Version2.1
2021-01-12T03:32:07Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
21-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1ccc(cc1)[C@]2(CSC3=C([C@@H](CC(=O)N32)c4ccc(c(c4)OCC)O)C#N)O C12275245
RHF
6-31G(d)
(6D,7F)
CCOc1ccc(cc1)[C@]2(CSC3=C([C@@H](CC(=O)N32)c4ccc(c(c4)OCC)O)C#N)O
C01[X(C24H24N2O5S1)]
162
C1
532
CCOc1ccc(cc1)[C@@]1(O)CSC2=C([C@@H](CC(=O)N12)c1ccc(c(c1)OCC)O)C#N
CCOc1ccc(cc1)[C@@]1(O)CSC2=C([C@@H](CC(=O)N12)c1ccc(c(c1)OCC)O)C#N
CCOc1ccc(cc1)[C@@]2(O)CSC3=C(C#N)[C@@H](CC(=O)N23)c4ccc(O)c(OCC)c4
InChIKey=QWWLVYUSIMTMDQ-UUOWRZLLSA-N
InChI=1S/C24H24N2O5S/c1-3-30-17-8-6-16(7-9-17)24(29)14-32-23-19(13-25)18(12-22(28)26(23)24)15-5-10-20(27)21(11-15)31-4-2/h5-11,18,27,29H,3-4,12,14H2,1-2H3/t18-,24-/m0/s1
InChI=1/C24H24N2O5S/c1-3-30-17-8-6-16(7-9-17)24(29)14-32-23-19(13-25)18(12-22(28)26(23)24)15-5-10-20(27)21(11-15)31-4-2/h5-11,18,27,29H,3-4,12,14H2,1-2H3/t18-,24-/m0/s1
CCOc1ccc(cc1)[C@]2(CSC3=C([C@@H](CC(=O)N32)c4ccc(c(c4)OCC)O)C#N)O
C01[X(C24H24N2O5S1)]
162
C01
532
CCOc1ccc(cc1)[C@@]1(O)CSC2=C([C@@H](CC(=O)N12)c1ccc(c(c1)OCC)O)C#N
CCO[C]1[CH][CH][C]([CH][CH]1)[C@@]1(O)CSC2=C([C@@H](CC(=O)N12)[C]1[CH][CH][C]([C]([CH]1)OCC)O)C#N
CCO[C]1[CH][CH][C]([CH][CH]1)[C@@]2(O)CSC3=C(C#N)[C@@H](CC(=O)N23)[C]4[CH][CH][C](O)[C]([CH]4)OCC
InChIKey=QWWLVYUSIMTMDQ-UUOWRZLLSA-N
InChI=1S/C24H24N2O5S/c1-3-30-17-8-6-16(7-9-17)24(29)14-32-23-19(13-25)18(12-22(28)26(23)24)15-5-10-20(27)21(11-15)31-4-2/h5-11,18,27,29H,3-4,12,14H2,1-2H3/t18-,24-/m0/s1
InChI=1/C24H24N2O5S/c1-3-30-17-8-6-16(7-9-17)24(29)14-32-23-19(13-25)18(12-22(28)26(23)24)15-5-10-20(27)21(11-15)31-4-2/h5-11,18,27,29H,3-4,12,14H2,1-2H3/t18-,24-/m0/s1
3323.8410678752
-1803.514698
1-A
20744.1390
119
413
532
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10.91549
4.9368 -2.1799 -3.0281
6.1881
|XX|YY|ZZ|XY|XZ|YZ|
-158.9005 -215.7935 -182.7465 26.5691 7.8176 16.3288
|XX|YY|ZZ|XY|XZ|YZ|
26.9130 -29.9800 3.0670 26.5691 7.8176 16.3288
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
20.3221 -115.6464 16.1297 77.5443 -128.8365 -141.4367 45.7731 -16.0263 35.1130 -19.9237
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-19173.3339 -4459.2690 -1712.5001 334.3628 -133.3430 413.7276 195.8526 129.7760 79.8769 -4322.2148 -3760.5259 -1006.6151 317.6505 -67.3881 36.0814
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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|
9.7589 19.3394 24.7669 39.8031 46.0468 47.8516 55.3203 74.1512 92.4770 96.3661 103.3515 106.5950 116.4470 131.3475 140.2666 144.5044 168.3265 197.0549 224.6923 229.3103 241.4810 264.4712 274.9495 278.0704 290.7927 306.5687 332.6310 342.9639 347.9630 363.0661 375.1390 402.2325 417.4769 420.9285 422.5727 439.7245 459.6970 466.4253 480.9333 495.6382 514.0665 524.2994 555.2104 559.5802 575.7427 598.2976 611.0017 634.2956 659.9730 678.9490 682.5930 700.3803 703.4016 711.3329 756.5278 787.6563 799.7572 805.4213 826.1410 829.9078 874.4718 884.8082 897.0548 900.0859 902.2822 930.3793 944.4252 945.8668 954.7846 970.4340 983.1841 1004.6830 1015.8055 1036.3267 1059.3081 1073.4710 1075.3915 1078.9247 1095.8492 1107.0871 1119.8544 1143.9907 1162.9861 1170.6603 1189.1080 1210.0385 1213.0456 1224.5691 1244.7715 1251.6769 1263.6800 1279.9950 1285.0826 1300.2929 1300.3881 1302.6363 1309.5723 1317.1035 1327.2562 1341.5032 1377.1669 1394.5075 1403.5926 1405.5786 1426.3923 1431.3318 1432.5244 1438.4364 1445.0049 1459.2183 1460.4259 1467.5882 1483.6434 1508.0356 1521.3446 1545.8568 1547.9032 1578.2806 1587.3392 1587.9577 1608.8492 1616.4478 1628.9979 1629.6462 1637.1244 1644.8787 1645.4826 1678.0977 1680.8643 1702.3782 1703.2091 1776.2944 1805.6935 1815.8309 1818.2543 1822.7606 2023.6566 2584.3548 3203.6571 3208.2716 3209.3827 3217.5194 3217.8739 3238.9973 3243.4709 3249.2157 3283.8736 3283.9093 3285.1596 3294.8528 3297.6439 3320.0727 3348.7646 3362.8986 3377.2744 3388.3166 3389.9870 3397.4124 3408.2347 3411.1867 4089.1104 4102.9611
4.5887 5.9362 4.4333 5.7599 3.7365 4.8155 5.3264 6.0435 8.0069 6.2818 1.8687 4.2744 1.8481 8.3540 4.2732 5.0152 6.3955 6.2950 4.5388 4.4732 5.4618 5.8589 1.3537 1.1860 3.3389 7.5073 4.2359 1.1965 4.9538 4.5311 3.6950 4.6396 1.8748 2.9178 2.2616 5.3939 7.0510 3.0858 7.5565 4.8190 3.0332 5.0573 5.5025 4.7450 4.9080 3.9903 3.8250 5.8025 6.3936 4.8138 5.6441 6.1338 6.1679 4.8447 6.1503 4.9486 4.1650 4.2047 4.7774 4.6670 5.4343 5.1643 2.7753 1.3645 1.0977 1.2336 1.5728 1.7883 2.9127 2.3736 1.4683 2.4225 2.3492 2.8934 3.7553 2.8911 1.4118 1.3886 1.3872 2.5412 2.5532 2.8888 2.9769 3.1344 1.9567 2.9295 1.9456 2.4081 2.4957 2.3476 1.9015 2.3200 2.1094 1.5180 1.5329 3.2168 1.2025 2.3485 1.6951 1.5690 2.6716 2.6017 2.8931 3.1416 3.4640 1.1005 1.0993 1.7920 2.0435 1.7378 1.8505 1.6138 1.7635 1.6326 1.8202 1.2329 1.2450 2.3740 1.3833 1.5284 2.6760 1.1445 1.0409 1.0409 1.1058 1.0567 1.0579 1.1774 1.1335 2.3039 2.8816 6.3562 5.8236 8.8934 6.3010 5.5659 12.1834 12.7010 1.0548 1.0531 1.0716 1.0401 1.0386 1.0856 1.1094 1.1093 1.1024 1.1028 1.0635 1.1056 1.1053 1.0958 1.1040 1.0919 1.0901 1.0909 1.0903 1.0955 1.0931 1.0948 1.0657 1.0667
0.0003 0.0013 0.0016 0.0054 0.0047 0.0065 0.0096 0.0196 0.0403 0.0344 0.0118 0.0286 0.0148 0.0849 0.0495 0.0617 0.1068 0.1440 0.1350 0.1386 0.1877 0.2414 0.0603 0.0540 0.1664 0.4157 0.2761 0.0829 0.3534 0.3519 0.3064 0.4423 0.1925 0.3046 0.2379 0.6145 0.8779 0.3955 1.0298 0.6975 0.4723 0.8191 0.9994 0.8754 0.9585 0.8416 0.8413 1.3755 1.6408 1.3074 1.5494 1.7727 1.7980 1.4443 2.0740 1.8088 1.5696 1.6070 1.9211 1.8938 2.4484 2.3821 1.3158 0.6513 0.5265 0.6292 0.8265 0.9427 1.5645 1.3170 0.8362 1.4407 1.4282 1.8308 2.4828 1.9629 0.9620 0.9524 0.9815 1.8351 1.8865 2.2275 2.3723 2.5308 1.6301 2.5272 1.6868 2.1276 2.2783 2.1670 1.7890 2.2395 2.0525 1.5122 1.5273 3.2161 1.2151 2.4003 1.7593 1.6636 2.9854 2.9809 3.3581 3.6569 4.1524 1.3284 1.3292 2.1846 2.5140 2.1801 2.3253 2.0479 2.2871 2.1875 2.4822 1.7359 1.7576 3.4842 2.0536 2.2707 4.0811 1.7619 1.6274 1.6287 1.7462 1.6844 1.6877 1.9534 1.8869 3.9340 4.9251 11.8162 11.1875 17.2770 12.2736 10.8955 29.3963 49.9797 6.3781 6.3862 6.5033 6.3438 6.3364 6.7103 6.8764 6.9002 7.0041 7.0067 6.7622 7.0713 7.0819 7.1165 7.2945 7.2755 7.3254 7.3788 7.3824 7.4502 7.4815 7.5055 10.4988 10.5800
0.8598 0.3369 0.2426 1.7386 1.2384 0.9440 0.6944 2.0967 0.6756 2.9580 2.2926 1.3668 2.3179 2.9146 1.5024 1.8010 0.8698 5.5053 2.6515 0.2740 1.0018 5.5559 0.7120 2.5626 1.6914 8.9115 6.1916 150.7457 3.6848 11.6894 1.2848 1.5723 64.5458 22.2349 40.5052 1.9753 10.8588 2.0012 5.4736 1.2966 3.6358 9.5397 6.0981 11.5296 8.0214 19.3785 8.5358 26.6661 3.3840 4.0389 25.9275 17.9449 24.4351 0.8385 7.5192 0.6110 1.7364 2.4669 0.2564 14.2030 12.3491 18.0301 12.5276 1.8875 0.2268 1.7469 31.7904 56.0075 11.9593 6.7011 18.9856 4.2783 11.9915 36.9003 16.8232 12.2338 0.4081 4.3168 2.4198 13.3710 15.5069 17.5613 67.0735 46.3015 16.6268 28.7448 8.0520 14.2634 1.4012 32.5651 17.1526 83.6892 61.0490 4.7890 2.7842 39.0538 87.5084 17.6021 66.3138 141.6069 74.7383 212.7660 343.8010 198.0889 541.4825 2.4476 3.1406 26.2241 90.1533 62.2377 133.2816 54.8579 12.8938 132.6240 84.0184 13.9650 6.5609 25.8928 49.1580 40.8041 83.0552 10.5225 3.7706 4.2008 18.8043 3.7670 2.6943 60.3351 33.8179 233.3020 180.4011 23.3660 14.2174 372.7537 147.1188 68.0602 383.4004 96.0654 28.1969 28.3210 16.5262 25.8985 30.9692 22.1868 35.6002 26.5481 27.3296 46.8278 25.0176 49.2040 46.7955 9.5254 12.1075 13.8277 7.7800 12.7520 7.1221 5.0750 16.3436 4.8859 160.1291 59.6356
2.8264 1.3247 0.6464 0.9007 4.2117 1.6409 2.9099 3.6577 0.8462 0.2279 0.2167 0.5271 0.8477 2.7717 0.8843 1.4343 0.1508 0.6622 1.8799 1.5257 1.3769 2.3273 0.3152 0.0561 0.2376 1.6206 3.3256 1.5775 1.4205 0.4416 0.4333 1.6789 0.9143 3.3877 2.9733 1.0372 2.4397 0.1517 7.6965 2.0129 0.8404 2.0924 0.2357 2.9603 0.8932 3.6953 1.0762 1.9255 2.2121 1.3538 12.2747 4.1740 1.5036 9.6884 6.2470 2.7468 9.2607 9.1523 13.1839 4.9382 13.1240 24.7077 13.0072 4.5687 0.3848 1.4301 1.4912 3.3876 0.8766 3.0887 1.0811 2.5315 4.3345 13.8496 4.4641 5.6288 1.9153 1.7414 0.3898 1.9684 1.2430 17.3478 7.7801 12.5496 11.2444 4.2957 3.8124 6.5963 2.1340 7.3570 3.1754 21.1043 0.8816 1.2631 1.2060 3.8362 7.3757 3.2336 17.0724 7.8992 5.8001 12.6780 5.3437 9.4419 15.3461 13.4628 15.1013 8.3889 4.1069 6.8607 5.0295 3.6841 25.2345 11.4629 5.6464 0.6658 2.0717 4.2238 4.9665 5.5174 1.3721 8.8337 23.8710 22.6461 15.3176 19.0376 18.9454 7.2898 5.7848 1.2536 4.5515 7.3829 34.6527 289.3495 85.3161 62.3481 9.5721 304.9896 34.9118 20.9469 70.6252 153.9034 177.1578 84.3706 58.6449 58.7716 101.2933 77.2826 106.9618 40.1894 46.1107 62.6808 59.1088 36.9188 52.2668 38.1787 82.1041 117.4376 56.6558 130.6010 74.4346 82.2128
0.7471 0.7487 0.7321 0.6729 0.7498 0.7468 0.7475 0.7316 0.5111 0.7496 0.7324 0.6336 0.7497 0.5201 0.6973 0.5738 0.3381 0.2105 0.3802 0.3668 0.7455 0.2065 0.6165 0.2268 0.7495 0.3168 0.5953 0.5566 0.1540 0.6385 0.7389 0.7416 0.6834 0.7451 0.7070 0.7033 0.6909 0.6851 0.2520 0.6413 0.5338 0.3291 0.6026 0.5376 0.5310 0.3289 0.5053 0.5502 0.6121 0.3244 0.2564 0.7491 0.7464 0.3016 0.7451 0.4004 0.3530 0.2363 0.3166 0.4790 0.1750 0.0860 0.2167 0.2641 0.4011 0.7488 0.4797 0.7499 0.0547 0.5322 0.7482 0.7076 0.7450 0.1996 0.1659 0.7474 0.6227 0.7380 0.3388 0.3500 0.4474 0.6669 0.5097 0.2716 0.3197 0.3684 0.3082 0.2720 0.3342 0.2235 0.1771 0.0609 0.6256 0.7388 0.6909 0.4358 0.1791 0.0699 0.3847 0.3864 0.2210 0.5065 0.5704 0.2693 0.2560 0.7468 0.7428 0.3291 0.0598 0.4427 0.4991 0.6730 0.5178 0.1202 0.7367 0.4257 0.2639 0.3938 0.6856 0.5467 0.7492 0.7474 0.7486 0.7500 0.7494 0.7117 0.7050 0.5261 0.5426 0.3164 0.2755 0.5962 0.3534 0.3519 0.2349 0.5978 0.3175 0.2987 0.3123 0.5069 0.2883 0.0088 0.0112 0.1642 0.7487 0.7463 0.7427 0.7227 0.1800 0.7498 0.7487 0.4877 0.7468 0.3042 0.6383 0.2451 0.4813 0.1695 0.2653 0.1593 0.2640 0.3033
0.8552 0.8563 0.8453 0.8044 0.8570 0.8550 0.8555 0.8450 0.6765 0.8569 0.8455 0.7757 0.8570 0.6843 0.8217 0.7292 0.5053 0.3478 0.5509 0.5367 0.8542 0.3423 0.7627 0.3698 0.8568 0.4812 0.7464 0.7151 0.2669 0.7794 0.8498 0.8516 0.8120 0.8540 0.8283 0.8258 0.8172 0.8131 0.4025 0.7815 0.6961 0.4952 0.7521 0.6993 0.6936 0.4950 0.6714 0.7099 0.7594 0.4898 0.4082 0.8565 0.8548 0.4634 0.8539 0.5718 0.5219 0.3822 0.4809 0.6477 0.2978 0.1584 0.3562 0.4178 0.5726 0.8563 0.6484 0.8571 0.1038 0.6947 0.8560 0.8288 0.8539 0.3328 0.2846 0.8555 0.7675 0.8493 0.5061 0.5186 0.6182 0.8001 0.6752 0.4272 0.4845 0.5385 0.4711 0.4276 0.5010 0.3653 0.3009 0.1149 0.7697 0.8498 0.8172 0.6070 0.3037 0.1306 0.5556 0.5574 0.3620 0.6724 0.7265 0.4243 0.4077 0.8550 0.8524 0.4952 0.1128 0.6137 0.6659 0.8045 0.6823 0.2146 0.8484 0.5971 0.4176 0.5651 0.8134 0.7070 0.8566 0.8554 0.8563 0.8571 0.8567 0.8315 0.8270 0.6894 0.7035 0.4807 0.4320 0.7470 0.5222 0.5205 0.3804 0.7482 0.4820 0.4599 0.4760 0.6728 0.4476 0.0174 0.0222 0.2822 0.8563 0.8547 0.8524 0.8391 0.3052 0.8570 0.8563 0.6556 0.8551 0.4665 0.7792 0.3937 0.6498 0.2898 0.4194 0.2748 0.4178 0.4654
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
6 6 8 6 6 6 6 6 6 6 6 16 6 6 6 1 6 6 8 7 6 6 6 6 6 6 8 6 6 8 6 7 8 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 14.00307 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
7547.5617 31808.1470 35026.3154
1.00000 0.00089 0.00187 -0.00095 0.99946 0.03284 -0.00184 -0.03284 0.99946
1
0.01148 0.00272 0.00247
0.23912 0.05674 0.05153
14.04 27.83 35.63 57.27 66.25 68.85 79.59 106.69 133.05 138.65 148.70 153.37 167.54 188.98 201.81 207.91 242.18 283.52 323.28 329.93 347.44 380.52 395.59 400.08 418.39 441.08 478.58 493.45 500.64 522.37 539.74 578.72 600.66 605.62 607.99 632.67 661.40 671.08 691.96 713.11 739.63 754.35 798.82 805.11 828.37 860.82 879.10 912.61 949.55 976.86 982.10 1007.69 1012.04 1023.45 1088.47 1133.26 1150.67 1158.82 1188.63 1194.05 1258.17 1273.04 1290.66 1295.02 1298.18 1338.61 1358.82 1360.89 1373.72 1396.24 1414.58 1445.51 1461.52 1491.04 1524.11 1544.49 1547.25 1552.33 1576.68 1592.85 1611.22 1645.95 1673.28 1684.32 1710.86 1740.98 1745.30 1761.88 1790.95 1800.88 1818.15 1841.63 1848.95 1870.83 1870.97 1874.20 1884.18 1895.02 1909.63 1930.12 1981.44 2006.39 2019.46 2022.31 2052.26 2059.37 2061.08 2069.59 2079.04 2099.49 2101.23 2111.53 2134.63 2169.73 2188.88 2224.14 2227.09 2270.79 2283.83 2284.72 2314.78 2325.71 2343.76 2344.70 2355.46 2366.61 2367.48 2414.41 2418.39 2449.34 2450.54 2555.69 2597.99 2612.58 2616.06 2622.55 2911.59 3718.31 4609.35 4615.99 4617.59 4629.29 4629.80 4660.19 4666.63 4674.90 4724.76 4724.81 4726.61 4740.56 4744.57 4776.84 4818.13 4838.46 4859.14 4875.03 4877.44 4888.12 4903.69 4907.94 5883.32 5903.25
0.478082
0.506388
0.507332
0.415572
-1803.036616
-1803.008310
-1803.007366
-1803.099126
3.077645D-04
MUNgauss
RevisionA2.0
retrievium
12-Jan-2021
DUDE CCOc1ccc(cc1)[C@]2(CSC3=C([C@@H](CC(=O)N32)c4ccc(c(c4)OCC)O)C#N)O C12275245
RHF
6-31G(d)
(6D,10F)
C1
452.140594
|X|Y|Z|
54.901977 36.964646 127.919994
63.792700
21
|36.858105|
|12.575154|36.858105|
|8.080510|13.541496|73.516695|
|5.232936|7.977981|25.182230|36.858105|
|4.089543|5.246425|14.587061|13.692861|36.858105|
|3.200608|3.978495|9.420605|7.926748|13.832824|36.858105|
|2.966710|3.766417|8.172446|6.798641|7.901401|13.693327|36.858105|
|3.337729|4.499678|9.252050|7.946035|6.928660|8.016104|13.765024|36.858105|
|4.397114|6.687743|13.991329|13.736054|7.952741|6.889332|7.866856|13.733807|36.858105|
|2.398562|2.904897|5.972282|4.400549|4.992121|7.483065|12.470727|7.521702|4.985962|36.858105|
|2.237791|2.686972|5.331896|3.774091|4.015627|5.263060|7.564368|6.255278|4.394444|12.357149|36.858105|
|1.874432|2.189257|4.220018|2.842887|2.979509|3.677718|4.712515|4.222119|3.242229|7.066825|10.525403|388.023441|
|1.933822|2.269900|4.392563|2.985555|3.140732|3.929143|5.132160|4.534772|3.421397|7.928569|7.456946|76.997854|36.858105|
|1.754247|2.025237|3.861007|2.551015|2.657019|3.189055|3.895594|3.585972|2.872101|5.219359|4.915871|49.268343|14.272228|36.858105|
|1.747449|2.003251|3.812053|2.490054|2.592484|3.049639|3.584043|3.331980|2.758849|4.408089|3.837657|32.559980|7.641023|12.562347|36.858105|
|1.656825|1.886444|3.531976|2.270530|2.319982|2.655786|3.085334|2.974724|2.524104|3.632678|3.311222|28.123201|5.840068|9.003482|17.574785|0.500000|
|2.000567|2.332259|4.463788|2.965751|3.059963|3.601537|4.311254|4.070890|3.333290|4.981324|4.003925|30.028488|6.870407|7.702879|12.389078|0.249311|36.858105|
|2.242656|2.666806|5.290376|3.680292|3.948433|5.003981|6.328160|5.401278|4.132311|7.617091|5.132296|34.301084|7.873279|6.712427|7.460890|0.154307|12.607759|36.858105|
|2.437022|2.899711|5.918745|4.155642|4.638423|5.893773|6.696436|5.485417|4.427346|6.755977|4.465012|27.903090|5.457453|4.778297|5.344142|0.119546|8.004324|16.059020|73.516695|
|2.214223|2.653376|5.265747|3.727261|3.999247|5.308844|7.621366|6.153225|4.318587|13.056120|8.037753|51.823174|13.640503|7.905756|6.535577|0.139146|7.799298|13.612001|14.929202|53.358707|
|1.622264|1.828715|3.510150|2.260587|2.408990|2.821665|3.144010|2.837860|2.417819|3.807693|3.285667|27.191997|5.527561|7.494567|12.486673|0.249753|7.454589|5.798165|8.461647|6.845766|36.858105|
|1.633032|1.834640|3.579485|2.314889|2.538435|3.035162|3.294697|2.849799|2.424515|4.088194|3.441252|27.829483|5.351002|6.242620|7.472647|0.156144|5.793012|5.575191|8.640720|6.891216|13.775357|36.858105|
|1.509608|1.669720|3.253290|2.064865|2.273913|2.653809|2.769618|2.418213|2.118246|3.278694|2.832935|22.279668|3.883269|4.339370|4.982378|0.117038|4.206710|4.102494|6.868142|5.121014|7.910786|13.716440|36.858105|
|1.402563|1.537813|2.959088|1.850555|2.003648|2.277707|2.370584|2.130439|1.899849|2.716007|2.403116|18.891369|3.233054|3.705579|4.414840|0.111645|3.735910|3.440956|5.807227|4.240944|6.827393|7.939456|13.844585|36.858105|
|1.394445|1.532852|2.916381|1.820338|1.935574|2.180096|2.309514|2.123074|1.894594|2.625364|2.345666|18.673881|3.268622|3.923987|5.018062|0.134865|4.087653|3.487903|5.744497|4.225720|7.894734|6.884828|7.954191|13.643109|36.858105|
|1.489874|1.657249|3.144293|1.984574|2.091110|2.377247|2.587957|2.396504|2.103666|2.988398|2.656060|21.574993|4.004276|5.152643|7.568821|0.207593|5.485193|4.263362|6.666950|5.064665|13.644215|7.966874|6.897511|7.929210|13.814011|36.858105|
|1.289751|1.404141|2.648751|1.631505|1.719640|1.901677|1.995658|1.863148|1.690577|2.217167|2.014766|15.859106|2.678140|3.140643|3.846642|0.108581|3.295944|2.843374|4.775148|3.485975|5.159913|4.623276|5.311381|8.231018|14.030627|7.821433|73.516695|
|1.254325|1.364137|2.545667|1.559875|1.620738|1.773973|1.876781|1.785417|1.629441|2.062713|1.899096|14.980129|2.516950|2.974772|3.649155|0.109159|3.154530|2.649430|4.415407|3.258443|4.462867|3.777762|3.979804|5.250525|7.945829|6.627992|24.063894|36.858105|
|1.152418|1.241271|2.306729|1.398502|1.449915|1.568534|1.640592|1.568254|1.449701|1.778586|1.653167|12.879520|2.100302|2.410962|2.828481|0.083431|2.532791|2.200273|3.732324|2.742699|3.317238|2.975148|3.204129|4.095934|5.213031|4.371851|14.345838|12.575543|36.858105|
|1.306827|1.417210|2.721948|1.681378|1.821688|2.039726|2.084107|1.883130|1.706295|2.338123|2.097860|16.216433|2.659926|2.952401|3.363955|0.087295|2.975499|2.814928|4.875284|3.526983|4.603406|5.248977|8.076397|14.131712|7.994108|5.239602|12.819424|4.709318|4.079162|73.516695|
|1.572028|1.790269|3.371177|2.181724|2.253813|2.635722|3.119273|2.936420|2.432024|3.990288|4.112128|44.221272|7.945385|13.288143|7.525380|0.198517|5.040163|4.460126|6.253515|6.987917|5.865532|5.034516|3.860340|3.441108|3.677428|4.636675|5.406238|2.931291|2.403131|4.997989|36.858105|
|1.448913|1.634027|3.053256|1.948722|2.003087|2.302125|2.667921|2.542779|2.154614|3.297642|3.496778|36.336624|5.526752|7.408509|5.382210|0.152763|3.919464|3.521839|5.168877|5.397797|4.668160|4.135787|3.404533|3.137919|3.355974|4.040929|5.110173|2.812649|2.348923|4.688635|16.740543|53.358707|
|2.196707|2.575431|5.353528|3.779269|4.569741|6.821528|7.822323|5.120989|3.923048|13.641918|7.920598|42.257369|6.411910|4.716509|4.116609|0.093416|4.381755|6.314108|10.837562|11.389538|3.899977|4.569084|3.741018|2.975440|2.760796|3.047776|4.104684|2.097900|1.814694|4.576232|3.747559|4.291922|73.516695|
|17.578158|8.863961|12.949821|4.876312|4.002478|3.131478|2.856622|3.137268|4.018004|2.328936|2.196567|13.031151|1.862266|1.683847|1.663464|0.043700|1.880771|2.117257|4.073114|2.882390|1.554791|1.577908|1.465608|1.358082|1.341990|1.426548|2.207168|1.203210|1.108256|2.258853|1.518107|1.911635|3.840163|0.500000|
|17.579790|8.865403|12.947444|4.887922|4.022820|3.144960|2.862440|3.140066|4.019828|2.329890|2.135899|12.852091|1.890036|1.727460|1.742054|0.045848|2.003609|2.240272|4.391259|2.956220|1.630997|1.644450|1.528864|1.424686|1.414605|1.504672|2.330947|1.273157|1.171811|2.366586|1.543246|1.933563|3.843934|0.300952|0.500000|
|17.554730|8.876782|10.249192|4.238211|3.386390|2.773189|2.644513|3.002692|3.842161|2.188870|2.072383|12.547456|1.816028|1.661611|1.656206|0.044005|1.884454|2.075418|3.953666|2.791766|1.533277|1.531647|1.417772|1.326138|1.326087|1.417708|2.191956|1.206451|1.111997|2.199916|1.500936|1.892806|3.554030|0.300429|0.300412|0.500000|
|8.847955|17.542815|16.528699|7.071265|4.769360|3.798783|3.736305|4.598204|6.775317|2.915480|2.789448|16.038258|2.287975|2.028156|1.974036|0.051792|2.269836|2.584488|4.875472|3.592749|1.788706|1.790928|1.624001|1.494033|1.491360|1.617174|2.428007|1.329834|1.209874|2.445146|1.807188|2.253775|4.535348|0.212138|0.173414|0.212611|0.500000|
|8.846261|17.546718|16.533356|7.110274|4.805854|3.824115|3.750244|4.607899|6.785710|2.917870|2.668574|15.709380|2.340325|2.105932|2.109569|0.055484|2.496445|2.818931|5.452380|3.739412|1.907835|1.890302|1.711590|1.584308|1.593158|1.733943|2.596041|1.426276|1.294070|2.583810|1.850176|2.290090|4.542422|0.173386|0.212184|0.212494|0.300915|0.500000|
|4.115450|4.864278|13.489133|8.962156|17.739993|8.911263|5.623912|4.982798|5.667433|4.068762|3.373544|18.584990|2.736968|2.369695|2.337175|0.058494|2.709850|3.388100|7.087937|4.586781|2.222104|2.362190|2.163296|1.918111|1.838365|1.956129|2.926427|1.546573|1.395026|3.140709|2.041119|2.494161|7.066297|0.115184|0.116134|0.093208|0.119810|0.120928|0.500000|
|2.814917|3.333601|7.637828|5.660889|9.014665|17.761077|8.897364|5.677524|4.965282|6.921629|4.870221|25.465536|3.820883|3.146094|3.023498|0.072462|3.471559|4.780451|10.098628|6.811806|2.899573|3.231561|2.868228|2.420177|2.267405|2.435073|3.497549|1.810387|1.602397|3.871262|2.616484|3.119235|13.921873|0.077496|0.078010|0.068398|0.088281|0.089069|0.216474|0.500000|
|2.986569|3.913835|7.476782|5.670671|4.980522|5.668533|8.908964|17.707202|9.000988|6.963427|6.570547|33.160665|5.013239|3.935668|3.564352|0.089622|4.321090|5.418420|8.952524|8.799707|2.922666|2.857322|2.395634|2.127103|2.151605|2.465944|3.358322|1.828490|1.598871|3.321499|3.222758|3.778756|8.269436|0.077744|0.077801|0.076848|0.113919|0.114110|0.108028|0.124234|0.500000|
|4.664792|7.390750|12.461599|8.863683|5.638465|4.964800|5.636225|8.960812|17.766409|4.089472|3.815076|21.073891|3.102565|2.669440|2.574926|0.066810|3.079987|3.616909|6.697010|5.096686|2.242620|2.212509|1.944486|1.768317|1.781904|1.980582|2.853803|1.563609|1.397418|2.834110|2.301290|2.804120|5.837060|0.114757|0.114619|0.117757|0.225950|0.224890|0.124200|0.107808|0.219370|0.500000|
|2.188221|2.589071|5.184544|3.604043|3.934507|5.083349|6.433683|5.238121|3.990853|8.783232|17.624972|56.374232|5.523064|4.019285|3.249511|0.078992|3.333686|4.163828|6.791118|7.896342|2.912855|3.126747|2.660136|2.258226|2.171050|2.402373|3.345249|1.764944|1.553323|3.562761|3.539296|4.245637|13.335403|0.060601|0.057877|0.056100|0.074991|0.070014|0.094011|0.136013|0.143552|0.096371|0.500000|
|2.383134|2.913718|5.661412|4.022154|4.025905|4.965049|7.288219|7.278385|4.986634|8.737203|17.685648|56.470223|6.167101|4.377412|3.525783|0.087177|3.777342|4.660286|7.308414|9.128843|2.961570|3.003577|2.508111|2.179322|2.160979|2.452672|3.345495|1.798764|1.574469|3.406519|3.745219|4.416565|10.196727|0.064655|0.062308|0.061662|0.085875|0.080600|0.092604|0.120801|0.235882|0.123054|0.302119|0.500000|
|1.972944|2.270592|4.340963|2.829303|2.929388|3.355960|3.803691|3.602468|3.090357|4.147054|3.348074|24.453729|5.019999|5.568039|8.735087|0.204751|17.641679|9.058636|13.573036|7.789304|7.065979|5.528364|4.265068|3.929347|4.383326|5.788403|6.330766|3.407442|2.717348|5.572028|4.090468|4.553288|6.812145|0.051315|0.055566|0.051643|0.060548|0.067911|0.073430|0.091002|0.102889|0.079759|0.080125|0.088350|0.500000|
|2.061337|2.425114|4.545530|3.009095|2.991295|3.427835|4.196137|4.256840|3.499112|4.631996|3.930367|29.204278|6.276750|6.798308|8.849355|0.227094|17.513560|9.087332|11.490918|9.400103|5.511340|4.421585|3.416694|3.127167|3.449803|4.486812|5.166913|2.875255|2.353014|4.572649|4.787096|5.185296|6.882615|0.053420|0.056932|0.054386|0.066061|0.073087|0.072940|0.089022|0.131940|0.092217|0.089936|0.107945|0.300886|0.500000|
|1.731785|1.962439|3.875785|2.548143|2.843187|3.518626|3.864842|3.212928|2.670644|5.100780|4.138869|33.163684|6.474279|6.724099|6.867505|0.140078|5.769897|6.379023|9.727647|8.498566|8.893791|17.724944|8.967398|5.667731|4.959116|5.644076|6.520662|3.121248|2.548241|7.557978|5.149616|5.637597|10.810594|0.046658|0.048220|0.044844|0.053385|0.055769|0.072763|0.105739|0.088590|0.066651|0.104085|0.096642|0.144148|0.123663|0.500000|
|1.496208|1.646341|3.231249|2.044635|2.283480|2.668685|2.721571|2.344731|2.067910|3.201420|2.774345|21.332952|3.543802|3.758666|4.057181|0.096515|3.598279|3.704076|6.399385|4.757420|5.628012|8.866049|17.737160|9.017125|5.665852|4.966397|7.650776|3.334481|2.818332|13.157733|3.395339|4.149250|6.757542|0.040605|0.042126|0.038897|0.044460|0.046486|0.061015|0.081845|0.063702|0.052453|0.073999|0.067729|0.100521|0.083226|0.215481|0.500000|
|1.463967|1.627133|3.051783|1.914314|1.984751|2.225224|2.439339|2.314236|2.047236|2.766204|2.502218|20.315394|3.723301|4.824750|7.085870|0.232328|5.302480|3.931726|6.129611|4.691153|8.912926|5.665616|4.966794|5.642108|8.948933|17.743729|12.483101|7.366502|4.654423|7.513462|4.482819|5.434662|4.873434|0.038784|0.041017|0.038931|0.044193|0.047589|0.051464|0.062369|0.066976|0.054202|0.062588|0.065407|0.156549|0.128050|0.124109|0.107787|0.500000|
|1.241502|1.354896|2.520761|1.549379|1.602901|1.760886|1.883883|1.799682|1.632002|2.092142|1.953812|15.730065|2.634518|3.183859|3.849617|0.118998|3.195111|2.654971|4.337844|3.327769|4.587758|3.774984|3.836774|4.824194|7.123265|6.741427|16.553440|17.553734|8.841629|7.491585|3.244623|4.315954|3.753560|0.033110|0.034827|0.033233|0.036897|0.039322|0.042267|0.049696|0.051675|0.043625|0.050273|0.051462|0.093012|0.081873|0.087270|0.089224|0.223282|0.500000|
|1.314404|1.432400|2.666272|1.633425|1.688142|1.840111|1.950850|1.869438|1.710974|2.121779|1.934673|15.075882|2.572944|3.032735|3.847354|0.116949|3.438151|2.815589|4.710531|3.384907|4.550549|3.732609|3.787542|4.757936|7.044400|6.708552|16.549052|17.548789|8.848361|7.397612|2.908280|3.731427|3.789865|0.034848|0.037150|0.035142|0.038650|0.041869|0.044634|0.051815|0.053240|0.045717|0.049598|0.051226|0.106414|0.087458|0.086346|0.088134|0.225723|0.300821|0.500000|
|1.155437|1.239427|2.307493|1.393437|1.448706|1.559749|1.615809|1.541386|1.433954|1.735391|1.600139|12.282567|2.000440|2.259602|2.652644|0.076852|2.440414|2.148682|3.703159|2.654659|3.114451|2.858663|3.129176|4.000838|4.849794|3.995269|12.927308|8.860012|17.574195|7.352992|2.213900|2.917354|3.162911|0.030858|0.032775|0.030934|0.033413|0.035890|0.038923|0.044396|0.043346|0.038337|0.041901|0.042339|0.073747|0.062752|0.068426|0.077518|0.114652|0.173305|0.212105|0.500000|
|1.104815|1.188007|2.210812|1.339885|1.393409|1.510201|1.576747|1.501289|1.386255|1.718590|1.610540|12.625848|2.028476|2.319545|2.652742|0.077415|2.348238|2.074113|3.512614|2.626134|3.124956|2.875960|3.154387|4.035989|4.871002|4.000321|12.912969|8.860840|17.575379|7.436263|2.351501|3.172080|3.140641|0.029627|0.031142|0.029604|0.032257|0.034242|0.037313|0.043028|0.042482|0.037073|0.042295|0.042464|0.068801|0.060581|0.068850|0.078198|0.114307|0.212127|0.173374|0.300667|0.500000|
|1.122947|1.207641|2.229541|1.346556|1.385118|1.489312|1.562686|1.508816|1.400949|1.683146|1.576200|12.265217|1.987379|2.275949|2.648292|0.079499|2.395098|2.071138|3.506518|2.592790|2.987041|2.650625|2.775246|3.390305|4.227946|3.822612|10.242819|8.879637|17.557540|5.908478|2.284770|3.063294|3.020196|0.029951|0.031682|0.030219|0.032751|0.035056|0.036976|0.041977|0.042929|0.037748|0.041088|0.042022|0.071068|0.062948|0.064159|0.068455|0.117454|0.212313|0.212659|0.300596|0.300630|0.500000|
|1.253920|1.355144|2.584203|1.586559|1.702547|1.886709|1.933084|1.769839|1.614272|2.145888|1.943063|15.032045|2.455856|2.747334|3.155792|0.084205|2.800099|2.597561|4.490967|3.247001|4.195751|4.447628|6.066535|10.110065|7.985598|5.071694|15.937100|5.506983|4.936591|35.681654|2.650304|3.424738|4.124118|0.033805|0.035503|0.033116|0.036541|0.038718|0.045884|0.055401|0.049015|0.042189|0.051451|0.049802|0.082602|0.068245|0.101340|0.151364|0.118671|0.131155|0.129565|0.141088|0.142934|0.107155|0.500000|
|2.223826|2.589884|5.443929|3.814627|4.736543|7.017304|7.202261|4.817329|3.837853|9.798555|7.353216|37.256749|5.058887|3.893730|3.424419|0.080252|3.609841|4.875254|8.697703|8.303977|3.290729|3.818934|3.285385|2.666975|2.462812|2.665181|3.728833|1.912552|1.677132|4.201803|3.261283|3.850244|35.723243|0.061553|0.060522|0.055942|0.071673|0.070073|0.116537|0.237363|0.118993|0.089005|0.227194|0.152098|0.089866|0.091111|0.134588|0.094824|0.067206|0.053407|0.053762|0.045808|0.045572|0.043734|0.059399|0.500000|
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