Version2.1
2021-01-18T15:36:29Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
31-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cn1c(nnc1SCc2[nH]c(=O)c3c(csc3n2)c4ccccc4)C[C@H]5CCS(=O)(=O)C5 C09365062
RHF
6-31G(d)
(6D,7F)
Cn1c(nnc1SCc2[nH]c(=O)c3c(csc3n2)c4ccccc4)C[C@H]5CCS(=O)(=O)C5
C01[X(C21H21N5O3S3)]
153
C1
534
Cn1c(SCc2nc3scc(c3c(=O)[nH]2)c2ccccc2)nnc1C[C@H]1CCS(=O)(=O)C1
Cn1c(SCc2nc3scc(c3c(=O)[nH]2)c2ccccc2)nnc1C[C@H]1CCS(=O)(=O)C1
Cn1c(C[C@H]2CC[S](=O)(=O)C2)nnc1SCC3=Nc4scc(c5ccccc5)c4C(=O)N3
InChIKey=IIWKQSHNQGFZJP-CYBMUJFWSA-N
InChI=1S/C21H21N5O3S3/c1-26-17(9-13-7-8-32(28,29)12-13)24-25-21(26)31-11-16-22-19(27)18-15(10-30-20(18)23-16)14-5-3-2-4-6-14/h2-6,10,13H,7-9,11-12H2,1H3,(H,22,23,27)/t13-/m1/s1
InChI=1/C21H21N5O3S3/c1-26-17(9-13-7-8-32(28,29)12-13)24-25-21(26)31-11-16-22-19(27)18-15(10-30-20(18)23-16)14-5-3-2-4-6-14/h2-6,10,13H,7-9,11-12H2,1H3,(H,22,23,27)/t13-/m1/s1/f/h22H
Cn1c(nnc1SCc2[nH]c(=O)c3c(csc3n2)c4ccccc4)C[C@H]5CCS(=O)(=O)C5
C01[X(C21H21N5O3S3)]
153
C01
534
Cn1c(SCc2nc3scc(c3c(=O)[nH]2)c2ccccc2)nnc1C[C@H]1CCS(=O)(=O)C1
CN1[C]([N][N]=C1C[C@H]1CCS(=O)(=O)C1)SCC1=N[C]2[C]([C](=CS2)[C]2[CH][CH][CH][CH][CH]2)C(=O)N1
CN1[C]([N]N=C1C[C@H]2CC[S](=O)(=O)C2)SCC3=N[C]4SC=C([C]5[CH][CH][CH][CH][CH]5)[C]4C(=O)N3
InChIKey=IIWKQSHNQGFZJP-CYBMUJFWSA-N
InChI=1S/C21H21N5O3S3/c1-26-17(9-13-7-8-32(28,29)12-13)24-25-21(26)31-11-16-22-19(27)18-15(10-30-20(18)23-16)14-5-3-2-4-6-14/h2-6,10,13H,7-9,11-12H2,1H3,(H,22,23,27)/t13-/m1/s1
InChI=1/C21H21N5O3S3/c1-26-17(9-13-7-8-32(28,29)12-13)24-25-21(26)31-11-16-22-19(27)18-15(10-30-20(18)23-16)14-5-3-2-4-6-14/h2-6,10,13H,7-9,11-12H2,1H3,(H,22,23,27)/t13-/m1/s1/f/h22H
3437.4006693602
-2496.7660889
1-A
34047.2993
127
407
534
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10.62487
-1.7021 7.4324 -2.2278
7.9436
|XX|YY|ZZ|XY|XZ|YZ|
-197.0287 -210.4948 -225.4457 -41.7737 28.9977 0.6207
|XX|YY|ZZ|XY|XZ|YZ|
13.9611 0.4949 -14.4560 -41.7737 28.9977 0.6207
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-3.6395 25.0313 -19.0445 39.2022 393.8387 -167.9641 30.0120 23.1168 7.1450 -55.1706
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-39503.7472 -2399.4925 -1670.9657 -2402.4452 1385.3865 -294.6011 6.7024 42.3776 15.8980 -7800.9159 -8031.8187 -676.1652 280.1415 163.3476 -51.0931
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487.08066
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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
7.9961 11.8276 23.2322 28.5527 32.2139 46.0597 50.6739 52.9561 55.9110 73.4295 82.1424 91.5007 116.7498 130.3563 144.5914 146.9972 166.2357 187.4040 195.9187 241.9449 248.2103 275.2650 302.3597 309.8333 329.5750 337.0031 343.4488 350.5388 352.2221 392.3088 407.2804 425.6041 443.4990 456.4256 466.6138 504.7001 511.0344 538.7996 540.9274 580.9166 591.1264 611.4163 625.1948 635.3724 675.7982 679.8050 696.4227 712.4335 725.3700 743.3297 773.0817 774.7103 776.3712 781.3026 782.2668 792.8233 842.1270 850.7025 869.8820 884.7778 889.8167 897.2964 902.4634 915.7187 931.8855 954.4291 1001.1364 1005.2866 1012.0751 1012.3256 1033.8389 1047.9816 1055.8554 1076.1210 1091.0643 1098.9840 1115.1531 1123.2380 1132.8768 1152.5360 1155.6139 1182.7228 1185.6102 1213.8318 1214.1622 1215.5139 1216.0851 1233.6931 1245.3612 1259.8667 1269.8897 1305.4768 1309.4514 1314.0857 1328.6932 1329.1736 1342.0497 1350.2088 1363.8469 1379.6147 1407.4792 1421.7133 1423.8862 1446.3757 1452.1206 1474.1536 1490.1566 1492.5586 1506.9876 1521.0982 1534.2189 1549.0403 1568.8907 1602.4885 1602.8598 1608.8584 1609.5644 1622.8643 1624.2198 1632.1682 1639.1027 1647.4476 1655.8134 1659.6493 1686.2021 1697.9185 1739.5299 1768.8831 1781.0719 1812.9845 1837.3393 1976.3658 3212.2927 3219.4130 3226.5526 3242.3137 3264.1632 3270.4484 3272.1151 3280.4360 3285.4962 3313.8901 3314.1579 3341.6720 3342.8335 3345.3095 3355.3738 3366.1427 3377.1008 3386.8645 3403.5362 3441.9784 3837.5569
8.1704 9.3613 6.4565 6.2896 5.4022 4.4318 3.4157 6.0346 4.9247 4.7741 3.6180 1.3601 6.8632 4.5153 4.6397 4.5718 5.2032 5.9837 4.0726 4.9762 5.2523 5.1005 6.9215 5.0779 3.2001 5.2686 7.2152 5.6596 4.2869 3.6943 6.6389 6.0073 2.3170 2.9323 10.3787 3.4769 6.8066 4.1173 7.6671 4.0711 4.8140 4.1372 8.2777 10.3776 3.4340 2.4471 7.1501 5.5708 3.8909 5.2711 2.8870 3.0364 4.1339 2.9977 4.0294 5.6215 3.5625 1.7274 2.1711 7.8186 5.6332 2.4971 2.3363 2.2389 2.3061 1.2490 1.9476 5.7433 1.7487 1.7216 5.0528 1.5445 2.5668 3.9539 6.0549 1.3673 1.5082 1.3305 2.2831 5.3791 2.5323 2.2111 1.7553 2.5495 2.4155 3.1365 4.7571 2.3652 1.8674 1.3343 1.4567 1.1969 2.4979 1.0991 1.5128 1.4599 2.5298 1.7857 2.2573 1.6220 1.4336 1.5749 5.4753 1.3758 4.3262 1.3775 1.6472 1.4363 1.6927 3.0655 4.5114 1.5567 3.3946 1.2459 1.1159 1.9485 1.0879 2.1722 1.9594 1.1492 1.0414 1.1005 1.1320 2.4675 3.4133 5.6902 7.0080 9.3382 5.3235 5.3614 7.7141 9.5388 1.0837 1.0678 1.0659 1.0353 1.0593 1.0682 1.0834 1.0751 1.0967 1.1071 1.1071 1.1093 1.1080 1.1039 1.0866 1.0903 1.0940 1.0977 1.0954 1.0950 1.0794
0.0003 0.0008 0.0021 0.0030 0.0033 0.0055 0.0052 0.0100 0.0091 0.0152 0.0144 0.0067 0.0551 0.0452 0.0572 0.0582 0.0847 0.1238 0.0921 0.1716 0.1907 0.2277 0.3728 0.2872 0.2048 0.3525 0.5014 0.4097 0.3133 0.3350 0.6488 0.6411 0.2685 0.3599 1.3314 0.5218 1.0473 0.7042 1.3218 0.8094 0.9911 0.9112 1.9063 2.4683 0.9240 0.6663 2.0432 1.6659 1.2062 1.7160 1.0166 1.0737 1.4681 1.0781 1.4528 2.0819 1.4886 0.7366 0.9679 3.6062 2.6279 1.1846 1.1211 1.1062 1.1799 0.6703 1.1501 3.4197 1.0554 1.0395 3.1819 0.9994 1.6860 2.6977 4.2468 0.9730 1.1050 0.9890 1.7264 4.2099 1.9925 1.8223 1.4538 2.2132 2.0980 2.7303 4.1449 2.1209 1.7063 1.2478 1.3840 1.2019 2.5235 1.1183 1.5735 1.5196 2.6845 1.9181 2.4738 1.8190 1.6733 1.8755 6.5405 1.6958 5.3748 1.7637 2.1551 1.8853 2.2649 4.1790 6.2565 2.2008 4.9229 1.8851 1.6892 2.9715 1.6605 3.3707 3.0455 1.8037 1.6484 1.7598 1.8285 4.0044 5.7181 9.6652 12.4941 17.2151 9.9497 10.3828 15.3432 21.9523 6.5884 6.5207 6.5377 6.4128 6.6497 6.7313 6.8342 6.8166 6.9749 7.1631 7.1643 7.2981 7.2951 7.2786 7.2076 7.2790 7.3510 7.4185 7.4763 7.6434 9.3657
0.7735 1.5583 3.4764 0.9920 2.3852 0.2888 2.9690 0.4991 1.0500 10.4389 0.5816 0.0797 0.4894 0.3530 1.0235 3.4301 0.5628 4.1710 3.6902 2.1288 2.2082 4.0754 0.3992 1.8746 0.1455 1.3374 2.0799 2.4447 3.3377 2.7220 3.7604 18.1080 9.4286 0.3297 0.6295 38.6260 7.6605 5.7150 3.4781 9.6734 12.4554 1.7220 37.2505 7.4568 12.6373 37.3901 5.8870 5.9491 9.0184 7.4801 17.2576 20.9110 5.4096 33.4409 1.5150 35.1482 5.4405 80.6724 34.0569 22.1376 2.4088 10.3890 28.4657 12.8809 22.5350 0.4130 31.9942 10.3459 4.1652 1.7787 51.6953 2.4929 0.7294 2.5573 0.9435 0.7042 3.0590 0.2026 0.3999 1.7155 2.1832 3.3037 1.0736 52.2286 57.1176 21.0109 21.2211 144.0090 35.4658 3.3464 12.3211 5.7602 69.7082 0.3267 0.6680 27.6331 14.4090 4.2348 0.8677 5.1881 12.3613 81.4055 58.0663 31.5494 174.1493 2.3761 18.0541 15.6213 19.6778 16.1638 5.5427 1.9210 71.5973 45.8019 5.8258 6.6459 5.5398 77.6889 13.0667 6.7878 9.9862 2.6695 13.3039 5.4462 135.5992 181.7376 68.7664 54.4685 5.3080 3.3170 564.6591 790.1790 5.3580 13.4570 39.8971 21.2076 7.5560 2.4096 6.8661 7.9438 21.7052 12.2120 0.0070 0.5680 1.8374 21.6114 1.1797 7.6488 38.6354 39.2604 9.3533 3.1728 91.1021
1.1472 1.9001 0.4691 0.5119 0.6053 5.2072 0.8255 1.5810 2.7596 0.8219 3.9385 1.1303 0.3696 0.1143 0.8210 0.8849 0.8421 0.4774 2.0003 0.8825 4.0017 0.3504 4.4086 0.9230 2.2223 0.6795 0.9199 1.1849 2.0278 1.0362 1.1191 3.0421 1.4125 0.8124 8.0097 4.9495 1.4127 3.0291 2.1867 1.4554 1.5289 1.4088 2.7984 7.9904 4.7546 3.6979 4.1113 2.3559 1.1325 4.3954 4.8605 9.8053 18.0611 1.5034 1.1490 2.5739 2.1837 0.2802 5.3665 3.2087 16.3238 6.9044 2.4988 4.4550 3.2189 3.9322 0.4976 9.7786 1.4972 2.7194 4.7576 1.1914 5.1074 4.6060 41.6901 0.8632 1.1018 0.7610 10.7848 0.6996 9.3249 5.6260 0.3599 5.3643 5.8090 10.0162 13.8234 8.9850 0.9982 2.2898 2.5926 3.6183 5.9806 8.8595 6.3066 10.6570 18.3915 30.1900 4.9286 1.0314 1.1834 4.8231 24.8071 6.3040 0.3975 3.0252 22.8368 5.9206 8.2963 4.8619 22.1740 10.2396 21.0407 60.8207 9.2010 38.6299 11.4873 80.6771 155.4181 24.1622 14.3165 10.3495 11.7616 60.7800 142.0572 48.0281 34.9981 57.0814 4.3242 141.3515 169.4072 19.0778 58.4534 54.5209 68.9300 120.2904 106.2395 38.6063 56.9236 118.3914 56.1173 48.0774 48.2013 112.5098 18.8684 60.9128 38.9329 121.8430 61.2087 217.4471 118.4175 92.9218 56.6378
0.7486 0.7488 0.7156 0.7110 0.7490 0.7244 0.7475 0.7486 0.7313 0.7191 0.7473 0.7423 0.1343 0.7272 0.3053 0.5329 0.7096 0.6331 0.5200 0.6931 0.6550 0.0798 0.4494 0.6353 0.5543 0.7061 0.3611 0.6910 0.2095 0.3789 0.7466 0.6415 0.6286 0.5917 0.1461 0.7473 0.2421 0.2692 0.6192 0.6034 0.7412 0.7427 0.6637 0.2404 0.7486 0.7356 0.1410 0.2713 0.2803 0.3524 0.1346 0.0667 0.0861 0.4046 0.7383 0.4456 0.1885 0.4957 0.4343 0.7107 0.3280 0.1959 0.6857 0.2665 0.1754 0.5573 0.3054 0.4355 0.6480 0.4643 0.1692 0.7460 0.4058 0.7478 0.1389 0.2029 0.7160 0.3814 0.1385 0.4565 0.6891 0.5743 0.7138 0.2006 0.7450 0.7385 0.2927 0.7092 0.4536 0.5497 0.6835 0.3250 0.3704 0.7432 0.1541 0.4905 0.4417 0.1131 0.6905 0.7500 0.3628 0.5634 0.7036 0.7146 0.6643 0.7394 0.3877 0.3829 0.5847 0.6074 0.3639 0.6578 0.2161 0.4086 0.5981 0.2250 0.7039 0.2639 0.3019 0.5631 0.7397 0.7356 0.6228 0.2907 0.2934 0.2842 0.5829 0.2624 0.7076 0.4339 0.2830 0.3758 0.4565 0.0715 0.1378 0.0061 0.0511 0.1746 0.3957 0.0566 0.7500 0.6501 0.7500 0.6479 0.6732 0.6239 0.7330 0.7499 0.6947 0.1216 0.1368 0.3413 0.2732
0.8562 0.8564 0.8342 0.8311 0.8565 0.8401 0.8555 0.8562 0.8448 0.8366 0.8554 0.8521 0.2369 0.8420 0.4678 0.6953 0.8301 0.7754 0.6842 0.8187 0.7916 0.1478 0.6201 0.7769 0.7133 0.8277 0.5306 0.8173 0.3464 0.5496 0.8549 0.7816 0.7719 0.7435 0.2549 0.8554 0.3899 0.4242 0.7648 0.7526 0.8514 0.8524 0.7979 0.3876 0.8562 0.8476 0.2471 0.4268 0.4379 0.5212 0.2372 0.1250 0.1585 0.5762 0.8495 0.6165 0.3172 0.6628 0.6056 0.8309 0.4939 0.3277 0.8136 0.4208 0.2984 0.7158 0.4678 0.6068 0.7864 0.6342 0.2894 0.8545 0.5773 0.8557 0.2439 0.3374 0.8345 0.5521 0.2434 0.6269 0.8160 0.7296 0.8330 0.3342 0.8538 0.8496 0.4529 0.8299 0.6241 0.7095 0.8120 0.4906 0.5405 0.8527 0.2671 0.6582 0.6128 0.2032 0.8169 0.8571 0.5325 0.7208 0.8260 0.8335 0.7983 0.8502 0.5588 0.5538 0.7379 0.7558 0.5336 0.7936 0.3553 0.5801 0.7485 0.3673 0.8263 0.4176 0.4638 0.7205 0.8504 0.8477 0.7675 0.4504 0.4537 0.4426 0.7365 0.4157 0.8288 0.6052 0.4411 0.5463 0.6269 0.1334 0.2423 0.0122 0.0973 0.2973 0.5671 0.1071 0.8571 0.7879 0.8571 0.7863 0.8047 0.7684 0.8459 0.8571 0.8198 0.2169 0.2407 0.5089 0.4291
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
6 7 6 7 7 6 16 6 6 7 1 6 8 6 6 6 16 6 7 6 6 6 6 6 6 6 6 1 6 6 16 8 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 31.97207 15.99491 15.99491 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
5011.1017 60277.2524 61434.4495
0.99998 -0.00593 0.00192 0.00594 0.99998 -0.00222 -0.00191 0.00224 1.00000
1
0.01728 0.00144 0.00141
0.36015 0.02994 0.02938
11.50 17.02 33.43 41.08 46.35 66.27 72.91 76.19 80.44 105.65 118.18 131.65 167.98 187.55 208.03 211.50 239.18 269.63 281.88 348.10 357.12 396.04 435.03 445.78 474.18 484.87 494.15 504.35 506.77 564.44 585.99 612.35 638.10 656.69 671.35 726.15 735.26 775.21 778.27 835.81 850.50 879.69 899.52 914.16 972.32 978.09 1002.00 1025.03 1043.65 1069.49 1112.29 1114.64 1117.03 1124.12 1125.51 1140.70 1211.63 1223.97 1251.57 1273.00 1280.25 1291.01 1298.44 1317.52 1340.78 1373.21 1440.41 1446.38 1456.15 1456.51 1487.46 1507.81 1519.14 1548.30 1569.80 1581.19 1604.46 1616.09 1629.96 1658.24 1662.67 1701.67 1705.83 1746.43 1746.91 1748.85 1749.68 1775.01 1791.80 1812.67 1827.09 1878.29 1884.01 1890.68 1911.69 1912.38 1930.91 1942.65 1962.27 1984.96 2025.05 2045.53 2048.65 2081.01 2089.28 2120.98 2144.00 2147.46 2168.22 2188.52 2207.40 2228.72 2257.28 2305.62 2306.16 2314.79 2315.80 2334.94 2336.89 2348.33 2358.30 2370.31 2382.35 2387.87 2426.07 2442.93 2502.80 2545.03 2562.57 2608.48 2643.52 2843.55 4621.77 4632.02 4642.29 4664.97 4696.40 4705.45 4707.84 4719.82 4727.10 4767.95 4768.33 4807.92 4809.59 4813.15 4827.63 4843.13 4858.89 4872.94 4896.93 4952.24 5521.39
0.438060
0.465369
0.466313
0.373263
-2496.328029
-2496.300720
-2496.299775
-2496.392825
3.120912D-04
MUNgauss
RevisionA2.0
retrievium
18-Jan-2021
DUDE Cn1c(nnc1SCc2[nH]c(=O)c3c(csc3n2)c4ccccc4)C[C@H]5CCS(=O)(=O)C5 C09365062
RHF
6-31G(d)
(6D,10F)
C1
487.080655
|X|Y|Z|
42.684920 34.380643 176.190945
63.707518
28
|36.858105|
|13.130966|53.358707|
|7.470378|18.952656|36.858105|
|5.311361|11.929276|14.866584|53.358707|
|5.325912|11.909056|8.893161|19.004403|53.358707|
|7.576208|19.079051|8.894024|12.164734|20.214953|36.858105|
|5.983894|9.479579|4.954659|6.725425|9.501553|10.831913|388.023441|
|3.947299|6.486517|4.037315|6.154919|9.096153|7.131417|74.694798|36.858105|
|3.217924|4.877934|3.090178|4.537420|5.956087|4.694818|49.502077|12.672366|36.858105|
|2.661004|4.043227|2.683416|4.017298|5.079967|3.744019|33.884899|7.879236|14.035545|53.358707|
|2.584836|4.018853|2.738878|4.212054|5.336192|3.739231|31.336970|7.474221|9.296670|25.960505|0.500000|
|2.276337|3.356509|2.248945|3.302780|3.990237|2.965138|26.124963|5.066578|7.778495|18.551707|0.261152|36.858105|
|2.027908|2.998590|2.053139|3.036228|3.590526|2.605046|21.774201|4.096886|5.432529|11.566668|0.220295|15.936153|73.516695|
|2.282471|3.263469|2.146033|3.069710|3.660232|2.822724|25.842090|4.499241|6.966606|10.981520|0.162291|13.088590|14.146800|36.858105|
|1.991919|2.795902|1.856553|2.625373|3.044687|2.345205|20.697787|3.362062|4.576071|6.868748|0.114744|7.234322|10.783580|13.112618|36.858105|
|2.021657|2.776367|1.823658|2.536484|2.916648|2.291832|20.464551|3.125119|4.108724|5.618478|0.095336|5.124338|7.673152|8.276576|14.151461|36.858105|
|2.429176|3.281787|2.095519|2.874289|3.348282|2.722257|25.802546|3.721327|4.963634|5.998748|0.099447|4.831386|6.822757|7.410876|7.351669|10.984782|388.023441|
|2.639876|3.716103|2.372310|3.337436|4.029545|3.234571|31.931116|5.217451|8.535485|9.962869|0.146939|7.897011|9.527623|13.934055|8.109270|7.757699|78.672283|36.858105|
|3.221591|4.617627|2.858423|4.029206|5.066747|4.210110|47.028143|7.853223|14.965570|11.209218|0.165310|6.648964|8.355295|7.788145|5.187807|5.018457|50.292835|13.934871|53.358707|
|1.738540|2.450577|1.657341|2.355585|2.688743|2.032082|17.200293|2.797318|3.573079|5.586202|0.099937|5.795954|10.436188|7.226752|12.793537|7.674365|33.681773|5.037890|5.140201|36.858105|
|1.600794|2.239785|1.522288|2.151534|2.424779|1.832359|15.266867|2.420641|2.977968|4.514571|0.082937|4.317680|7.874442|5.103135|7.652093|6.227606|28.806084|4.009999|4.293595|13.699079|36.858105|
|1.441491|2.020196|1.388166|1.965277|2.190340|1.639326|13.350285|2.107682|2.510455|3.815673|0.072315|3.515466|6.707757|3.845507|5.053557|4.347862|22.349054|3.140663|3.536153|7.893625|13.745490|36.858105|
|1.395046|1.967369|1.361114|1.937415|2.154622|1.598331|12.873961|2.053351|2.421493|3.741521|0.072142|3.440344|6.836075|3.585118|4.454422|3.742052|20.069904|2.909629|3.341979|6.830740|7.941782|13.769680|36.858105|
|1.482757|2.104842|1.454609|2.081844|2.332845|1.725132|13.965010|2.267931|2.709828|4.287145|0.082527|4.063756|8.330346|4.133051|5.038209|3.995504|21.509304|3.237507|3.696083|7.909895|6.895164|7.955053|13.736934|36.858105|
|1.657328|2.356083|1.610781|2.306674|2.621728|1.953907|16.198615|2.671422|3.325772|5.356934|0.099449|5.473973|10.953994|5.829268|7.576547|5.296105|27.040710|4.212492|4.585594|13.687981|7.955081|6.879400|7.929945|13.779373|36.858105|
|6.015972|10.167102|12.722716|10.554727|7.217014|5.285982|25.851407|3.065845|2.489979|3.016305|0.062710|1.911196|3.143964|1.840146|1.624910|1.606301|12.966145|2.012344|3.201313|1.468089|1.361918|1.252671|1.229744|1.305803|1.430666|36.858105|
|5.232471|7.807986|7.492369|7.562624|5.801822|4.333883|22.932016|2.738660|2.281936|2.782414|0.057571|1.785594|2.947322|1.731355|1.542428|1.531401|12.320808|1.889104|2.968972|1.398620|1.295365|1.195924|1.179556|1.255504|1.371756|12.417188|36.858105|
|6.226359|8.352109|6.829988|6.769839|5.621288|4.478131|24.444080|2.808086|2.357015|2.835208|0.057965|1.823209|2.985871|1.788652|1.594766|1.596145|12.986807|1.973919|3.114724|1.436271|1.327699|1.221031|1.201498|1.279696|1.403768|8.837102|17.524787|0.500000|
|3.938642|5.493262|4.880240|5.439702|4.383748|3.246104|18.361090|2.250240|1.931356|2.392287|0.049473|1.562322|2.602932|1.521589|1.374379|1.368762|10.891593|1.645350|2.535634|1.258013|1.174994|1.092032|1.077371|1.139921|1.235020|7.462953|12.368011|0.246458|36.858105|
|3.291216|4.519344|3.794016|4.479095|3.781830|2.798104|16.473070|2.050935|1.790210|2.235484|0.046168|1.473744|2.465978|1.439152|1.308775|1.304837|10.318035|1.548437|2.361224|1.203605|1.123152|1.047943|1.038492|1.100742|1.188656|4.926070|7.665617|0.191278|12.399525|36.858105|
|3.280139|4.726797|3.989131|4.931584|4.191139|3.032396|17.704746|2.244344|1.942143|2.433120|0.050557|1.593102|2.667787|1.542321|1.392847|1.378721|10.876489|1.653327|2.532107|1.280593|1.184614|1.104900|1.101691|1.177253|1.274859|4.702888|7.248254|0.183525|7.129431|10.572229|388.023441|
|3.345088|4.639060|3.656212|4.491845|4.017344|3.004646|18.180108|2.270772|1.988133|2.472974|0.050876|1.626199|2.708356|1.589974|1.439261|1.433506|11.376398|1.715642|2.624055|1.317515|1.214526|1.130093|1.127009|1.207421|1.311780|4.021043|5.813309|0.174456|5.322692|7.224906|94.145042|73.516695|
|2.683195|3.924139|3.320491|4.333805|3.721623|2.618910|15.558457|2.040441|1.784370|2.274388|0.047642|1.499773|2.538309|1.441474|1.308017|1.287094|10.018849|1.525625|2.310798|1.214165|1.125497|1.056476|1.058562|1.131017|1.216721|3.800276|5.055597|0.125002|5.276843|7.137255|94.336473|13.603042|73.516695|
|4.141926|6.530187|6.165389|7.456188|5.791292|4.060857|21.814786|2.738421|2.280751|2.824682|0.059126|1.810061|3.010557|1.733828|1.541334|1.516050|12.057994|1.868921|2.922047|1.406306|1.294855|1.200293|1.193554|1.278751|1.394670|7.436670|12.429773|0.247780|7.803683|7.124129|75.718408|12.894269|12.733771|36.858105|
|17.599086|12.366949|6.005027|6.269227|6.437465|6.493390|40.857474|3.814531|3.187261|3.581283|0.070434|2.268921|3.584666|2.297819|2.013397|2.056810|17.689886|2.673164|4.417714|1.752305|1.604976|1.444727|1.402473|1.496901|1.676838|5.076824|4.988777|0.175925|3.785525|3.329598|24.242421|6.493606|4.887269|4.139886|0.500000|
|17.618780|12.445155|5.786459|6.196177|6.576136|6.876226|45.761747|4.069682|3.396308|3.762169|0.073489|2.373786|3.725060|2.415043|2.106818|2.158602|18.773591|2.840099|4.750194|1.821361|1.683680|1.505656|1.444769|1.528285|1.714898|4.746369|4.083193|0.128528|3.284360|2.795831|19.667195|5.013195|4.142796|3.372489|0.299910|0.500000|
|17.658663|12.502593|7.082936|6.629677|6.127804|5.679161|32.049139|3.275554|2.738340|3.171474|0.063422|2.025702|3.252110|2.026778|1.794921|1.822364|15.299029|2.304407|3.721464|1.586335|1.473495|1.337089|1.295363|1.369465|1.516714|6.894728|5.961035|0.200063|4.604449|3.673257|24.539467|6.121932|4.955223|4.298330|0.300542|0.302071|0.500000|
|3.735682|6.281153|4.089598|6.472120|9.616403|6.776560|56.485186|17.610464|8.935130|9.615159|0.205237|4.714418|7.072561|4.063963|3.111640|2.866112|23.488181|4.476519|8.279915|2.656146|2.285907|2.019644|2.000863|2.234688|2.611681|3.107733|2.834752|0.080195|2.309620|2.129335|16.997621|4.306052|3.886275|2.934781|0.102646|0.102301|0.087259|0.500000|
|3.745949|6.301193|4.099582|6.481968|9.614132|6.789851|56.475464|17.609778|8.935891|9.607285|0.205210|4.713350|7.072767|4.061929|3.115173|2.872283|23.548229|4.479189|8.287464|2.658252|2.343649|2.058313|2.000173|2.184804|2.534636|3.111011|2.697924|0.075292|2.235851|2.011908|15.471760|3.837213|3.547389|2.678169|0.096913|0.107975|0.088505|0.303616|0.500000|
|1.852319|2.521092|1.667138|2.305507|2.612931|2.047822|17.856607|2.665245|3.342657|4.569365|0.080203|4.039575|6.388974|5.706192|8.817756|17.793588|55.341588|5.446315|5.388940|6.799505|6.348054|4.537755|3.798666|3.888154|4.849285|1.485959|1.424229|0.041243|1.283774|1.228890|9.190651|2.391624|2.150676|1.408070|0.052441|0.054818|0.046830|0.068725|0.068838|0.500000|
|1.629838|2.263686|1.530853|2.150177|2.419830|1.843599|15.451526|2.406648|2.949691|4.341844|0.079236|4.009302|7.011798|4.883876|7.103894|6.600274|30.700143|4.059715|4.343365|8.917763|17.718943|8.926132|5.651488|4.963746|5.653081|1.371176|1.299399|0.037061|1.180189|1.124108|8.377702|2.145939|1.983004|1.289053|0.045237|0.048009|0.041704|0.062243|0.065019|0.194942|0.500000|
|1.363791|1.903108|1.311204|1.849502|2.046427|1.532421|12.377413|1.927494|2.257079|3.374019|0.064464|3.007099|5.663761|3.267089|4.120882|3.755907|20.119248|2.772855|3.185120|5.629897|8.925268|17.713976|8.912135|5.649033|4.955108|1.190297|1.135806|0.032183|1.042372|0.999917|7.457782|1.903372|1.784528|1.136006|0.037871|0.039632|0.035318|0.051185|0.052660|0.111344|0.215763|0.500000|
|1.295547|1.825992|1.271148|1.808431|1.994986|1.473814|11.718370|1.854579|2.144195|3.283135|0.064233|2.923564|5.800999|2.990038|3.559455|3.102725|17.337446|2.500668|2.940755|4.929802|5.644946|8.913123|17.714462|8.903981|5.642445|1.155722|1.111054|0.031367|1.019869|0.985361|7.422763|1.895027|1.790125|1.125808|0.036155|0.037153|0.033589|0.050478|0.050451|0.088207|0.124207|0.214560|0.500000|
|1.427168|2.033170|1.414843|2.031231|2.264476|1.662309|13.277452|2.157810|2.528209|3.999280|0.078601|3.664420|7.602740|3.589236|4.104017|3.365697|19.048666|2.892188|3.397996|5.637835|4.963516|5.652140|8.908096|17.717440|8.944621|1.274336|1.230696|0.034766|1.119427|1.085406|8.289794|2.125007|2.000727|1.261585|0.040099|0.040583|0.036715|0.059936|0.057761|0.090816|0.107707|0.124118|0.214631|0.500000|
|1.739846|2.490212|1.701993|2.449787|2.803029|2.081628|17.296624|2.903071|3.641135|5.988817|0.111197|6.163127|12.377784|6.190566|6.987135|4.966215|27.196758|4.452245|4.925009|8.906704|5.653059|4.958199|5.650295|8.948946|17.753341|1.503271|1.446328|0.041141|1.294905|1.249177|9.606924|2.478273|2.292025|1.481007|0.049140|0.049684|0.044024|0.080237|0.075344|0.122053|0.124207|0.107609|0.124276|0.216442|0.500000|
|6.316705|9.253853|8.928539|8.033944|6.149559|4.754844|24.660858|2.867087|2.374725|2.867116|0.059053|1.833997|3.011764|1.785044|1.587115|1.580983|12.812159|1.961612|3.103344|1.432393|1.337450|1.229181|1.200292|1.267077|1.386362|17.535972|8.851376|0.211245|6.920168|4.532977|28.477812|6.304054|5.843228|5.464999|0.141127|0.142538|0.227597|0.078749|0.081148|0.040779|0.037614|0.032565|0.031348|0.034228|0.040218|0.500000|
|4.576139|7.723722|9.158818|10.189857|6.716385|4.550478|22.929500|2.866611|2.344257|2.895716|0.060930|1.841450|3.061160|1.754957|1.554022|1.525464|12.149670|1.893198|2.979925|1.416420|1.317878|1.218501|1.199581|1.272115|1.386193|17.591121|8.839252|0.173597|6.811995|4.617952|31.531932|6.468835|6.792747|6.832178|0.110332|0.107288|0.139876|0.081295|0.082478|0.039266|0.036779|0.032210|0.031411|0.034581|0.040406|0.303422|0.500000|
|4.011218|5.286510|4.463057|4.896964|4.062915|3.087121|17.862529|2.158113|1.870492|2.307909|0.047410|1.515324|2.519004|1.487748|1.350043|1.352806|10.803038|1.615678|2.482389|1.233945|1.157585|1.074853|1.056073|1.112718|1.205034|6.601155|8.706803|0.215095|17.579663|8.769167|37.692181|7.915147|7.363043|5.590316|0.105820|0.094253|0.136582|0.060618|0.059636|0.035346|0.032431|0.028575|0.027771|0.030265|0.034947|0.198983|0.162205|0.500000|
|3.468957|5.015817|4.607336|5.391328|4.263206|3.057718|17.249683|2.167013|1.860258|2.328257|0.048506|1.521965|2.551769|1.471715|1.330275|1.317947|10.401632|1.578510|2.422134|1.224298|1.146300|1.068857|1.055921|1.115619|1.204330|7.019345|8.834750|0.174220|17.546529|8.816634|43.032668|7.845965|9.121078|6.896977|0.090837|0.082566|0.110095|0.061847|0.060642|0.034349|0.031954|0.028377|0.027822|0.030476|0.035024|0.178519|0.210079|0.302556|0.500000|
|3.299083|4.340275|3.475022|4.065964|3.538409|2.682075|16.194954|1.990144|1.755254|2.182041|0.044727|1.446173|2.412497|1.424677|1.301294|1.305718|10.366202|1.540144|2.341290|1.194212|1.115460|1.039711|1.028578|1.088968|1.176698|4.321034|6.375995|0.184174|8.701319|17.622218|57.668539|13.094029|10.045922|5.665143|0.095007|0.078148|0.102829|0.057058|0.053772|0.034254|0.031062|0.027576|0.027100|0.029790|0.034313|0.115127|0.108793|0.219913|0.174308|0.500000|
|2.798123|3.869465|3.242561|3.955798|3.367933|2.457839|14.685836|1.863390|1.641724|2.071059|0.042906|1.374410|2.314640|1.339410|1.224470|1.218538|9.553851|1.430434|2.162450|1.133299|1.061286|0.994643|0.987353|1.044232|1.121952|4.107204|5.619517|0.138783|8.644387|17.634529|57.030581|10.098316|12.675955|5.570437|0.077963|0.067664|0.085828|0.053720|0.051104|0.031981|0.029481|0.026418|0.026103|0.028663|0.032686|0.106831|0.112721|0.192087|0.221888|0.299665|0.500000|
|3.603309|5.821341|5.718497|7.569133|5.672048|3.774815|20.286908|2.639057|2.198723|2.763870|0.058511|1.772335|2.973360|1.680610|1.494974|1.460522|11.497988|1.792109|2.785303|1.373450|1.267576|1.179678|1.175682|1.258340|1.366443|6.900155|8.744580|0.173673|6.820314|6.047094|57.380171|9.734631|12.625488|17.596316|0.097280|0.084225|0.103563|0.078786|0.073094|0.037695|0.034997|0.031047|0.030877|0.034561|0.040256|0.141253|0.207388|0.138430|0.197511|0.130903|0.145866|0.500000|
|4.348602|7.105555|6.378862|8.116706|6.601151|4.606948|24.500986|3.082827|2.531447|3.114692|0.065246|1.975518|3.268455|1.884887|1.661123|1.628444|13.007368|2.038172|3.217861|1.507881|1.377290|1.272227|1.267933|1.367174|1.499793|6.367969|8.607079|0.215806|5.582101|5.332801|57.324832|12.521026|10.614770|17.636865|0.124520|0.097874|0.118445|0.093987|0.082179|0.041791|0.037962|0.033295|0.033115|0.037491|0.044539|0.133466|0.158055|0.123456|0.138848|0.129480|0.120965|0.299812|0.500000|
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