Version2.3
2021-03-30T15:07:13Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
17-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C[C@@]12CC[C@H]([C@@]([C@H]1Cc3c(nc(s3)Nc4ccccc4)[C@H]2CC(=O)NCC#C)(C)CO)O C03841625
RHF
6-31G(d)
(6D,7F)
C[C@@]12CC[C@H]([C@@]([C@H]1Cc3c(nc(s3)Nc4ccccc4)[C@H]2CC(=O)NCC#C)(C)CO)O
C01[X(C25H31N3O3S1)]
183
C1
546
C#CCNC(=O)C[C@@H]1c2nc(sc2C[C@H]2[C@@]1(C)CC[C@H]([C@@]2(C)CO)O)Nc1ccccc1
C#CCNC(=O)C[C@@H]1c2nc(sc2C[C@H]2[C@@]1(C)CC[C@H]([C@@]2(C)CO)O)Nc1ccccc1
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)NCC#C)c3nc(Nc4ccccc4)sc3C[C@H]12
InChIKey=SWUQAVJPVVLIME-IGDHQNPBSA-N
InChI=1S/C25H31N3O3S/c1-4-12-26-21(31)13-17-22-18(32-23(28-22)27-16-8-6-5-7-9-16)14-19-24(17,2)11-10-20(30)25(19,3)15-29/h1,5-9,17,19-20,29-30H,10-15H2,2-3H3,(H,26,31)(H,27,28)/t17-,19+,20-,24+,25+/m1/s1
InChI=1/C25H31N3O3S/c1-4-12-26-21(31)13-17-22-18(32-23(28-22)27-16-8-6-5-7-9-16)14-19-24(17,2)11-10-20(30)25(19,3)15-29/h1,5-9,17,19-20,29-30H,10-15H2,2-3H3,(H,26,31)(H,27,28)/t17-,19+,20-,24+,25+/m1/s1/f/h26-27H
C[C@@]12CC[C@H]([C@@]([C@H]1Cc3c(nc(s3)Nc4ccccc4)[C@H]2CC(=O)NCC#C)(C)CO)O
C01[X(C25H31N3O3S1)]
183
C01
546
C#CCNC(=O)C[C@@H]1c2nc(sc2C[C@H]2[C@@]1(C)CC[C@H]([C@@]2(C)CO)O)Nc1ccccc1
C#CCNC(=O)C[C@@H]1C2=C(C[C@H]3[C@@]1(C)CC[C@H]([C@@]3(C)CO)O)S[C]([N]2)N[C]1[CH][CH][CH][CH][CH]1
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)NCC#C)C3=C(C[C@H]12)S[C]([N]3)N[C]4[CH][CH][CH][CH][CH]4
InChIKey=SWUQAVJPVVLIME-IGDHQNPBSA-N
InChI=1S/C25H31N3O3S/c1-4-12-26-21(31)13-17-22-18(32-23(28-22)27-16-8-6-5-7-9-16)14-19-24(17,2)11-10-20(30)25(19,3)15-29/h1,5-9,17,19-20,29-30H,10-15H2,2-3H3,(H,26,31)(H,27,28)/t17-,19+,20-,24+,25+/m1/s1
InChI=1/C25H31N3O3S/c1-4-12-26-21(31)13-17-22-18(32-23(28-22)27-16-8-6-5-7-9-16)14-19-24(17,2)11-10-20(30)25(19,3)15-29/h1,5-9,17,19-20,29-30H,10-15H2,2-3H3,(H,26,31)(H,27,28)/t17-,19+,20-,24+,25+/m1/s1/f/h26-27H
3494.4076482241
-1750.1328033
1-A
17718.2683
121
425
546
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11.37971
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4.0104
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-169.3400 -226.6868 -191.8544 13.8177 0.7006 -3.7672
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26.6204 -30.7264 4.1060 13.8177 0.7006 -3.7672
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
11.0228 17.4547 21.1508 31.2926 33.6658 44.3892 50.3947 57.9595 69.4001 84.6439 116.2830 135.0402 146.7715 156.3787 186.4186 190.7717 210.5393 215.0963 228.4464 250.6192 261.8166 272.7862 288.9590 294.6795 301.7960 302.6348 309.8870 311.1707 336.1920 350.3708 360.6213 371.8077 372.8974 377.2842 381.2385 401.8778 437.8319 445.8090 461.5177 463.8190 473.4184 500.6635 526.1670 532.3732 553.7714 586.3945 602.2109 609.2182 612.6804 645.6053 661.7209 674.9820 685.5856 694.7008 700.2724 725.2211 746.7443 754.0056 770.1230 787.7685 789.2857 798.5611 811.2001 819.3072 838.5190 855.1267 872.2301 910.8633 933.6367 951.0387 956.4479 963.6364 990.3871 997.7718 999.9541 1009.7412 1035.1973 1045.6921 1060.0788 1070.8788 1092.0275 1094.3416 1101.6362 1112.1001 1127.1781 1128.8648 1130.1834 1131.5717 1156.1842 1158.8664 1173.2390 1181.3991 1181.7084 1203.4507 1208.1916 1210.9904 1212.9951 1258.2748 1268.0682 1272.9896 1285.7046 1295.3876 1299.7369 1306.5050 1318.9642 1323.7556 1342.9922 1360.3389 1363.3473 1383.2992 1395.7028 1403.6741 1407.3402 1415.6037 1436.5203 1448.7234 1459.0101 1470.9121 1481.8369 1487.6253 1501.0605 1515.2161 1524.0927 1526.7902 1532.1255 1541.2785 1546.1206 1558.3235 1570.0179 1570.6352 1581.9926 1584.2427 1599.7848 1625.7104 1629.6586 1632.0248 1641.5028 1643.4086 1645.8498 1652.9315 1655.1370 1660.0043 1663.6747 1674.8901 1677.3857 1737.2196 1751.2181 1792.3270 1809.5285 1825.5823 1950.0362 2413.4591 3167.0931 3180.8793 3187.5958 3192.2261 3209.8184 3214.4557 3228.7146 3234.1019 3234.5911 3241.5802 3257.0151 3263.3235 3265.2012 3271.8918 3284.0857 3290.7162 3310.4650 3327.2060 3328.4094 3329.2528 3344.6843 3361.2505 3369.2120 3379.3514 3389.1470 3396.8921 3664.3316 3812.9474 3845.6729 4099.1425 4109.9955
5.4644 4.9147 4.5888 4.8153 5.6666 5.1196 5.0429 6.5867 4.6295 4.3951 5.4087 5.3309 3.1826 3.5663 2.1489 4.0713 4.4671 2.2696 3.4485 2.9595 2.6319 4.3103 1.5496 1.2671 2.7780 3.2902 2.3091 3.0964 2.7839 3.8102 3.2568 3.5257 2.9595 3.4089 3.8906 1.8263 2.6304 2.9737 2.9707 3.5246 3.4466 3.0158 3.2967 3.4136 1.8044 1.4162 3.1299 5.6440 4.3135 4.3859 3.7677 5.3874 3.8079 3.6135 3.9352 4.5460 2.9540 1.9199 2.6655 2.2879 1.3894 2.9796 4.2907 1.3150 4.6881 2.3995 2.3274 2.5776 2.3294 1.3220 2.5603 2.9847 4.0666 3.0696 2.2416 1.9774 1.6410 1.4774 1.9896 1.9078 5.0441 2.1710 1.3965 2.0281 1.3665 1.9618 2.1103 2.9501 2.4740 2.3808 2.3320 2.6454 1.6783 3.3556 4.2562 3.0439 2.6322 2.1224 3.1555 1.9038 1.7043 1.1491 2.1161 1.4716 1.8271 1.5354 1.5572 2.3624 1.4127 1.6260 1.4150 1.7553 1.1516 1.3888 1.6398 1.8189 3.0338 1.6648 1.5280 1.3974 1.5869 1.3780 1.3727 1.3004 1.4552 1.3759 1.5956 1.4266 1.3975 1.7686 1.3495 1.3018 1.2479 2.2232 1.0842 1.0889 1.0965 1.0811 1.0722 1.1012 1.0639 1.0594 1.0635 2.3816 1.0842 3.0035 2.0852 5.0557 5.3821 9.6175 8.1390 5.6878 1.0847 1.0835 1.0757 1.0794 1.0679 1.0530 1.0623 1.0709 1.0545 1.0619 1.0868 1.0997 1.0758 1.0894 1.0948 1.1018 1.0943 1.0940 1.0967 1.0976 1.0965 1.0873 1.0905 1.0937 1.0963 1.0984 1.1704 1.0803 1.0764 1.0659 1.0667
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0.1505 0.3022 0.2801 0.3836 1.8498 0.2033 0.4499 7.7548 1.6816 1.1460 0.7706 0.5178 1.7003 2.2221 3.2729 1.0667 0.2162 1.3180 3.2314 1.4128 0.7055 1.1790 10.1596 76.5258 8.4882 2.9360 14.7124 10.3128 2.5012 6.2834 2.1280 14.1193 0.5482 3.7962 18.6576 23.7915 88.2608 26.3650 0.7138 5.5307 3.0316 1.4327 3.6980 0.7669 50.8616 101.9732 6.3152 22.4212 21.6914 4.6694 9.5902 4.0402 23.6274 4.3381 41.8341 15.7140 14.4254 81.2501 11.1849 54.1309 28.3905 12.8937 31.6800 51.2409 20.2028 7.8799 17.7814 1.3433 3.6558 0.0644 0.9930 0.6874 9.9785 18.7535 5.5320 6.0712 2.3088 4.4671 1.0821 7.0867 0.8261 13.1412 0.0811 11.1875 0.2083 2.6118 11.3891 10.9362 5.3919 6.6679 1.6989 27.7235 2.3371 0.4121 167.0320 31.3846 1.5412 28.9935 6.2854 2.7320 54.1723 0.4446 17.1367 111.6783 4.1026 3.1885 17.4473 24.3874 51.9252 8.1771 11.5531 41.9786 3.9237 63.2763 90.8695 9.1934 196.7003 48.3465 9.1367 10.3595 5.3791 9.1981 4.1878 10.1957 31.7218 6.9342 20.1701 7.8019 4.3020 60.5774 30.3736 13.9257 40.8075 57.0970 12.6454 1.4222 17.9022 8.2242 8.2366 1.2679 3.4450 9.2775 1.9409 25.3458 3.2164 403.8610 726.0822 72.6217 17.2822 15.5140 353.6396 0.4944 24.9851 8.4770 45.8658 18.6850 32.6116 59.7076 42.8554 45.0401 8.0931 30.2124 24.9133 24.2002 9.6906 82.7987 38.5208 21.3061 36.5474 1.6453 18.3241 54.8309 20.7525 2.8516 2.1116 26.7217 31.9378 7.9726 45.9944 261.6854 54.8858 131.3725 39.3060
2.0730 5.3015 3.2454 2.1830 3.4386 1.2988 2.8667 1.3078 0.7774 0.4564 1.1957 1.1305 1.0325 0.8345 0.3793 3.4524 1.6857 0.8021 1.8246 2.0352 0.4189 4.5805 1.5058 2.3255 2.3027 1.3269 0.8734 2.9704 2.5440 0.4543 0.9866 3.1759 3.9824 1.0491 4.4921 4.5212 0.5264 1.2180 0.5882 4.1102 1.7723 1.2496 1.9975 1.1508 2.7477 1.2560 3.8169 2.4035 2.0070 2.1689 1.5753 4.5091 0.4188 4.2196 4.0767 6.1750 1.5612 1.8933 8.0601 7.8837 2.7106 0.3184 1.3656 3.8151 3.3873 0.8477 3.2030 2.0508 2.8617 3.5762 6.3631 8.8527 9.6317 3.1718 4.0961 4.9185 5.1592 3.1096 2.3632 6.9457 36.0865 8.2161 0.3925 5.9894 0.7279 10.9087 8.2898 1.0747 8.6163 2.2138 2.7727 2.7267 0.3404 6.2424 6.9115 3.7688 6.7742 4.3105 8.8944 3.9752 6.6174 4.5938 3.5190 4.4785 5.8456 4.0114 9.1184 16.2584 2.5836 3.6609 4.9046 24.4747 9.4223 3.0719 2.6118 6.8118 15.4533 2.7182 9.4029 4.6664 3.8391 9.0652 3.5774 5.3776 6.7674 5.0790 2.9045 3.7589 1.8520 45.5017 3.4078 2.2189 10.5504 16.4746 17.0427 11.9356 13.3352 8.7015 13.5651 11.4693 8.5002 7.2932 16.1614 10.3270 2.1828 29.0190 28.0864 12.1520 69.6739 35.0630 4.9543 73.6718 21.6306 14.5963 86.0980 32.7422 51.0380 139.9502 43.8784 133.5290 7.2738 152.1426 35.9860 33.4537 37.2407 74.5433 65.4997 43.3226 66.6142 53.6133 40.0740 97.5720 54.9104 27.5495 108.8360 71.0343 69.5905 249.1426 25.5257 101.1440 84.9536 54.3436 111.8195
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298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63
6 6 6 6 6 1 6 6 1 6 6 6 7 6 16 7 6 6 6 6 6 6 6 1 6 6 8 7 6 6 6 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 12.00000 12.00000 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 15.99491 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
10727.7317 22756.8105 30092.9100
0.99999 -0.00378 0.00152 0.00377 0.99999 0.00254 -0.00153 -0.00254 1.00000
1
0.00807 0.00381 0.00288
0.16823 0.07931 0.05997
15.86 25.11 30.43 45.02 48.44 63.87 72.51 83.39 99.85 121.78 167.31 194.29 211.17 224.99 268.21 274.48 302.92 309.48 328.68 360.59 376.70 392.48 415.75 423.98 434.22 435.42 445.86 447.71 483.71 504.11 518.85 534.95 536.52 542.83 548.52 578.21 629.94 641.42 664.02 667.33 681.14 720.34 757.04 765.97 796.75 843.69 866.45 876.53 881.51 928.88 952.07 971.15 986.40 999.52 1007.54 1043.43 1074.40 1084.85 1108.04 1133.42 1135.61 1148.95 1167.14 1178.80 1206.44 1230.34 1254.94 1310.53 1343.29 1368.33 1376.12 1386.46 1424.95 1435.57 1438.71 1452.79 1489.42 1504.52 1525.22 1540.76 1571.18 1574.51 1585.01 1600.06 1621.76 1624.18 1626.08 1628.08 1663.49 1667.35 1688.03 1699.77 1700.21 1731.50 1738.32 1742.35 1745.23 1810.38 1824.47 1831.55 1849.84 1863.77 1870.03 1879.77 1897.70 1904.59 1932.27 1957.22 1961.55 1990.26 2008.11 2019.57 2024.85 2036.74 2066.83 2084.39 2099.19 2116.31 2132.03 2140.36 2159.69 2180.06 2192.83 2196.71 2204.39 2217.56 2224.52 2242.08 2258.91 2259.79 2276.13 2279.37 2301.73 2339.03 2344.72 2348.12 2361.76 2364.50 2368.01 2378.20 2381.37 2388.38 2393.66 2409.79 2413.38 2499.47 2519.61 2578.76 2603.51 2626.61 2805.67 3472.43 4556.74 4576.58 4586.24 4592.90 4618.21 4624.88 4645.40 4653.15 4653.86 4663.91 4686.12 4695.19 4697.90 4707.52 4725.07 4734.61 4763.02 4787.11 4788.84 4790.05 4812.25 4836.09 4847.54 4862.13 4876.23 4887.37 5272.16 5485.98 5533.07 5897.75 5913.37
0.569614
0.598613
0.599557
0.506582
-1749.563189
-1749.534190
-1749.533246
-1749.626221
3.118397D-04
MUNgauss
RevisionA2.1
retrievium
30-Mar-2021
DUDE C[C@@]12CC[C@H]([C@@]([C@H]1Cc3c(nc(s3)Nc4ccccc4)[C@H]2CC(=O)NCC#C)(C)CO)O C03841625
RHF
6-31G(d)
(6D,10F)
C1
453.208614
|X|Y|Z|
70.923526 107.448853 33.806292
63.630189
20
|36.858105|
|12.363868|36.858105|
|7.514951|12.335072|36.858105|
|5.952882|7.409596|12.499545|36.858105|
|4.923998|6.307047|7.591641|12.519616|36.858105|
|4.235697|5.707539|7.004060|8.944188|17.483188|0.500000|
|5.624049|7.059522|6.284655|7.429766|12.335298|0.247092|36.858105|
|7.357948|12.147206|7.527475|6.503964|7.561644|0.191475|12.089420|36.858105|
|5.503745|9.009227|6.959488|5.826616|7.035979|0.211644|9.006699|17.505471|0.500000|
|6.249825|7.405798|4.866602|4.343063|4.863718|0.126434|7.344384|12.344765|0.250778|36.858105|
|5.729860|6.680008|4.422072|3.664300|3.808222|0.103390|4.881492|7.666642|0.195303|12.729485|36.858105|
|6.047065|7.502065|4.949823|3.771604|3.681811|0.101771|4.317471|6.699615|0.182275|7.549949|14.295699|36.858105|
|4.453915|4.975918|3.791530|3.006812|2.918451|0.081633|3.289352|4.512226|0.126864|5.087990|8.247536|13.722589|53.358707|
|3.780374|4.041613|3.151013|2.632120|2.628836|0.073237|3.026598|3.975906|0.110838|4.861572|7.820506|8.654685|20.240069|36.858105|
|3.929550|4.158103|3.151600|2.743226|2.858394|0.078503|3.497949|4.579601|0.123555|6.625507|10.869552|7.522683|10.110331|10.910341|388.023441|
|3.033506|3.163780|2.606598|2.226939|2.216370|0.061977|2.489672|3.097327|0.086919|3.631833|5.038687|5.436895|11.193658|13.986603|49.564881|53.358707|
|2.575562|2.659378|2.238340|1.969968|1.992599|0.055717|2.244413|2.692875|0.075566|3.188136|4.116507|4.084214|7.133182|7.701427|42.923963|18.259004|36.858105|
|2.490228|2.490205|2.093882|1.875851|1.900777|0.052462|2.160002|2.538679|0.069619|3.057237|3.789760|3.597005|5.837008|5.920604|39.900972|10.659212|13.731472|36.858105|
|2.138746|2.141518|1.839435|1.677637|1.713915|0.047404|1.934782|2.211846|0.060940|2.622565|3.085516|2.899442|4.498489|4.223065|30.412546|7.008390|7.936783|13.751282|36.858105|
|1.938391|1.977233|1.726527|1.579007|1.621196|0.045301|1.809668|2.052464|0.057507|2.383166|2.768225|2.636793|4.083300|3.720015|26.180152|6.179868|6.862673|7.928862|13.753883|36.858105|
|1.976835|2.057346|1.803750|1.632787|1.675518|0.047301|1.856459|2.129148|0.060653|2.440514|2.884741|2.809610|4.458153|4.060158|26.938533|7.008439|7.932651|6.874602|7.949088|13.746321|36.858105|
|2.246189|2.363475|2.043894|1.815820|1.851531|0.052408|2.056156|2.420272|0.069338|2.785168|3.443090|3.435397|5.756539|5.506293|32.995205|10.659295|13.723899|7.932515|6.880035|7.933328|13.760173|36.858105|
|7.478916|12.149794|7.596103|4.897560|4.414015|0.122371|4.784765|7.547441|0.207132|6.277182|7.622023|12.595514|10.267461|5.261076|33.820572|5.369428|3.131797|2.815521|2.362794|2.189772|2.327664|2.759950|36.858105|
|5.519921|8.905408|7.345158|4.817974|4.503066|0.133408|4.648553|6.958271|0.227726|5.510245|6.348094|9.085063|8.827463|4.742487|30.523155|5.021167|2.985781|2.639101|2.250035|2.128085|2.296128|2.718346|17.517495|0.500000|
|6.310457|7.271859|6.141341|4.154165|3.527905|0.096909|3.602813|4.820822|0.130414|4.286590|5.087043|7.488168|8.878225|4.578997|27.158976|5.070166|2.931908|2.645266|2.223939|2.061395|2.188340|2.586982|12.238798|0.246789|36.858105|
|4.261318|5.023948|4.892211|3.524129|3.072077|0.087824|3.026970|3.829903|0.110719|3.425725|4.008346|5.515369|7.494226|4.029659|23.213973|4.751061|2.779265|2.450315|2.090592|1.982745|2.145221|2.540248|7.471285|0.212285|12.535552|36.858105|
|3.793421|4.461442|4.865097|3.577533|3.050856|0.088213|2.876521|3.471048|0.101143|3.012098|3.338612|4.263931|5.611728|3.234371|19.582086|3.909173|2.375774|2.124789|1.850293|1.770949|1.908420|2.214796|5.736270|0.172790|8.011896|15.834211|73.516695|
|3.551072|4.071224|3.784049|2.907172|2.655476|0.076465|2.687389|3.375777|0.099002|3.201188|3.909610|5.347418|8.468766|4.538305|24.258900|5.578117|3.170565|2.700602|2.282048|2.184338|2.411900|2.923647|5.956672|0.172418|7.840709|14.074376|15.037323|53.358707|
|2.830915|3.225087|3.134882|2.520729|2.344216|0.068545|2.334897|2.817206|0.084059|2.674002|3.149898|3.972555|6.173819|3.673584|20.423771|4.788791|2.863005|2.430561|2.106511|2.065305|2.311958|2.762678|4.281675|0.130277|5.024529|7.791200|12.133509|17.966448|36.858105|
|2.624210|3.066769|2.968759|2.437384|2.343923|0.069918|2.348153|2.821162|0.086868|2.696502|3.163657|3.859465|5.925643|3.676811|20.871380|4.808578|2.946860|2.455848|2.152155|2.152831|2.460812|2.949960|3.994369|0.127944|4.161752|5.635377|9.132827|10.635929|12.891947|36.858105|
|2.420862|2.845225|2.752525|2.316456|2.286296|0.069023|2.301016|2.727668|0.085436|2.629658|3.042261|3.558302|5.346668|3.481444|20.472018|4.585325|2.909826|2.415158|2.148444|2.187099|2.533270|3.010042|3.577817|0.115925|3.509911|4.368489|7.257461|7.417831|7.149105|16.048079|36.858105|
|3.971850|4.793058|4.391538|4.913844|7.628648|0.203399|12.334525|7.541917|0.205706|6.242921|4.342865|3.719063|4.042296|2.836175|23.980072|3.232546|2.197730|2.115692|1.928010|1.826762|1.876320|2.052226|3.835409|0.108450|2.966345|2.614870|4.431835|3.277010|2.151025|2.224843|2.236796|36.858105|
|5.589335|5.568887|4.914765|5.983871|7.491716|0.152946|12.275278|7.235936|0.151537|6.099255|4.217786|3.686806|3.975205|2.753080|22.902297|3.140009|2.108757|2.083231|1.879520|1.737113|1.750155|1.913844|3.921232|0.100855|3.179254|2.642273|4.461531|3.220595|2.059964|2.037901|1.983805|7.610323|36.858105|
|3.988451|3.998846|3.790922|4.712023|6.043796|0.131935|7.710909|4.946043|0.116473|4.460680|3.320807|2.937914|3.308927|2.335083|19.317528|2.733990|1.874040|1.864406|1.714068|1.598195|1.602668|1.726025|3.073177|0.081496|2.588569|2.233066|3.828575|2.763635|1.808290|1.804493|1.774933|6.894803|13.622687|73.516695|
|3.859320|4.390819|5.068015|7.887549|13.453929|0.258905|7.934102|5.059172|0.132056|3.818191|3.058240|2.920315|3.285094|2.227339|17.306182|2.616624|1.761054|1.700538|1.555985|1.476914|1.514682|1.649317|3.336802|0.093746|2.824809|2.520060|4.500134|3.025286|2.004049|2.006884|1.972239|6.520581|6.813657|12.310407|73.516695|
|17.580999|8.750270|6.930889|5.345381|4.187224|0.102979|4.398859|5.396155|0.123850|4.699212|4.660843|5.272646|5.732574|3.516727|24.524701|3.957881|2.453998|2.365694|2.034687|1.849481|1.890208|2.147644|6.774598|0.141777|7.095364|4.634142|7.397661|5.079243|2.943108|2.643908|2.395736|3.293630|4.376278|5.966304|6.053012|0.500000|
|17.585054|8.705236|5.459297|4.551063|4.112739|0.101158|4.971490|6.623798|0.140379|6.936375|6.779140|6.727683|6.771313|4.346880|33.110629|4.646683|2.881485|2.828079|2.389740|2.126389|2.147753|2.451184|6.856498|0.139622|5.786288|3.974560|6.106312|4.747656|2.771953|2.582336|2.391759|3.761546|5.113184|6.662934|5.954976|0.303164|0.500000|
|17.633486|8.695348|6.731188|6.466095|5.342218|0.120168|6.113258|6.691097|0.137837|5.630074|4.723549|4.651169|4.905995|3.197640|24.457284|3.592089|2.306429|2.263836|1.980966|1.801339|1.821563|2.035939|5.432410|0.123163|4.718686|3.498492|5.762348|4.049040|2.459895|2.311178|2.162065|4.152920|6.979333|8.461026|7.726895|0.304791|0.303113|0.500000|
|5.513977|8.833406|17.519673|8.939613|6.925245|0.210801|5.584215|6.723174|0.203604|4.490143|4.227448|4.826190|5.159738|3.132503|21.880196|3.551936|2.241200|2.064328|1.819867|1.728666|1.827367|2.077810|7.362822|0.239718|5.865420|5.233159|9.602914|5.511325|3.430198|3.324818|3.101222|4.294072|4.179669|6.022908|8.387566|0.144299|0.123189|0.137167|0.500000|
|7.072723|8.761112|17.583347|8.889239|5.531402|0.143129|4.731727|5.471181|0.141509|4.029133|3.862691|4.461725|4.909750|2.976937|20.486216|3.419258|2.148437|2.014208|1.769073|1.658486|1.730287|1.958994|6.735685|0.173914|6.714053|5.330830|9.840014|5.344502|3.228765|2.944418|2.672014|3.531032|4.088646|5.822768|7.445645|0.215112|0.143162|0.173630|0.305626|0.500000|
|4.592259|5.449252|8.896106|17.496137|8.905450|0.216381|5.456903|4.859268|0.129633|3.514661|3.085328|3.220631|3.632379|2.347839|17.093596|2.757506|1.804047|1.714171|1.545157|1.465610|1.519639|1.681253|4.112550|0.116426|3.701031|3.315174|6.231171|3.727084|2.432939|2.352334|2.238964|4.116310|4.617707|7.075542|12.783595|0.122232|0.102178|0.135437|0.218357|0.216014|0.500000|
|6.441661|6.605774|8.770203|17.567015|8.861658|0.174462|6.696804|5.715275|0.134090|4.145849|3.478400|3.520284|3.870515|2.522675|18.858755|2.924056|1.910780|1.844661|1.652573|1.543801|1.580949|1.748309|4.385667|0.113982|3.879756|3.218331|5.736654|3.655058|2.321648|2.219055|2.101515|4.452929|6.579595|9.080505|12.748291|0.161893|0.134257|0.221348|0.173733|0.212407|0.304513|0.500000|
|4.652668|5.448429|4.069850|3.817036|4.523665|0.121623|6.786527|8.810314|0.221545|17.583610|8.970771|5.808255|5.940403|4.397562|44.708378|4.645955|3.118078|3.000420|2.634079|2.425751|2.482708|2.789733|4.888160|0.128898|3.541406|2.992235|4.764364|3.895861|2.468297|2.551316|2.547066|7.133765|5.581068|7.895107|6.585464|0.103403|0.139032|0.122484|0.108767|0.094629|0.088510|0.100309|0.500000|
|6.611125|6.432206|4.401459|4.111131|4.470645|0.111139|6.669581|8.697149|0.174521|17.568162|8.976120|6.052286|6.042148|4.358205|42.202759|4.593866|3.017370|3.001150|2.591097|2.315493|2.320324|2.605786|5.217213|0.123731|3.911383|3.094745|4.882732|3.925456|2.420412|2.398411|2.322935|5.503714|6.798531|8.604769|6.556909|0.135165|0.221882|0.176188|0.108576|0.105032|0.092582|0.115352|0.304773|0.500000|
|2.883217|3.032196|2.560414|2.168949|2.132404|0.060027|2.343412|2.894670|0.082154|3.249430|4.360488|5.003048|10.560771|9.628343|37.717729|26.011889|9.188181|5.950202|4.341525|4.031920|4.713844|7.022955|3.862039|0.102138|3.823423|3.753645|5.443836|6.338472|4.052846|4.018879|3.746442|2.224079|2.159188|3.355858|3.290144|0.078410|0.088060|0.069544|0.071957|0.069460|0.055372|0.057853|0.084509|0.083606|0.500000|
|2.709514|2.636334|2.187146|1.957999|1.968394|0.053714|2.252630|2.656435|0.071362|3.239302|4.024212|3.788447|6.045968|6.031753|41.944773|9.802588|8.933473|17.732916|8.895081|5.638534|4.954418|5.649272|2.948681|0.074979|2.788165|2.515524|3.860625|3.708775|2.401983|2.375868|2.302105|2.170766|2.206588|3.481865|3.127235|0.071498|0.087368|0.068240|0.059058|0.058677|0.049393|0.054001|0.086424|0.090597|0.153167|0.500000|
|2.050867|2.022599|1.744538|1.608050|1.642640|0.045127|1.855958|2.090742|0.057007|2.476116|2.835550|2.639672|3.984910|3.619182|27.032238|5.683733|5.649755|8.935861|17.721823|8.912501|5.648891|4.956013|2.187684|0.057554|2.067778|1.929241|3.059970|2.823538|1.913126|1.937498|1.927268|1.848633|1.831070|2.990181|2.674214|0.054234|0.063778|0.053330|0.047605|0.046713|0.041166|0.044338|0.069113|0.069252|0.100050|0.214912|0.500000|
|1.761664|1.791781|1.582174|1.461769|1.504712|0.042034|1.671067|1.865680|0.052240|2.144006|2.428422|2.308115|3.497585|3.084332|22.144896|4.919528|4.947000|5.641808|8.912164|17.722045|8.910158|5.643890|1.956579|0.053040|1.848013|1.784163|2.864696|2.650906|1.858895|1.938419|1.977633|1.697813|1.613703|2.667318|2.459454|0.046776|0.053305|0.045908|0.044002|0.042270|0.037863|0.039789|0.061008|0.058226|0.091502|0.123998|0.214723|0.500000|
|1.813895|1.901156|1.691749|1.539955|1.584341|0.044988|1.738222|1.971249|0.056617|2.219887|2.572176|2.522455|3.936051|3.440844|22.976020|5.683682|5.647035|4.953114|5.648719|8.908440|17.720741|8.935244|2.139195|0.059379|2.017721|2.007312|3.212060|3.069790|2.207778|2.383211|2.492400|1.770505|1.632639|2.679424|2.560131|0.048323|0.054091|0.046691|0.047929|0.045108|0.040082|0.041288|0.063145|0.058413|0.110850|0.107554|0.124116|0.214651|0.500000|
|2.229673|2.392373|2.092646|1.845074|1.878505|0.053727|2.061515|2.436661|0.071031|2.738230|3.384353|3.481872|5.899670|5.329179|30.505485|9.797776|8.924114|5.646739|4.955368|5.639600|8.901092|17.712392|2.843460|0.079482|2.672700|2.697664|4.182494|4.324531|3.076597|3.391673|3.528586|2.059406|1.890746|3.029570|2.961084|0.059478|0.066592|0.055918|0.059890|0.055722|0.047699|0.048902|0.076098|0.070001|0.202032|0.124330|0.107571|0.124022|0.215041|0.500000|
|5.917719|5.903547|4.776556|3.527268|3.080355|0.083514|3.243560|4.252719|0.112310|4.102930|5.092122|7.404527|9.972788|5.108726|28.810109|5.703731|3.211668|2.914808|2.405802|2.195935|2.314945|2.757334|8.723116|0.178651|17.597659|8.856352|10.716932|9.929233|4.712423|3.862126|3.269896|2.721191|2.975785|4.343545|4.511420|0.187655|0.166631|0.123796|0.124195|0.142707|0.087531|0.094854|0.094323|0.107483|0.119796|0.086897|0.062115|0.054316|0.058616|0.078057|0.500000|
|6.842322|7.231590|6.984540|4.633024|3.679382|0.098796|3.614210|4.580190|0.120248|3.911767|4.289167|5.615757|6.583151|3.706147|23.283021|4.236407|2.541811|2.346842|2.008130|1.863105|1.955978|2.265476|8.706724|0.191646|17.681807|9.171537|13.808729|7.965670|4.226433|3.534132|3.037981|2.901893|3.260532|4.718268|5.269532|0.244596|0.159224|0.144568|0.171878|0.248083|0.115717|0.122580|0.090347|0.102391|0.088029|0.069035|0.052515|0.046879|0.050416|0.064544|0.302937|0.500000|
|3.681124|4.172672|3.651779|2.835699|2.641509|0.075502|2.756157|3.536988|0.102997|3.500469|4.521877|6.458186|11.912313|5.882072|28.735726|7.099518|3.793715|3.145887|2.591244|2.458034|2.732793|3.409721|6.321001|0.173866|7.589608|9.470233|10.908232|25.958780|9.021928|6.932608|5.244727|2.484496|2.437118|3.697495|3.927046|0.105028|0.104096|0.084757|0.106282|0.102508|0.072901|0.073400|0.086513|0.087135|0.169014|0.088098|0.064651|0.060032|0.069911|0.102946|0.219124|0.150847|0.500000|
|2.566015|2.824975|2.716985|2.237465|2.089906|0.060472|2.099329|2.497510|0.073322|2.425375|2.858985|3.516075|5.642501|3.498255|19.248960|4.785585|2.888881|2.450690|2.130673|2.096755|2.353197|2.806319|3.630817|0.106042|4.270452|5.915665|9.330993|12.489359|17.566501|9.094388|5.994177|1.947148|1.886638|2.967205|3.224015|0.074453|0.070870|0.062485|0.080641|0.078085|0.060030|0.058135|0.062548|0.061924|0.115680|0.067008|0.053685|0.052443|0.062554|0.086932|0.118074|0.102114|0.211115|0.500000|
|2.736204|3.112786|3.163569|2.555444|2.340333|0.068637|2.275806|2.690557|0.080075|2.492353|2.841021|3.507385|5.154997|3.118849|18.120266|4.030761|2.473495|2.149835|1.888287|1.850757|2.045712|2.391319|3.965813|0.121521|4.742644|7.584207|14.341804|12.656035|17.654102|9.060625|5.958752|2.085048|2.010225|3.154004|3.575856|0.080035|0.072938|0.066792|0.097134|0.092380|0.069789|0.065133|0.063962|0.063119|0.092107|0.059421|0.048161|0.046745|0.054598|0.072922|0.119456|0.117312|0.179515|0.302714|0.500000|
|2.237680|2.623712|2.541429|2.188989|2.203988|0.066998|2.225457|2.593863|0.081841|2.520415|2.864769|3.226186|4.748985|3.214514|19.618427|4.262410|2.800182|2.335715|2.111863|2.182119|2.544743|2.972804|3.188746|0.102796|3.035557|3.592224|6.058331|5.772288|5.118927|8.489870|18.025792|2.212341|1.916301|3.081075|3.414095|0.060844|0.061586|0.056220|0.079417|0.067689|0.058900|0.055170|0.069206|0.061796|0.094560|0.061233|0.052619|0.055186|0.070681|0.097469|0.078997|0.074245|0.116578|0.126225|0.125645|0.500000|
|3.429351|3.975034|3.884646|4.602875|7.199798|0.191505|8.754960|5.493044|0.150895|4.651021|3.490326|3.091512|3.471549|2.443705|20.176960|2.849347|1.956849|1.894722|1.747724|1.665787|1.705412|1.844689|3.233864|0.091871|2.612727|2.345147|4.045647|2.938856|1.958152|2.022002|2.037718|17.644682|6.744699|13.165188|13.418816|0.081388|0.089443|0.101874|0.105951|0.089178|0.112075|0.117715|0.142639|0.120395|0.054909|0.053889|0.046837|0.043372|0.045025|0.051460|0.066792|0.072147|0.061245|0.049506|0.053256|0.056258|0.500000|
|3.767023|4.298532|3.748446|4.030919|5.516227|0.144707|8.694345|6.556945|0.171041|6.665089|4.499328|3.660911|4.033101|2.916955|25.849735|3.328186|2.297522|2.242473|2.053611|1.934117|1.966263|2.134896|3.566351|0.098425|2.789434|2.447245|4.092815|3.122986|2.049113|2.120401|2.137376|17.589016|7.143372|11.945814|8.870581|0.086582|0.103665|0.109180|0.100520|0.086594|0.095030|0.106166|0.237921|0.170387|0.062714|0.064057|0.054971|0.049983|0.051289|0.058802|0.072809|0.074998|0.066689|0.052075|0.054657|0.058933|0.304413|0.500000|
|3.688257|4.677245|4.348183|4.576677|6.738013|0.211720|8.738507|7.210718|0.237553|5.926553|4.433618|3.872051|4.233141|2.955212|24.586500|3.364306|2.281033|2.157041|1.963836|1.881996|1.959880|2.156789|3.986209|0.118231|3.035777|2.742883|4.651108|3.470449|2.299407|2.427763|2.475613|17.535817|5.510138|8.830839|9.765485|0.086726|0.097299|0.102636|0.125413|0.096840|0.109815|0.110623|0.193175|0.135456|0.064631|0.060676|0.051774|0.048456|0.051637|0.060847|0.076506|0.081005|0.073004|0.057324|0.061714|0.068645|0.301788|0.300945|0.500000|
|6.458994|5.800262|5.346843|6.801801|7.070592|0.141473|8.708273|6.327020|0.133975|5.200073|3.903040|3.578378|3.893523|2.652689|21.293408|3.046672|2.028218|2.005205|1.802768|1.661600|1.673313|1.833564|3.954372|0.099554|3.332690|2.726657|4.639987|3.263980|2.073891|2.016270|1.938860|5.527503|17.582238|16.638952|11.527476|0.141855|0.153843|0.258694|0.119563|0.127713|0.142582|0.242196|0.126212|0.162475|0.058717|0.059391|0.048883|0.042877|0.043349|0.050373|0.086560|0.098161|0.067978|0.052832|0.056663|0.051564|0.142278|0.142024|0.122679|0.500000|
|5.627102|5.276797|4.296697|4.723854|5.495733|0.123583|8.768295|6.902658|0.142925|7.116372|4.701039|3.896053|4.202574|2.977571|25.825941|3.370549|2.276363|2.280243|2.049543|1.871384|1.867362|2.039941|3.900732|0.098001|3.154793|2.594359|4.298088|3.217356|2.045950|2.023872|1.970797|6.627902|17.644179|17.114852|8.795509|0.120278|0.156765|0.187918|0.103121|0.102128|0.104864|0.142187|0.179426|0.256709|0.063437|0.067795|0.055726|0.048153|0.048003|0.055351|0.084240|0.088054|0.068730|0.052449|0.054832|0.052898|0.156124|0.200446|0.139676|0.304082|0.500000|
|3.734385|3.845220|3.870424|5.108152|6.795788|0.145210|7.289828|4.607400|0.112420|3.942797|3.037350|2.762656|3.133548|2.189052|17.687766|2.580166|1.764471|1.742053|1.605200|1.507764|1.520792|1.637923|2.964128|0.079958|2.524914|2.208656|3.842643|2.714387|1.789461|1.786942|1.758934|6.535682|9.938595|35.703543|16.685214|0.089390|0.094912|0.122635|0.096993|0.092875|0.123165|0.152319|0.108643|0.114157|0.049933|0.050540|0.043630|0.039394|0.039939|0.045226|0.065418|0.072640|0.056159|0.045734|0.049176|0.047748|0.214646|0.161527|0.135632|0.228922|0.190955|0.500000|
|3.474278|3.936821|4.791180|7.409570|9.764993|0.229686|5.882176|4.272072|0.115215|3.290621|2.743432|2.680371|3.068678|2.071553|15.776390|2.459449|1.655606|1.593469|1.462382|1.394865|1.434788|1.559950|3.098709|0.088224|2.698344|2.458023|4.474806|2.939021|1.968498|1.967497|1.931815|5.086358|5.164129|9.344621|35.750957|0.088025|0.083599|0.106720|0.127549|0.113955|0.220994|0.182945|0.088515|0.087965|0.048721|0.045637|0.039250|0.036377|0.038055|0.043954|0.067020|0.079444|0.058947|0.049456|0.055473|0.052243|0.160788|0.112652|0.127903|0.143851|0.111255|0.187726|0.500000|
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