290|1.639853|1.553268|1.639328|1.855368|4.349512|3.453523|3.446630|47.521055|8.194704|13.358880|7.252911|4.082224|3.290504|6.002905|3.918478|5.649049|0.082001|0.072870|0.070009|0.083521|0.106349|0.108825|0.084839|0.215018|0.500000|
|2.397285|2.945824|3.302339|5.961223|5.617285|4.869741|5.584769|8.868904|17.764650|8.874610|9.177968|4.755834|24.519847|3.580573|2.808447|2.522580|2.143111|1.997651|2.133128|2.509626|5.882067|4.383062|4.403067|47.117963|13.219982|8.155832|7.189840|5.603753|3.897876|5.970139|3.271831|4.052217|0.064622|0.061930|0.062740|0.081794|0.086091|0.087642|0.083276|0.106140|0.123639|0.500000|
|2.754644|3.374646|3.689465|6.174377|3.966910|3.089609|2.811813|3.042461|3.841073|4.699807|9.544082|6.647031|56.520293|17.667528|8.880703|7.105152|4.728011|3.963329|4.224311|5.684961|11.293120|7.591852|8.743662|17.787063|4.623829|3.899147|3.119005|2.424916|2.079008|3.443934|1.863920|2.087387|0.069040|0.071108|0.077213|0.106212|0.087596|0.087059|0.105381|0.076915|0.067522|0.108635|0.500000|
|2.640643|3.159088|3.713833|6.212380|3.974902|3.096052|2.811603|3.033665|3.814750|4.676638|9.400390|6.642507|56.545397|17.683220|8.857457|5.644016|4.225899|3.967817|4.736072|7.151728|17.195618|8.811458|7.563468|17.737380|4.522098|3.844904|3.241730|2.592905|2.243695|3.738453|1.982696|2.195797|0.067794|0.066636|0.075155|0.094369|0.080976|0.090218|0.110067|0.077144|0.067485|0.107206|0.302402|0.500000|
|2.544306|2.918290|2.950814|4.369398|2.796581|2.340189|2.138350|2.230470|2.606729|3.012227|5.142602|3.977299|37.750486|6.930800|8.858763|17.746236|8.980333|5.642625|4.978266|5.661088|9.545081|8.328536|16.746689|13.639824|3.527844|3.108336|2.411060|1.839887|1.632031|2.744168|1.500275|1.648764|0.062741|0.067978|0.073302|0.094534|0.074696|0.070554|0.086569|0.060961|0.053258|0.072899|0.210545|0.142285|0.500000|
|1.881958|1.993746|2.073005|2.896670|1.899697|1.672149|1.551682|1.594326|1.784542|1.979270|3.140745|2.428598|21.758424|3.540781|4.918745|5.623604|8.879123|17.764947|8.926495|5.646103|9.609045|16.519567|16.576954|10.135029|2.586003|2.341364|1.873266|1.447676|1.338396|2.286514|1.234642|1.313009|0.048184|0.050168|0.055944|0.060278|0.050926|0.052434|0.062794|0.044702|0.039710|0.049937|0.090301|0.090415|0.124206|0.500000|
|2.025241|2.341243|2.701409|4.432977|3.956122|3.936839|4.668488|5.992257|5.940922|4.642151|5.279865|3.274605|18.541550|2.636608|2.210500|1.965722|1.741531|1.689757|1.838225|2.112146|5.175188|3.934225|3.576532|43.918619|9.810972|7.887696|12.282227|17.497797|8.876463|12.493523|5.817882|6.899841|0.056667|0.051890|0.053792|0.062553|0.067169|0.076797|0.070184|0.092585|0.116376|0.170143|0.074001|0.081522|0.054772|0.042997|0.500000|
|1.826230|2.103344|2.334681|3.789054|3.323557|3.305028|3.984549|5.347231|5.343267|3.981543|4.665147|2.857257|16.598121|2.431579|2.066231|1.876998|1.669345|1.605659|1.720032|1.952590|4.674198|3.663048|3.469699|49.092762|13.886379|8.390674|12.453409|17.654169|8.879164|10.166100|5.047319|5.662650|0.050612|0.047610|0.048392|0.057184|0.060928|0.065104|0.060668|0.078692|0.102265|0.173980|0.070215|0.073857|0.052913|0.041041|0.299470|0.500000|
|1.615950|1.805804|2.024566|3.150676|2.630320|2.641385|2.998605|3.493826|3.442419|2.936495|3.625103|2.350310|14.317927|2.083793|1.828689|1.651686|1.500207|1.476150|1.598365|1.788629|4.373015|3.486732|3.110938|28.349644|6.962838|5.839487|7.716697|8.869175|17.612147|16.908784|5.887418|5.019335|0.045322|0.041979|0.043435|0.048676|0.051356|0.057525|0.053875|0.065925|0.079994|0.101875|0.058213|0.063918|0.045667|0.038102|0.217468|0.209465|0.500000|
|1.567034|1.747689|1.918279|2.962464|2.511847|2.604430|3.069644|3.591121|3.337754|2.766983|3.338088|2.173585|13.173774|1.894018|1.667777|1.531721|1.393237|1.358393|1.450756|1.611225|3.866895|3.145940|2.921663|32.922230|8.081551|6.969785|9.573978|8.879458|17.518101|16.541604|7.316253|5.879449|0.044067|0.041088|0.041705|0.047031|0.050474|0.054620|0.050376|0.065293|0.084709|0.098212|0.053663|0.056855|0.042841|0.035188|0.174023|0.217905|0.300042|0.500000|
|1.721711|1.879867|2.084754|3.095830|2.635300|2.937770|3.439421|3.488250|2.996024|2.651151|3.120278|2.142505|12.932236|1.757157|1.555183|1.426235|1.303575|1.277945|1.368246|1.514349|3.656753|2.987226|2.733978|28.344097|5.841727|6.964883|7.717284|5.018733|5.886938|16.910357|17.610387|8.868027|0.049867|0.044737|0.045483|0.049010|0.054578|0.062039|0.054236|0.077220|0.102299|0.079570|0.048729|0.052046|0.039742|0.033204|0.130459|0.110384|0.132255|0.148233|0.500000|
|1.622838|1.787244|1.948710|2.935103|2.514881|2.764475|3.332829|3.588398|3.071794|2.613600|3.075394|2.068306|12.477121|1.727716|1.527991|1.412245|1.289030|1.255739|1.335173|1.475312|3.526719|2.899271|2.717039|32.927929|6.980476|8.075810|9.579069|5.881342|7.316582|16.541610|17.517611|8.880487|0.046430|0.042585|0.042766|0.047217|0.052251|0.056831|0.050558|0.071255|0.098644|0.084309|0.048621|0.051021|0.039615|0.032637|0.134073|0.132791|0.148229|0.219776|0.300049|0.500000|
|1.990340|2.228441|2.432803|3.692596|3.335245|3.983592|5.323693|5.328555|3.983899|3.327769|3.688387|2.495479|14.479702|1.938701|1.683679|1.555344|1.402787|1.352368|1.434644|1.600885|3.805114|3.080159|2.953742|49.062416|8.396010|13.902328|12.455583|5.662446|5.046637|10.167014|8.878669|17.653812|0.057505|0.051938|0.051402|0.057761|0.066783|0.072195|0.061222|0.101687|0.175073|0.101606|0.054766|0.056597|0.044009|0.034928|0.141251|0.127549|0.110385|0.132735|0.209486|0.217898|0.500000|
|2.162685|2.448193|2.796477|4.333899|3.967773|4.639399|5.939824|5.973478|4.657883|3.962607|4.329190|2.918125|16.593142|2.206876|1.890403|1.712579|1.534966|1.489060|1.601905|1.809924|4.380707|3.446537|3.191288|43.892436|7.881160|9.827312|12.282364|6.900633|5.819520|12.500290|8.877577|17.495249|0.062536|0.055318|0.056356|0.063022|0.071967|0.084019|0.070719|0.114987|0.171676|0.115446|0.061380|0.065627|0.047985|0.038229|0.201209|0.141256|0.130523|0.134072|0.217429|0.174039|0.299388|0.500000|
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