Version2.4
2021-06-10T23:10:44Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
14-Apr-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C[C@]1(C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)c3cn4ccsc4n3)c5ccc6ccccc6c5 C21336851
RHF
6-31G(d)
(6D,7F)
C[C@]1(C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)c3cn4ccsc4n3)c5ccc6ccccc6c5
C01[X(C27H21N5O3S1)]
165
C1
586
O=C(CN1C(=O)N[C@](C1=O)(C)c1ccc2c(c1)cccc2)Nc1ccc(cc1)c1nc2n(c1)ccs2
O=C(CN1C(=O)N[C@](C1=O)(C)c1ccc2c(c1)cccc2)Nc1ccc(cc1)c1nc2n(c1)ccs2
C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)c3cn4ccsc4n3)C1=O)c5ccc6ccccc6c5
InChIKey=LIYCJPUKPCHSMN-HHHXNRCGSA-N
InChI=1S/C27H21N5O3S/c1-27(20-9-6-17-4-2-3-5-19(17)14-20)24(34)32(25(35)30-27)16-23(33)28-21-10-7-18(8-11-21)22-15-31-12-13-36-26(31)29-22/h2-15H,16H2,1H3,(H,28,33)(H,30,35)/t27-/m1/s1
InChI=1/C27H21N5O3S/c1-27(20-9-6-17-4-2-3-5-19(17)14-20)24(34)32(25(35)30-27)16-23(33)28-21-10-7-18(8-11-21)22-15-31-12-13-36-26(31)29-22/h2-15H,16H2,1H3,(H,28,33)(H,30,35)/t27-/m1/s1/f/h28,30H
C[C@]1(C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)c3cn4ccsc4n3)c5ccc6ccccc6c5
C01[X(C27H21N5O3S1)]
165
C01
586
O=C(CN1C(=O)N[C@](C1=O)(C)c1ccc2c(c1)cccc2)Nc1ccc(cc1)c1nc2n(c1)ccs2
O=C(CN1C(=O)N[C@](C1=O)(C)[C]1[CH]=[CH][C]2[C]([CH]=1)[CH]=[CH][CH]=[CH]2)N[C]1[CH][CH][C]([CH][CH]1)[C]1=C[N]2[C]([N]1)SC=C2
C[C@@]1(NC(=O)N(CC(=O)N[C]2[CH][CH][C]([CH][CH]2)C3=CN4C=CS[C]4[N]3)C1=O)C5=C[C]6C=CC=C[C]6C=C5
InChIKey=LIYCJPUKPCHSMN-HHHXNRCGSA-N
InChI=1S/C27H21N5O3S/c1-27(20-9-6-17-4-2-3-5-19(17)14-20)24(34)32(25(35)30-27)16-23(33)28-21-10-7-18(8-11-21)22-15-31-12-13-36-26(31)29-22/h2-15H,16H2,1H3,(H,28,33)(H,30,35)/t27-/m1/s1
InChI=1/C27H21N5O3S/c1-27(20-9-6-17-4-2-3-5-19(17)14-20)24(34)32(25(35)30-27)16-23(33)28-21-10-7-18(8-11-21)22-15-31-12-13-36-26(31)29-22/h2-15H,16H2,1H3,(H,28,33)(H,30,35)/t27-/m1/s1/f/h28,30H
3473.4109230482
-1929.0983037
1-A
41171.8077
129
457
586
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10.11820
-0.8185 -2.6087 1.1349
2.9603
|XX|YY|ZZ|XY|XZ|YZ|
-149.4211 -208.4797 -211.3760 23.8633 -13.7357 -15.4195
|XX|YY|ZZ|XY|XZ|YZ|
40.3379 -18.7208 -21.6171 23.8633 -13.7357 -15.4195
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-307.1895 -20.9092 20.4108 -33.0871 -261.1665 173.0094 7.0711 -6.9981 -20.8606 82.0103
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-43446.7747 -1751.8313 -1191.7214 2840.4334 -1903.9855 52.9371 -70.4149 67.1783 -30.4685 -8984.1457 -9301.5688 -473.1893 -68.0786 -158.9014 -2.7256
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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|A|A|A|A|A|A|A|A|A|
6.2740 9.0497 13.0211 18.0306 27.8506 35.4617 45.9509 64.9611 69.5335 79.3338 95.2700 107.9411 145.8712 165.7200 169.7057 182.6815 196.6371 210.2251 235.5854 250.8089 268.2461 284.6959 297.3423 306.5170 316.3547 326.9949 346.9427 360.6036 399.3761 417.5983 424.4089 441.3934 454.1730 457.3314 460.4996 496.3974 524.6827 536.6132 538.4003 549.8681 560.9618 561.3704 583.7388 588.1927 611.3889 622.2994 633.3954 651.8355 683.8012 688.9165 697.9985 717.3230 726.5936 740.7587 760.0141 761.5971 789.9933 791.9665 804.8537 816.7967 828.7814 834.1859 842.0430 843.2266 846.2140 855.1785 869.0259 886.3612 915.1954 929.2847 935.0761 937.4340 957.5126 969.1617 975.4167 1011.3154 1023.4138 1029.9666 1040.0561 1040.6478 1047.2739 1077.4010 1090.1199 1093.8005 1098.9403 1102.6640 1111.8955 1113.4386 1122.8540 1133.1320 1167.6442 1176.3870 1187.2583 1202.5580 1213.9470 1229.0735 1252.9062 1254.4143 1274.2652 1275.8340 1291.9035 1299.9121 1304.9287 1309.2635 1315.2166 1329.8318 1355.2697 1388.3651 1393.3116 1396.5781 1408.0911 1412.1681 1427.1852 1471.0037 1480.3931 1497.8268 1506.6043 1512.7132 1517.7305 1542.6389 1546.4713 1559.6558 1566.5609 1572.3351 1597.2209 1599.9619 1615.1366 1632.6867 1642.5665 1642.7142 1671.7500 1678.1424 1686.4348 1726.2510 1739.3302 1781.7874 1790.3598 1801.0997 1811.5224 1824.9339 1849.2418 1971.9929 1991.8078 2050.9291 3221.4314 3268.9810 3292.3848 3323.5790 3323.7365 3344.7873 3352.9617 3358.3482 3363.7180 3369.4560 3373.7085 3387.0592 3395.8944 3410.1784 3412.6931 3445.1545 3462.4264 3468.4652 3479.1653 3862.6157 3881.3333
8.4324 6.1268 6.5375 3.8141 6.5833 6.1722 5.7112 7.9096 7.5150 6.6606 6.5766 8.1098 6.9014 6.3407 7.4659 5.4402 6.5587 4.0371 3.1329 6.3498 1.2120 5.6452 2.2299 6.4511 6.9109 4.1177 6.8176 4.5867 5.6824 5.9810 5.3716 3.3756 3.0074 4.4952 4.0320 1.4833 4.0288 3.3099 2.6139 1.6119 6.5168 6.2637 3.8183 2.6448 7.3805 5.9582 2.1772 5.9594 6.9078 7.9149 7.2068 3.5053 2.2512 6.6795 3.6542 2.0640 2.5933 4.2148 4.6844 2.2227 5.8769 6.1478 2.8455 4.9323 1.4842 3.0484 5.3549 6.8267 5.5763 1.4184 4.3549 1.3182 1.6449 2.7142 1.8271 1.2973 3.0444 1.7550 3.1687 5.2158 6.4158 2.0463 1.3424 1.3687 2.5721 1.3417 1.3405 3.0554 1.3335 2.6696 2.3216 2.3289 2.0949 2.2260 1.9874 2.6775 1.7241 1.9036 2.6721 2.5099 1.2429 2.4370 1.8578 2.3392 1.1664 1.7448 1.9785 1.8492 2.2003 2.0437 2.2655 2.7041 3.9747 1.5827 3.5491 2.8454 2.1398 2.0960 3.5651 1.6758 4.6791 1.6250 1.4322 2.6883 2.2427 1.6066 2.4443 1.2814 1.0728 1.6016 2.5946 2.8814 7.4180 2.7179 4.5423 6.5353 4.8113 4.1821 4.9962 5.4671 5.9376 9.1966 11.5136 11.1994 1.0378 1.0605 1.1043 1.1025 1.1064 1.0912 1.0868 1.0901 1.0907 1.0911 1.0959 1.0984 1.0912 1.0942 1.0936 1.0899 1.0935 1.1055 1.0992 1.0779 1.0796
0.0002 0.0003 0.0007 0.0007 0.0030 0.0046 0.0071 0.0197 0.0214 0.0247 0.0352 0.0557 0.0865 0.1026 0.1267 0.1070 0.1494 0.1051 0.1024 0.2353 0.0514 0.2696 0.1162 0.3571 0.4075 0.2594 0.4835 0.3514 0.5340 0.6145 0.5701 0.3875 0.3655 0.5539 0.5038 0.2153 0.6535 0.5615 0.4464 0.2872 1.2082 1.1630 0.7666 0.5391 1.6254 1.3595 0.5146 1.4919 1.9031 2.2132 2.0687 1.0627 0.7003 2.1595 1.2436 0.7054 0.9536 1.5576 1.7879 0.8737 2.3784 2.5206 1.1887 2.0663 0.6262 1.3135 2.3827 3.1599 2.7519 0.7217 2.2435 0.6825 0.8885 1.5021 1.0242 0.7817 1.8787 1.0969 2.0195 3.3280 4.1460 1.3995 0.9399 0.9648 1.8302 0.9612 0.9764 2.2318 0.9906 2.0195 1.8649 1.8989 1.7398 1.8967 1.7256 2.3830 1.5946 1.7648 2.5564 2.4071 1.2222 2.4262 1.8639 2.3625 1.1888 1.8180 2.1411 2.1001 2.5167 2.3485 2.6465 3.1772 4.7700 2.0178 4.5827 3.7611 2.8616 2.8258 4.8385 2.3496 6.5932 2.3290 2.0708 3.9157 3.3710 2.4231 3.7569 2.0126 1.7053 2.5465 4.2723 4.7809 12.4302 4.7719 8.0963 12.2244 9.0865 7.9932 9.6601 10.7277 11.9632 21.0711 26.9125 27.7554 6.3453 6.6769 7.0527 7.1752 7.2014 7.1930 7.1990 7.2437 7.2711 7.2988 7.3494 7.4244 7.4143 7.4973 7.5043 7.6216 7.7241 7.8355 7.8390 9.4755 9.5822
0.0623 3.8891 0.4749 0.4754 0.0314 0.0875 0.9399 3.8507 4.7466 3.7764 2.8003 1.2091 2.6384 0.2718 3.3668 0.3224 2.3623 3.2544 1.2052 0.3354 0.7544 1.1760 6.0886 1.6463 0.7669 4.4700 20.2902 16.6982 1.7530 12.2127 6.9543 5.1226 0.6835 3.1066 18.1530 157.2293 97.2551 0.1847 16.9334 84.9397 2.8490 4.6669 2.4448 0.6370 5.9377 4.1869 2.2000 3.0986 15.9989 5.9423 2.9497 3.0211 27.8884 6.4528 3.6869 37.9620 2.6018 16.3298 20.7199 19.2226 7.8888 6.5561 34.8689 0.2049 39.2696 5.5524 18.3146 61.7380 12.7558 32.1917 37.9886 8.3245 52.6283 0.8149 14.0752 0.0458 18.7056 7.8486 7.2958 12.8773 10.6066 5.0016 2.9970 0.3041 0.2980 1.3321 0.8222 3.5113 0.1334 35.5167 15.9695 3.7004 16.1644 3.0661 9.2379 4.8132 22.4580 2.3438 9.6180 10.6674 10.7136 13.3434 84.5399 111.3501 42.4025 13.9595 14.9371 1.2819 320.3470 9.5524 9.9126 59.5817 319.6408 4.0071 2.1137 2.5802 55.5466 11.1650 14.7304 20.1154 194.7410 13.0298 72.9361 225.1665 6.7951 150.3053 513.1534 1.5722 21.5916 5.8512 3.4414 16.6803 74.1079 729.9294 13.8452 0.0446 268.9151 37.8757 11.2071 47.8152 1.6328 300.1630 1024.6204 141.5969 17.8687 19.2917 26.0499 10.7787 3.8946 32.9828 1.2534 2.2092 7.6976 16.0812 42.1981 43.3580 5.3683 6.0117 2.2556 10.1647 0.8592 1.2345 3.1023 34.0420 66.4834
3.0950 5.6953 2.9575 7.1265 4.2353 4.6072 3.2840 1.3202 1.7384 0.2223 4.2338 1.3495 1.8601 1.5489 0.3619 1.7717 1.2891 0.0866 0.6812 0.1862 0.4049 1.2344 0.0824 0.6927 1.3151 0.8579 0.6825 0.6535 0.5871 2.8533 3.3644 5.2624 0.1194 0.3494 0.7840 1.8239 4.0731 5.1163 0.5687 3.4678 5.8778 7.5193 2.2067 0.6136 6.0240 1.3895 0.3001 3.0687 1.8223 6.5220 7.7819 0.4566 3.0826 6.0071 1.8996 2.4209 1.4780 7.0572 3.7538 0.4625 4.9705 7.2964 18.0183 34.1725 3.3209 5.6283 1.7545 1.2255 11.0179 0.1423 2.8620 3.2445 0.5093 3.8426 3.0391 3.9458 0.1965 1.3114 3.6837 35.4952 34.6672 3.4043 0.5031 8.2596 13.7352 0.0550 0.5566 2.4308 0.5959 2.4186 9.6512 5.2591 17.9038 4.9631 5.0282 5.4967 2.5618 12.8507 8.1831 1.6907 9.6048 17.6478 31.1846 38.7180 97.7486 7.9129 2.2930 1.7501 22.5714 2.6035 60.5391 0.7496 167.1658 34.0306 173.6133 116.2569 39.6105 104.0400 260.9428 13.3382 92.2687 1.7883 4.3748 16.7988 24.6523 20.9386 3.2509 31.5995 13.8524 46.6689 63.4941 0.4193 8.6854 10.1360 285.3654 38.2561 100.4361 66.8185 5.8812 1433.1857 35.4659 63.6420 0.4902 14.5079 137.1771 66.2485 101.5385 62.6131 24.9483 86.4374 15.4817 43.7339 125.9192 44.1594 99.0132 304.0858 73.7069 92.3822 73.4443 70.0365 68.8700 188.6574 54.4997 79.4374 56.5660
0.7498 0.7465 0.7463 0.7417 0.7499 0.7335 0.7396 0.7498 0.7498 0.7465 0.7400 0.7418 0.7466 0.7446 0.7472 0.3533 0.2376 0.7466 0.3512 0.5748 0.1811 0.7496 0.6985 0.1913 0.3296 0.3421 0.3019 0.2331 0.4127 0.6172 0.5999 0.7500 0.6920 0.4063 0.6870 0.5938 0.1963 0.7478 0.5434 0.7453 0.6629 0.2582 0.5976 0.4546 0.5584 0.7301 0.5852 0.6011 0.1647 0.0661 0.7016 0.4560 0.7497 0.0661 0.7498 0.7086 0.4242 0.3796 0.5425 0.7148 0.4169 0.5583 0.7497 0.1019 0.6865 0.4403 0.5530 0.3759 0.1252 0.6213 0.5840 0.6526 0.6412 0.3815 0.4649 0.7500 0.3333 0.5427 0.1642 0.2001 0.1589 0.7144 0.7480 0.7500 0.2201 0.5094 0.6747 0.4613 0.7497 0.6544 0.3277 0.5537 0.4594 0.6863 0.4801 0.5418 0.7248 0.2698 0.6242 0.7039 0.7249 0.2542 0.2957 0.2695 0.2215 0.2070 0.6615 0.2334 0.2682 0.1656 0.3548 0.3146 0.3973 0.4034 0.2067 0.1876 0.3043 0.2290 0.2997 0.4966 0.3290 0.7383 0.7059 0.5115 0.3587 0.4819 0.7395 0.4283 0.7320 0.4165 0.2170 0.5504 0.7473 0.5234 0.2876 0.6061 0.2248 0.2200 0.7118 0.3650 0.4367 0.3026 0.5032 0.2380 0.0550 0.0269 0.6470 0.7500 0.7250 0.3340 0.7443 0.7442 0.5279 0.3661 0.7219 0.1364 0.1960 0.1932 0.2367 0.7300 0.2433 0.2222 0.3459 0.1481 0.2476
0.8570 0.8548 0.8547 0.8517 0.8571 0.8463 0.8503 0.8570 0.8570 0.8548 0.8506 0.8518 0.8549 0.8536 0.8553 0.5222 0.3840 0.8549 0.5198 0.7300 0.3067 0.8569 0.8225 0.3212 0.4958 0.5098 0.4638 0.3781 0.5843 0.7633 0.7499 0.8571 0.8180 0.5778 0.8145 0.7451 0.3281 0.8557 0.7041 0.8541 0.7973 0.4104 0.7481 0.6250 0.7166 0.8440 0.7384 0.7508 0.2828 0.1240 0.8246 0.6263 0.8570 0.1241 0.8570 0.8294 0.5957 0.5503 0.7034 0.8337 0.5885 0.7165 0.8570 0.1850 0.8141 0.6114 0.7122 0.5464 0.2226 0.7664 0.7374 0.7898 0.7814 0.5523 0.6347 0.8571 0.5000 0.7036 0.2820 0.3335 0.2743 0.8334 0.8558 0.8571 0.3607 0.6749 0.8057 0.6313 0.8570 0.7911 0.4937 0.7128 0.6296 0.8140 0.6488 0.7028 0.8404 0.4249 0.7686 0.8262 0.8405 0.4054 0.4565 0.4246 0.3627 0.3430 0.7963 0.3784 0.4230 0.2841 0.5237 0.4786 0.5687 0.5749 0.3426 0.3160 0.4667 0.3727 0.4612 0.6637 0.4951 0.8495 0.8276 0.6768 0.5281 0.6504 0.8503 0.5997 0.8453 0.5880 0.3567 0.7100 0.8554 0.6871 0.4468 0.7547 0.3670 0.3606 0.8317 0.5348 0.6079 0.4646 0.6695 0.3844 0.1043 0.0524 0.7857 0.8571 0.8406 0.5008 0.8534 0.8533 0.6910 0.5359 0.8385 0.2401 0.3278 0.3238 0.3828 0.8439 0.3914 0.3636 0.5140 0.2580 0.3969
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
6 6 6 8 7 6 8 7 6 6 8 7 6 6 6 6 6 6 6 6 7 6 6 16 6 7 6 6 6 6 6 6 6 6 6 6 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 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 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
3457.7086 75684.4345 76391.6502
1.00000 0.00033 -0.00115 -0.00042 0.99681 -0.07981 0.00112 0.07981 0.99681
1
0.02505 0.00114 0.00113
0.52195 0.02385 0.02362
9.03 13.02 18.73 25.94 40.07 51.02 66.11 93.46 100.04 114.14 137.07 155.30 209.88 238.43 244.17 262.84 282.92 302.47 338.95 360.86 385.95 409.61 427.81 441.01 455.16 470.47 499.17 518.83 574.61 600.83 610.63 635.07 653.45 658.00 662.56 714.21 754.90 772.07 774.64 791.14 807.10 807.69 839.87 846.28 879.65 895.35 911.31 937.85 983.84 991.20 1004.26 1032.07 1045.41 1065.79 1093.49 1095.77 1136.62 1139.46 1158.00 1175.19 1192.43 1200.21 1211.51 1213.21 1217.51 1230.41 1250.33 1275.28 1316.76 1337.03 1345.37 1348.76 1377.65 1394.41 1403.41 1455.06 1472.46 1481.89 1496.41 1497.26 1506.79 1550.14 1568.44 1573.73 1581.13 1586.49 1599.77 1601.99 1615.54 1630.32 1679.98 1692.56 1708.20 1730.21 1746.60 1768.36 1802.65 1804.82 1833.38 1835.64 1858.76 1870.28 1877.50 1883.74 1892.30 1913.33 1949.93 1997.55 2004.66 2009.36 2025.93 2031.79 2053.40 2116.45 2129.96 2155.04 2167.67 2176.46 2183.68 2219.51 2225.03 2244.00 2253.93 2262.24 2298.04 2301.99 2323.82 2349.07 2363.29 2363.50 2405.28 2414.47 2426.40 2483.69 2502.51 2563.59 2575.93 2591.38 2606.38 2625.67 2660.65 2837.26 2865.77 2950.83 4634.92 4703.33 4737.01 4781.89 4782.12 4812.40 4824.16 4831.91 4839.64 4847.90 4854.01 4873.22 4885.93 4906.49 4910.10 4956.81 4981.66 4990.35 5005.74 5557.44 5584.37
0.472121
0.499856
0.500800
0.406701
-1928.626182
-1928.598447
-1928.597503
-1928.691603
3.156129D-04
MUNgauss
RevisionA2.1
retrievium
10-Jun-2021
DUDE C[C@]1(C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)c3cn4ccsc4n3)c5ccc6ccccc6c5 C21336851
RHF
6-31G(d)
(6D,10F)
C1
495.136512
|X|Y|Z|
36.296743 30.554347 197.283475
60.257410
32
|36.858105|
|12.389939|36.858105|
|7.628532|12.418054|36.858105|
|6.233881|7.798670|16.026260|73.516695|
|5.648738|8.150609|13.917562|14.868250|53.358707|
|5.699472|8.115987|8.336868|9.887808|18.662139|36.858105|
|4.363598|5.443960|5.570130|7.514185|11.311338|15.995246|73.516695|
|7.731990|13.108442|8.299457|9.789672|11.774345|14.032024|14.761212|53.358707|
|4.179604|5.131710|7.730819|11.809151|18.106645|7.713261|11.863805|7.269759|36.858105|
|4.065218|4.407546|5.969822|9.808646|10.629246|5.952735|9.865047|6.139371|12.444165|36.858105|
|4.803132|4.798240|6.072126|9.735195|9.663904|5.985346|9.616808|6.582118|7.988423|15.922920|73.516695|
|3.169255|3.370668|4.301068|7.506626|7.115347|4.319184|7.631027|4.689923|7.912943|14.057694|14.915041|53.358707|
|2.773955|2.821850|3.399108|6.036545|5.262968|3.406960|6.108765|3.898378|5.028668|7.622924|11.494504|18.375864|36.858105|
|2.322933|2.382468|2.817805|5.067346|4.297623|2.824094|5.120431|3.290526|4.010906|5.155927|7.864233|10.846992|13.702479|36.858105|
|2.069542|2.081775|2.390977|4.310342|3.552935|2.394750|4.346856|2.865298|3.138883|3.892015|6.377887|7.064178|7.906259|13.806453|36.858105|
|2.095316|2.056532|2.318324|4.164092|3.389272|2.320576|4.194423|2.821314|2.893037|3.653743|6.368035|6.153523|6.792385|7.909345|13.697152|36.858105|
|2.413025|2.324564|2.618149|4.665815|3.818889|2.620582|4.702639|3.184331|3.226515|4.310647|7.939198|6.982065|7.958700|6.942603|8.002927|13.705451|36.858105|
|2.848055|2.770449|3.213765|5.676265|4.795291|3.218199|5.732944|3.804850|4.195013|6.262249|11.589022|10.497801|13.709748|7.949776|6.866858|7.848329|13.772174|36.858105|
|1.835170|1.789236|1.976849|3.555958|2.848021|1.977835|3.575799|2.449779|2.364180|2.854866|5.050851|4.558951|4.452044|5.072043|7.668329|12.920644|7.601330|5.034274|36.858105|
|1.773454|1.703102|1.851560|3.327679|2.631126|1.846097|3.322127|2.322541|2.132447|2.549393|4.634326|3.902348|3.632929|3.844253|5.046858|7.453671|6.208022|4.281108|14.007090|36.858105|
|1.572203|1.519198|1.640952|2.951729|2.326084|1.639051|2.956043|2.073744|1.873635|2.179804|3.919333|3.313154|2.969504|3.216345|4.127740|5.256349|4.350297|3.313233|8.761904|13.812386|53.358707|
|1.438689|1.385609|1.480574|2.662113|2.083576|1.477763|2.661044|1.888731|1.655808|1.894343|3.423706|2.823280|2.450309|2.606227|3.175673|3.811646|3.367532|2.706501|5.352177|7.354354|18.692869|36.858105|
|1.326216|1.287770|1.376013|2.475415|1.939690|1.375985|2.483210|1.758217|1.543087|1.740286|3.110475|2.599950|2.223895|2.405288|2.906278|3.306051|2.876372|2.385701|4.442569|5.253562|11.496133|14.346343|36.858105|
|1.339053|1.315974|1.420296|2.557539|2.019674|1.424368|2.580827|1.802379|1.629073|1.831764|3.215934|2.792049|2.404391|2.704250|3.360054|3.649785|2.998786|2.501044|4.947650|5.040044|10.132259|7.372737|10.812761|388.023441|
|1.526051|1.494214|1.626600|2.928973|2.323834|1.629869|2.951958|2.046160|1.894643|2.184755|3.846189|3.386992|3.039199|3.459792|4.612629|5.424637|4.133231|3.236424|9.034872|8.727093|19.186439|8.249636|7.737876|77.606584|36.858105|
|1.647053|1.624475|1.790889|3.225668|2.583829|1.797419|3.262936|2.229449|2.144876|2.507078|4.349397|4.004694|3.724955|4.473061|6.614349|7.683579|5.079527|3.884238|13.807314|8.452146|11.750312|5.512760|5.083495|48.171709|14.816522|53.358707|
|7.493422|12.461998|7.532198|11.007759|7.529307|5.446753|7.364014|10.437937|3.975195|3.375704|6.247276|3.746599|2.354119|2.053912|1.818666|1.787161|1.977887|2.293616|1.580249|1.509876|1.856760|1.255017|1.174943|8.538130|1.346443|1.978377|36.858105|
|6.156695|7.472705|6.098930|10.809074|6.004089|4.056924|5.786721|6.823581|3.461893|3.030450|5.584491|3.459100|2.211413|1.952029|1.743506|1.715903|1.886953|2.161370|1.528070|1.465709|1.808936|1.227076|1.150141|8.339822|1.310398|1.917977|13.364970|36.858105|
|4.374337|5.010801|4.341438|7.815697|4.707592|3.264044|4.874115|5.290435|2.856352|2.519493|4.576824|2.967404|1.926014|1.732892|1.563777|1.536073|1.667858|1.878883|1.383477|1.330910|1.657577|1.131637|1.066404|7.730219|1.203496|1.751964|7.879658|14.054481|36.858105|
|3.736514|4.382078|3.724394|6.389532|4.309603|3.120533|4.770825|5.071368|2.628389|2.300357|4.144119|2.735431|1.779360|1.614058|1.460753|1.431304|1.544647|1.730285|1.294995|1.245548|1.559132|1.067492|1.009722|7.328860|1.135013|1.649144|6.757021|7.877736|13.409453|36.858105|
|2.943832|3.303902|2.933138|5.127529|3.513602|2.550544|4.020276|3.995786|2.222742|1.973811|3.536800|2.396356|1.579291|1.451323|1.325136|1.298160|1.388751|1.536768|1.184987|1.142883|1.440603|0.991489|0.941748|6.830906|1.050168|1.518794|4.495226|5.115472|7.654805|13.426345|36.858105|
|2.591704|2.907825|2.587983|4.447337|3.207427|2.379631|3.831632|3.687081|2.049769|1.822792|3.253231|2.230947|1.475959|1.364528|1.249899|1.223170|1.302798|1.434753|1.120805|1.081235|1.368154|0.943822|0.899002|6.525640|0.999110|1.442402|3.772157|3.942764|5.116145|7.893332|14.016288|36.858105|
|2.668778|3.059950|2.672606|4.462374|3.388370|2.585308|4.198462|4.039107|2.142559|1.890032|3.369096|2.302407|1.515862|1.397743|1.276479|1.247863|1.331179|1.471050|1.140589|1.098248|1.388075|0.956063|0.910441|6.617729|1.014545|1.467210|3.935290|3.786646|4.519053|6.814902|7.916297|13.457243|36.858105|
|3.182921|3.805755|3.195607|5.173182|4.044913|3.152393|5.033291|5.096578|2.478993|2.155195|3.852598|2.582145|1.680704|1.533687|1.389988|1.358486|1.459279|1.628998|1.232515|1.183580|1.487586|1.020069|0.968212|7.043986|1.086433|1.577585|5.112600|4.523722|5.113488|7.824627|6.838451|7.916663|14.016761|36.858105|
|3.978604|4.958910|3.989476|6.434940|4.778341|3.630308|5.536411|6.120853|2.831819|2.439344|4.390670|2.869681|1.850217|1.669545|1.503464|1.471129|1.592372|1.794763|1.325649|1.271658|1.588694|1.085237|1.025950|7.459468|1.157698|1.686344|7.851358|6.823564|7.845906|13.549981|7.820536|6.811675|7.889512|13.420474|36.858105|
|5.282858|7.546091|5.335617|7.951305|6.262488|4.924268|7.094739|9.207843|3.461544|2.926676|5.319221|3.337384|2.115742|1.875727|1.671495|1.637056|1.792174|2.052439|1.459402|1.395231|1.728954|1.173887|1.104558|8.037249|1.257948|1.842283|14.012213|7.939636|6.859806|7.807521|5.101268|4.515864|5.120864|7.676031|13.396997|36.858105|
|17.623193|8.765075|6.843795|11.633356|6.609051|4.541695|6.414762|7.626261|3.820309|3.756193|7.742709|4.097673|2.671923|2.259788|2.026926|2.055431|2.354905|2.747915|1.810142|1.755748|2.122664|1.430651|1.318791|9.447147|1.511194|2.213405|6.836667|6.800470|4.729105|3.797040|3.009865|2.589584|2.591117|3.014702|3.802826|4.736732|0.500000|
|17.560529|8.829686|5.535369|8.303843|6.169781|4.919305|7.080165|9.411815|3.485178|3.396098|7.002486|3.733271|2.450777|2.087100|1.885547|1.919172|2.193948|2.534562|1.703679|1.659903|2.016946|1.366457|1.261994|9.016160|1.434560|2.091494|6.828980|5.574727|4.239782|3.773554|2.996994|2.669821|2.776728|3.324573|4.093824|5.347082|0.301129|0.500000|
|17.576700|8.801595|7.084941|10.365131|7.944776|5.937308|8.307092|9.682710|4.492524|4.705358|10.742449|4.857093|3.143071|2.564605|2.278616|2.333805|2.750621|3.308786|2.021778|1.954398|2.330700|1.556688|1.424732|10.210159|1.653302|2.438383|5.477798|4.660825|3.535454|3.101304|2.530140|2.271077|2.348254|2.757246|3.306232|4.239166|0.301134|0.299369|0.500000|
|6.987994|8.833044|5.891624|7.744969|8.320465|9.402740|13.122894|26.049614|4.324385|3.885551|7.561095|4.184721|2.636076|2.244869|1.985047|1.975045|2.230542|2.622497|1.732292|1.655888|2.018145|1.357384|1.262944|9.156965|1.456638|2.146666|6.325302|4.373349|3.545450|3.495494|2.810294|2.640788|2.933094|3.696799|4.269890|6.147774|0.140563|0.200042|0.183107|0.500000|
|3.564134|4.355487|5.756668|8.810355|12.636666|7.231328|13.037908|6.630398|17.618362|8.840279|10.952963|9.705497|4.719831|3.947511|3.088868|2.800765|3.052440|3.867779|2.304529|2.065889|2.492299|1.620012|1.519642|11.491945|1.868259|2.884150|3.540702|3.057713|2.600290|2.461410|2.110680|1.979946|2.094767|2.418571|2.691622|3.244194|0.089838|0.085956|0.105235|0.113553|0.500000|
|3.820896|4.651491|7.211506|12.924494|12.639171|5.738157|8.826109|6.110044|17.609918|8.855648|11.053602|9.613301|4.702290|3.935212|3.083159|2.797536|3.048422|3.859511|2.303271|2.071554|2.494988|1.622793|1.519700|11.460570|1.864587|2.873235|3.846592|3.512439|2.927802|2.656580|2.259887|2.065933|2.128495|2.431723|2.792883|3.323673|0.101465|0.088713|0.110305|0.102407|0.300244|0.500000|
|2.887125|3.155759|4.032556|7.103189|6.734928|4.065453|7.267628|4.409246|7.786103|9.501696|10.880148|26.049828|9.352424|7.676579|4.936318|4.070581|4.299940|5.747024|3.110372|2.645032|3.125738|1.969082|1.838208|14.222795|2.389483|3.849871|2.652819|2.458594|2.136034|1.984445|1.748634|1.634480|1.687863|1.885802|2.081682|2.396943|0.076567|0.070119|0.087696|0.080063|0.215714|0.210978|0.500000|
|2.222420|2.328065|2.774985|5.005654|4.271903|2.782311|5.059421|3.222933|4.066387|4.832568|7.079300|10.008989|8.897341|17.687457|8.964145|5.640073|4.985707|5.645463|4.133605|3.240716|3.850396|2.347694|2.212883|17.905420|3.094644|5.318249|2.034245|1.934835|1.728770|1.617867|1.459116|1.375174|1.409418|1.543467|1.674116|1.871434|0.060086|0.055556|0.067057|0.060723|0.114512|0.114071|0.235819|0.500000|
|1.865469|1.887121|2.149956|3.886905|3.176915|2.153388|3.917502|2.597335|2.773699|3.279997|5.361705|5.738522|5.638637|8.950409|17.758801|8.933554|5.677116|4.952059|7.108797|4.721556|5.666188|3.222354|3.045244|26.401065|5.014589|10.280598|1.673847|1.612510|1.460704|1.371256|1.252909|1.186110|1.209688|1.309627|1.407868|1.551068|0.050920|0.047561|0.056345|0.050143|0.076843|0.076711|0.116914|0.216800|0.500000|
|2.378739|2.242759|2.468068|4.384193|3.538195|2.470353|4.417098|3.063224|2.886642|3.753706|7.226226|5.666063|5.676658|4.988286|5.665601|8.898459|17.716402|9.021802|6.981095|6.851147|6.241484|3.602040|2.978941|21.119588|4.059461|6.334159|1.913802|1.831059|1.622357|1.502740|1.354080|1.270861|1.297077|1.418988|1.546445|1.735748|0.064647|0.060707|0.075659|0.060319|0.075639|0.075541|0.098438|0.108082|0.124353|0.500000|
|3.290114|3.112666|3.572135|6.208187|5.271032|3.576874|6.272726|4.263050|4.418997|6.837646|14.964129|9.515584|8.908696|5.653444|4.957476|5.619198|8.934696|17.828087|4.107952|3.738997|4.020737|2.485741|2.189019|15.967495|2.826050|4.435775|2.511290|2.346924|2.013354|1.844184|1.624069|1.510397|1.551040|1.728984|1.919324|2.221034|0.087298|0.080586|0.109958|0.081834|0.109952|0.109706|0.143148|0.124079|0.107655|0.218261|0.500000|
|1.853215|1.754959|1.892764|3.396646|2.667707|1.880264|3.366454|2.384777|2.133790|2.567170|4.778031|3.833933|3.518632|3.532546|4.349511|6.288675|6.224731|4.335649|8.553989|17.850717|12.079082|6.365727|4.513141|28.883447|5.952285|7.846975|1.549435|1.505042|1.362677|1.271763|1.164697|1.099763|1.116328|1.204513|1.297490|1.426494|0.051039|0.048286|0.057093|0.047420|0.056925|0.057259|0.071152|0.082753|0.109581|0.218604|0.109476|0.500000|
|1.441809|1.377267|1.461197|2.624850|2.044158|1.455605|2.613490|1.873269|1.609020|1.840320|3.364438|2.703618|2.323910|2.413565|2.866001|3.457435|3.206802|2.605131|4.572634|6.428174|12.144201|17.804099|8.844122|37.289104|5.784100|5.983416|1.247787|1.221645|1.126866|1.062166|0.986854|0.938931|0.950326|1.013462|1.078696|1.166223|0.039887|0.038181|0.043378|0.037533|0.043546|0.043691|0.052057|0.060339|0.079054|0.098163|0.067751|0.177386|0.500000|
|1.240530|1.204229|1.279663|2.301298|1.797708|1.279420|2.307240|1.643319|1.420492|1.586694|2.839528|2.348455|1.977484|2.120061|2.500714|2.789517|2.485621|2.109005|3.557564|4.108872|7.889890|8.879792|17.816154|54.562326|5.430285|5.410316|1.104870|1.083655|1.009049|0.957570|0.896260|0.857124|0.867264|0.919550|0.971720|1.041995|0.034305|0.032927|0.036855|0.032870|0.038901|0.038908|0.046289|0.054773|0.072588|0.071623|0.054405|0.103031|0.202092|0.500000|
|6.474505|6.973870|6.421004|12.814418|6.025670|3.888682|5.562257|6.249150|3.569951|3.208686|5.977216|3.654882|2.346373|2.058250|1.838012|1.815397|2.006976|2.305951|1.611628|1.547190|1.901122|1.286644|1.201944|8.702106|1.373432|2.012462|8.796901|17.759976|9.053085|5.621410|4.150043|3.293209|3.134351|3.605633|4.929988|5.659681|0.226883|0.152044|0.138598|0.110853|0.085403|0.102310|0.071490|0.056336|0.047022|0.054125|0.069839|0.044251|0.035611|0.031398|0.500000|
|3.779260|4.089707|3.747088|7.049462|4.125487|2.822956|4.293327|4.422980|2.592511|2.328800|4.223441|2.787538|1.830676|1.660399|1.508481|1.483683|1.603195|1.790220|1.343819|1.296327|1.619743|1.109063|1.046505|7.574623|1.175470|1.705893|5.611963|9.031892|17.707152|8.829632|7.018425|4.684983|3.930960|4.152499|5.603786|4.944432|0.117222|0.101362|0.087495|0.083183|0.065579|0.074828|0.055829|0.046017|0.039287|0.043407|0.052990|0.036868|0.030703|0.027552|0.218380|0.500000|
|2.740118|2.992291|2.725300|4.886729|3.247961|2.321402|3.673390|3.578636|2.089553|1.876665|3.363993|2.296915|1.524473|1.407015|1.290233|1.265442|1.350128|1.486339|1.159262|1.120334|1.415033|0.975879|0.927641|6.720148|1.030961|1.487792|3.916098|4.688979|7.020420|8.836181|17.705648|8.993306|5.623228|4.933134|5.594800|4.148060|0.079570|0.076818|0.066012|0.069744|0.054854|0.059574|0.046556|0.039276|0.033960|0.036619|0.043509|0.031721|0.027000|0.024552|0.111429|0.212136|0.500000|
|2.273519|2.502539|2.269332|3.939916|2.840137|2.099938|3.422789|3.198223|1.846968|1.658169|2.954570|2.050803|1.367280|1.272727|1.172118|1.147455|1.216400|1.330466|1.056933|1.021479|1.297788|0.898130|0.857574|6.221141|0.948315|1.365081|3.121471|3.288405|4.140809|5.616576|9.004981|17.716551|8.825885|5.650123|4.920120|3.598616|0.063461|0.064954|0.056132|0.063920|0.049763|0.051876|0.041823|0.035665|0.031020|0.033007|0.038737|0.028832|0.024825|0.022761|0.079014|0.111035|0.216353|0.500000|
|2.365925|2.676185|2.370852|3.958312|3.067087|2.359643|3.908585|3.619630|1.969219|1.748958|3.110058|2.150183|1.423914|1.320785|1.211126|1.183698|1.257504|1.382073|1.086381|1.046902|1.327900|0.916788|0.875138|6.362451|0.971711|1.402403|3.285241|3.132105|3.600645|4.921833|5.649843|8.825354|17.716968|9.005605|5.615018|4.146561|0.063513|0.068516|0.058826|0.073877|0.054059|0.054167|0.043899|0.037046|0.031992|0.034065|0.040322|0.029517|0.025308|0.023196|0.074150|0.089621|0.124037|0.213847|0.500000|
|3.106023|3.734138|3.127726|4.956631|4.097115|3.306008|5.390207|5.320532|2.509945|2.178894|3.889365|2.610385|1.697162|1.548129|1.401944|1.369453|1.471249|1.643674|1.241566|1.190895|1.496743|1.025685|0.973838|7.092003|1.094064|1.589878|4.697064|3.940963|4.157855|5.595912|4.933049|5.623986|8.996192|17.704576|8.833177|7.052649|0.079762|0.090685|0.076057|0.109861|0.069095|0.067345|0.052990|0.043290|0.036682|0.039719|0.048458|0.033636|0.028288|0.025683|0.089841|0.095858|0.107170|0.124058|0.216463|0.500000|
|4.920381|6.969688|5.013320|7.203693|6.434603|5.548094|8.180935|10.653386|3.537856|2.978408|5.398853|3.391696|2.144524|1.899258|1.689824|1.653571|1.810896|2.077377|1.472238|1.405063|1.740948|1.180908|1.111600|8.099613|1.268199|1.859459|9.003560|5.631425|4.947903|5.602251|4.158314|3.944814|4.714694|7.088342|8.868199|17.749589|0.117011|0.140930|0.115196|0.209366|0.094690|0.091626|0.067722|0.052657|0.043534|0.048674|0.062455|0.039854|0.032558|0.029115|0.124043|0.107427|0.095908|0.089900|0.111757|0.215126|0.500000|
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