#------------------------------------------------------------------------------
#$Date: 2017-01-21 04:01:02 +0200 (Sat, 21 Jan 2017) $
#$Revision: 190796 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/20/2242029.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2242029
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   24.6504
_cell_length_b                   10.4373
_cell_length_c                   8.3992
_exptl_crystal_F_000             1416.00
_reflns_d_resolution_high        0.7273
_cod_data_source_file            wm5350IIIsup4.hkl
_cod_data_source_block           III
_shelx_title                     ' gs16gs8 in Cmc2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            649.98
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
1 1 -11 2335.97 2601.97 237.26 o
3 1 -11 269.95 191.34 78.79 o
9 1 -11 2527.74 2933.93 446.59 o
0 2 -11 7250.91 6635.04 545.94 o
2 2 -11 3807.59 3351.28 271.01 o
4 2 -11 9771.99 8260.39 435.73 o
6 2 -11 6080.11 5820.47 390.17 o
8 2 -11 5050.22 4349.11 349.47 o
1 3 -11 1420.15 1771.95 314.34 o
3 3 -11 66.31 -90.89 126.28 o
5 3 -11 417.51 194.42 107.11 o
0 4 -11 2593.90 1748.21 316.66 o
0 0 -10 12030.59 12006.21 660.45 o
2 0 -10 7607.43 7967.42 378.14 o
4 0 -10 10281.00 10494.15 596.93 o
6 0 -10 7655.32 8355.46 422.53 o
8 0 -10 6730.18 6338.41 602.84 o
10 0 -10 8599.99 8745.33 741.51 o
12 0 -10 7045.37 7549.79 726.45 o
14 0 -10 6340.68 7895.54 786.75 o
1 1 -10 2221.64 1709.34 113.41 o
3 1 -10 6046.94 5898.50 348.06 o
5 1 -10 13557.17 14634.10 572.93 o
7 1 -10 2248.33 1992.46 214.35 o
9 1 -10 789.27 768.76 118.32 o
11 1 -10 2935.99 2561.74 221.57 o
13 1 -10 10461.10 10480.27 1226.28 o
15 1 -10 6305.32 5484.07 693.16 o
0 2 -10 1738.64 1472.26 172.93 o
2 2 -10 2177.54 1891.29 141.28 o
4 2 -10 3787.68 3991.94 297.57 o
6 2 -10 3366.52 2933.22 258.05 o
8 2 -10 3036.62 3146.72 276.69 o
10 2 -10 1698.81 1285.62 189.43 o
12 2 -10 1994.28 1786.27 482.06 o
14 2 -10 1232.73 1038.68 205.06 o
16 2 -10 2017.37 1587.30 404.64 o
1 3 -10 3549.75 3656.62 229.68 o
3 3 -10 2575.75 2629.29 198.32 o
5 3 -10 9917.45 10226.68 496.15 o
7 3 -10 760.75 891.60 155.01 o
9 3 -10 4274.66 4491.70 343.83 o
11 3 -10 2064.04 2014.04 236.85 o
13 3 -10 3292.96 2961.02 403.53 o
0 4 -10 917.77 691.29 180.03 o
2 4 -10 1824.11 1692.57 165.66 o
4 4 -10 13135.69 12654.39 479.27 o
6 4 -10 8184.30 9070.24 478.61 o
8 4 -10 79.07 7.47 75.87 o
10 4 -10 38.83 123.25 118.52 o
3 5 -10 1515.42 1778.11 318.57 o
5 5 -10 3054.57 3327.41 428.64 o
9 5 -10 968.30 853.04 214.96 o
11 5 -10 901.95 860.60 212.40 o
6 6 -10 678.05 403.04 146.75 o
8 6 -10 68.53 -57.66 95.31 o
3 7 -10 1448.03 1485.62 280.32 o
1 1 -9 13617.18 13872.50 284.27 o
3 1 -9 2117.29 2026.99 138.22 o
5 1 -9 3154.30 2697.00 156.40 o
7 1 -9 3192.23 3465.22 182.97 o
9 1 -9 15362.08 15417.19 358.59 o
11 1 -9 5740.69 6375.60 290.33 o
13 1 -9 836.37 633.75 94.39 o
15 1 -9 1304.44 1009.69 195.55 o
17 1 -9 7117.51 7542.21 633.32 o
0 2 -9 13163.17 14088.46 474.98 o
2 2 -9 2322.52 2304.24 158.77 o
4 2 -9 3025.37 3208.28 170.43 o
6 2 -9 185.70 205.53 55.16 o
8 2 -9 8714.98 9183.29 314.36 o
10 2 -9 6322.21 7092.46 288.46 o
12 2 -9 491.69 365.57 165.04 o
14 2 -9 868.22 847.84 112.00 o
16 2 -9 739.63 646.06 113.80 o
18 2 -9 6524.99 7164.33 502.05 o
20 2 -9 1688.01 1243.46 293.51 o
1 3 -9 12317.36 12390.13 382.09 o
3 3 -9 5529.09 5387.82 255.73 o
5 3 -9 2417.51 2696.84 183.17 o
7 3 -9 9426.17 9847.94 365.66 o
9 3 -9 13761.99 13306.74 403.40 o
11 3 -9 8313.79 7842.82 319.11 o
13 3 -9 1043.65 840.15 110.85 o
15 3 -9 2953.02 2381.87 219.21 o
17 3 -9 7828.36 6970.49 489.74 o
19 3 -9 9300.80 8898.91 915.55 o
0 4 -9 6646.87 6292.93 410.99 o
2 4 -9 4474.46 4785.12 206.52 o
4 4 -9 3961.47 3880.73 227.57 o
6 4 -9 3896.34 3597.78 222.65 o
8 4 -9 4790.44 4794.35 399.80 o
10 4 -9 5346.79 5383.58 290.58 o
12 4 -9 2272.06 2420.27 205.68 o
14 4 -9 2981.85 3070.33 234.31 o
16 4 -9 2226.80 1996.23 371.68 o
18 4 -9 4021.79 3329.86 563.04 o
1 5 -9 633.64 738.86 88.40 o
3 5 -9 1475.64 1475.48 124.91 o
5 5 -9 4178.94 4221.22 236.57 o
7 5 -9 1214.98 1526.01 159.56 o
9 5 -9 3361.28 4338.64 267.55 o
11 5 -9 42.71 1.10 74.64 o
13 5 -9 3954.23 3530.52 305.69 o
15 5 -9 1943.54 2258.46 349.10 o
0 6 -9 25110.38 25027.90 757.68 o
2 6 -9 9960.79 9542.59 322.45 o
4 6 -9 3601.49 3477.46 194.98 o
6 6 -9 4693.45 4571.29 325.50 o
8 6 -9 19754.17 21382.87 992.40 o
10 6 -9 14543.34 14639.38 864.10 o
12 6 -9 4785.85 4864.95 505.77 o
1 7 -9 1105.09 933.71 153.30 o
3 7 -9 1814.48 1820.74 207.59 o
5 7 -9 1342.85 1720.37 206.81 o
7 7 -9 1843.86 1616.31 294.67 o
9 7 -9 1370.00 1453.31 284.90 o
0 8 -9 558.97 754.24 202.38 o
2 8 -9 587.68 816.34 156.09 o
4 8 -9 1495.56 1296.67 187.04 o
0 0 -8 19079.80 20697.82 492.54 o
2 0 -8 3730.13 3436.54 143.41 o
4 0 -8 1711.53 2350.77 141.22 o
6 0 -8 998.38 1027.27 98.21 o
8 0 -8 15928.44 16169.82 535.13 o
10 0 -8 8883.19 9468.39 424.85 o
12 0 -8 536.26 637.80 125.35 o
14 0 -8 2358.71 2438.07 239.75 o
16 0 -8 2568.44 2789.75 274.24 o
18 0 -8 14588.49 15434.67 691.08 o
20 0 -8 1914.68 1551.46 345.98 o
1 1 -8 9362.36 9857.68 188.76 o
3 1 -8 21903.19 21268.20 293.09 o
5 1 -8 27364.93 27689.35 349.32 o
7 1 -8 13521.36 13318.94 334.82 o
9 1 -8 9544.16 9758.23 263.17 o
11 1 -8 7575.86 8254.36 286.57 o
13 1 -8 23797.61 25799.77 555.94 o
15 1 -8 13247.80 13494.13 413.99 o
17 1 -8 8456.96 7853.77 711.01 o
19 1 -8 5176.35 5349.69 421.75 o
21 1 -8 6388.05 6715.22 505.34 o
0 2 -8 2459.98 2729.17 167.80 o
2 2 -8 7001.94 7304.09 177.12 o
4 2 -8 5986.05 6541.66 193.06 o
6 2 -8 6676.81 6699.40 243.48 o
8 2 -8 4462.43 4709.10 179.47 o
10 2 -8 2833.28 3069.65 151.33 o
12 2 -8 4865.18 5421.44 299.36 o
14 2 -8 2905.94 3326.36 286.42 o
16 2 -8 3949.38 4376.88 296.55 o
18 2 -8 2282.13 2731.28 312.53 o
20 2 -8 1977.00 1935.79 219.24 o
22 2 -8 2420.39 2816.08 442.75 o
1 3 -8 8491.36 8266.33 199.64 o
3 3 -8 1557.87 1473.81 108.32 o
5 3 -8 771.21 919.57 82.83 o
7 3 -8 1932.42 2020.20 143.39 o
9 3 -8 12403.95 12369.90 475.81 o
11 3 -8 1549.59 1547.88 149.43 o
13 3 -8 952.58 1063.27 140.36 o
15 3 -8 11.81 -56.15 61.81 o
17 3 -8 6695.01 7567.28 438.11 o
19 3 -8 3828.34 3616.34 290.01 o
21 3 -8 265.39 189.59 115.99 o
0 4 -8 10911.47 10625.17 420.82 o
2 4 -8 5488.92 5249.86 233.97 o
4 4 -8 18935.71 19681.68 479.02 o
6 4 -8 10567.59 10810.17 338.88 o
8 4 -8 10474.69 9996.01 335.12 o
10 4 -8 5848.60 5862.68 263.94 o
12 4 -8 6355.68 7364.15 356.30 o
14 4 -8 12709.30 13882.60 605.53 o
16 4 -8 4040.23 4012.16 244.81 o
18 4 -8 5031.18 4887.04 280.96 o
20 4 -8 4612.13 4792.93 427.29 o
1 5 -8 1272.71 1247.41 108.79 o
3 5 -8 1955.84 2100.87 155.88 o
5 5 -8 4979.98 5170.05 250.66 o
7 5 -8 975.96 976.57 121.62 o
9 5 -8 1565.36 1606.47 154.17 o
11 5 -8 788.33 756.52 105.33 o
13 5 -8 2543.17 2847.21 257.58 o
15 5 -8 1636.78 1868.22 275.21 o
17 5 -8 346.67 114.91 111.23 o
19 5 -8 925.90 806.95 301.88 o
0 6 -8 512.35 448.85 104.43 o
2 6 -8 46.49 49.42 47.51 o
4 6 -8 658.92 858.79 99.51 o
6 6 -8 575.35 536.14 109.64 o
8 6 -8 1249.95 1299.86 144.97 o
10 6 -8 271.56 203.78 101.75 o
12 6 -8 115.48 104.55 76.35 o
14 6 -8 639.99 904.68 139.67 o
16 6 -8 307.76 195.58 124.89 o
18 6 -8 881.07 1459.58 352.42 o
1 7 -8 3213.51 3053.16 181.80 o
3 7 -8 1158.91 1231.74 120.38 o
5 7 -8 1330.54 1189.53 120.80 o
7 7 -8 2980.15 3016.26 271.02 o
9 7 -8 6816.04 7347.15 354.77 o
11 7 -8 728.39 788.69 122.72 o
13 7 -8 2235.62 2050.64 340.97 o
0 8 -8 4814.66 5006.93 342.91 o
2 8 -8 4839.16 5129.60 246.50 o
4 8 -8 13600.27 14044.56 416.77 o
6 8 -8 8657.30 8858.10 388.44 o
8 8 -8 3737.18 3514.00 431.92 o
10 8 -8 2882.05 3800.44 464.22 o
1 9 -8 1301.43 1294.70 185.74 o
3 9 -8 85.36 154.74 94.92 o
5 9 -8 592.70 324.23 133.40 o
1 1 -7 3878.59 4013.29 94.37 o
3 1 -7 6450.33 6163.08 125.57 o
5 1 -7 15531.13 16242.65 301.98 o
7 1 -7 5272.61 5546.46 176.71 o
9 1 -7 5697.47 5708.75 212.18 o
11 1 -7 2150.45 2263.11 140.80 o
13 1 -7 9523.43 10200.79 321.91 o
15 1 -7 5110.39 5323.10 245.70 o
17 1 -7 1022.02 1079.35 121.50 o
19 1 -7 3806.10 4528.48 280.14 o
21 1 -7 4473.74 4643.25 337.76 o
23 1 -7 3853.56 4499.96 350.10 o
25 1 -7 279.80 126.39 161.38 o
0 2 -7 75.24 71.55 25.79 o
2 2 -7 9734.02 10442.54 172.85 o
4 2 -7 47038.36 47266.45 466.38 o
6 2 -7 29434.07 29087.90 616.99 o
8 2 -7 464.01 566.36 50.80 o
10 2 -7 1104.90 1484.76 113.69 o
12 2 -7 21470.96 23711.19 501.15 o
14 2 -7 29592.27 29834.94 603.83 o
16 2 -7 8725.80 9193.82 341.37 o
18 2 -7 659.78 714.10 130.68 o
20 2 -7 3412.84 3568.57 287.82 o
22 2 -7 19205.06 17574.29 879.24 o
24 2 -7 10075.92 9234.66 839.27 o
1 3 -7 15731.45 15659.44 265.31 o
3 3 -7 5119.91 5321.94 123.51 o
5 3 -7 9554.48 9494.01 224.70 o
7 3 -7 5065.36 5535.67 183.20 o
9 3 -7 10956.64 11755.11 283.45 o
11 3 -7 8583.73 9160.44 262.08 o
13 3 -7 8357.75 9232.81 389.69 o
15 3 -7 4545.19 4781.31 334.86 o
17 3 -7 5305.23 5747.01 334.97 o
19 3 -7 3515.30 4397.31 306.04 o
21 3 -7 4860.92 4679.44 334.05 o
23 3 -7 2815.54 3131.21 402.62 o
0 4 -7 9299.05 10304.76 319.63 o
2 4 -7 3499.64 3800.68 136.35 o
4 4 -7 3332.92 3238.19 126.66 o
6 4 -7 1696.85 1681.67 121.81 o
8 4 -7 5078.86 5112.19 226.43 o
10 4 -7 5960.75 6006.74 255.27 o
12 4 -7 2754.12 2781.26 197.82 o
14 4 -7 1642.83 1948.50 200.90 o
16 4 -7 1686.30 2046.69 202.73 o
18 4 -7 3114.10 3415.07 267.41 o
20 4 -7 2415.07 2101.43 221.80 o
22 4 -7 1533.93 1598.02 254.89 o
1 5 -7 3790.19 3977.91 178.57 o
3 5 -7 25102.93 26043.28 489.17 o
5 5 -7 33301.95 33686.89 649.65 o
7 5 -7 9950.76 11157.96 490.13 o
9 5 -7 1000.93 987.70 110.21 o
11 5 -7 10956.40 10920.04 507.02 o
13 5 -7 27777.59 27613.15 780.00 o
15 5 -7 16568.96 17489.88 766.83 o
17 5 -7 976.07 833.40 180.40 o
19 5 -7 1657.13 1483.44 155.80 o
21 5 -7 10031.19 11689.59 1017.00 o
0 6 -7 13198.50 13634.67 501.07 o
2 6 -7 9801.50 10531.90 310.44 o
4 6 -7 13721.70 14403.33 424.77 o
6 6 -7 5777.99 6019.64 274.20 o
8 6 -7 11182.56 12779.16 429.83 o
10 6 -7 12158.08 13005.93 393.26 o
12 6 -7 6429.23 6306.85 281.88 o
14 6 -7 8305.58 8316.85 506.58 o
16 6 -7 3541.98 4259.64 315.93 o
18 6 -7 10210.31 9498.18 478.46 o
20 6 -7 2629.98 2528.58 471.66 o
1 7 -7 1171.54 954.83 102.16 o
3 7 -7 6436.46 6492.01 254.51 o
5 7 -7 6718.65 7205.37 463.20 o
7 7 -7 2976.75 3103.32 262.24 o
9 7 -7 164.04 313.67 110.88 o
11 7 -7 2939.27 2771.60 326.83 o
13 7 -7 6415.37 6657.50 521.51 o
15 7 -7 3838.74 3962.27 272.93 o
0 8 -7 4337.58 4724.32 318.46 o
2 8 -7 1768.12 1999.22 150.22 o
4 8 -7 6774.90 6677.70 271.72 o
6 8 -7 4264.68 4064.23 215.82 o
8 8 -7 1888.08 2181.13 239.26 o
10 8 -7 2063.78 2298.96 247.43 o
12 8 -7 2991.08 3029.94 234.17 o
14 8 -7 4815.82 4984.48 532.46 o
1 9 -7 2110.41 1862.03 151.44 o
3 9 -7 2051.59 2225.63 164.61 o
5 9 -7 8305.06 9208.04 337.68 o
7 9 -7 2163.61 2314.55 203.35 o
9 9 -7 2872.15 2868.24 398.92 o
0 10 -7 1783.90 1953.60 323.79 o
2 10 -7 625.66 612.74 135.60 o
4 10 -7 5877.95 6511.76 588.65 o
0 0 -6 139525.69 134786.47 2324.89 o
2 0 -6 55137.95 54774.92 605.30 o
4 0 -6 19584.46 20939.81 403.74 o
6 0 -6 24488.11 26600.91 615.34 o
8 0 -6 105035.95 110274.69 1649.84 o
10 0 -6 93783.05 93222.74 1505.58 o
12 0 -6 23303.17 23103.59 650.60 o
14 0 -6 3147.28 3782.20 271.13 o
16 0 -6 30011.77 32372.83 908.78 o
18 0 -6 71702.41 76198.34 1617.80 o
20 0 -6 29244.39 27255.82 953.69 o
22 0 -6 7693.53 7408.41 516.33 o
24 0 -6 4499.72 4359.99 423.02 o
26 0 -6 19724.00 16252.46 1229.69 o
28 0 -6 18316.73 18573.73 1341.53 o
1 1 -6 2459.07 2614.09 74.43 o
3 1 -6 8163.68 8650.85 151.82 o
5 1 -6 11408.76 12701.19 284.15 o
7 1 -6 1688.36 1614.45 101.63 o
9 1 -6 6399.85 7346.36 228.06 o
11 1 -6 19.77 89.69 67.30 o
13 1 -6 11398.26 12908.16 349.59 o
15 1 -6 2215.00 2691.72 170.88 o
17 1 -6 2710.25 2556.65 183.21 o
19 1 -6 3799.91 4874.94 339.44 o
21 1 -6 1302.55 1385.17 158.11 o
23 1 -6 4745.69 5371.98 321.27 o
25 1 -6 306.80 293.01 145.32 o
27 1 -6 1277.49 771.62 284.29 o
0 2 -6 6550.17 6381.90 154.97 o
2 2 -6 8262.66 8059.33 140.68 o
4 2 -6 5470.18 6107.74 138.88 o
6 2 -6 4893.55 5293.44 135.09 o
8 2 -6 3055.93 3181.71 147.26 o
10 2 -6 4957.19 4890.40 193.37 o
12 2 -6 6166.54 6431.47 237.29 o
14 2 -6 6270.21 6837.15 305.84 o
16 2 -6 1930.76 2078.88 157.30 o
18 2 -6 1984.44 1771.55 186.78 o
20 2 -6 1736.92 1669.50 165.34 o
22 2 -6 3587.07 3716.61 302.45 o
24 2 -6 2504.42 2681.95 272.60 o
26 2 -6 1145.97 1443.44 381.27 o
1 3 -6 55442.57 55359.23 518.86 o
3 3 -6 5283.55 5842.42 142.96 o
5 3 -6 10612.54 11412.07 200.85 o
7 3 -6 18864.33 18702.16 252.31 o
9 3 -6 51224.15 53995.55 1160.49 o
11 3 -6 20568.97 22849.58 463.33 o
13 3 -6 2487.29 2666.47 162.07 o
15 3 -6 6806.80 6566.77 272.87 o
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21 3 -6 4871.44 5018.64 334.28 o
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25 3 -6 4612.75 4545.14 438.35 o
0 4 -6 27275.83 27378.00 649.79 o
2 4 -6 13432.53 14786.42 192.69 o
4 4 -6 7895.77 9378.57 204.13 o
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12 4 -6 569.78 799.19 94.52 o
14 4 -6 3368.39 3825.86 247.54 o
16 4 -6 2318.97 2623.70 218.28 o
18 4 -6 14275.06 14424.10 532.50 o
20 4 -6 2497.71 2761.04 244.03 o
22 4 -6 1106.62 1051.82 162.50 o
24 4 -6 22.93 354.90 216.18 o
1 5 -6 11430.84 11774.79 200.97 o
3 5 -6 579.66 552.10 44.63 o
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9 5 -6 11607.76 12609.53 356.83 o
11 5 -6 2710.22 3012.35 179.80 o
13 5 -6 239.69 156.24 69.48 o
15 5 -6 477.05 334.21 72.26 o
17 5 -6 6449.53 6892.39 362.67 o
19 5 -6 3390.38 3621.72 275.82 o
21 5 -6 692.79 779.59 146.87 o
23 5 -6 73.87 221.23 130.71 o
0 6 -6 863.52 921.89 122.33 o
2 6 -6 249.95 260.06 51.70 o
4 6 -6 1784.60 1747.82 139.75 o
6 6 -6 1006.21 1052.40 111.49 o
8 6 -6 169.02 193.56 67.11 o
10 6 -6 550.94 575.65 84.20 o
12 6 -6 732.44 885.27 100.55 o
14 6 -6 1471.66 1357.10 155.60 o
16 6 -6 76.97 100.43 58.26 o
18 6 -6 423.91 395.07 88.60 o
20 6 -6 26.30 17.03 67.74 o
22 6 -6 582.77 648.58 261.76 o
1 7 -6 28728.21 29307.06 540.57 o
3 7 -6 1153.02 1395.19 112.20 o
5 7 -6 4570.17 4760.85 329.57 o
7 7 -6 7918.88 8320.45 328.66 o
9 7 -6 30127.38 31569.13 883.04 o
11 7 -6 9468.21 9970.37 388.52 o
13 7 -6 1520.52 1657.16 166.96 o
15 7 -6 2733.92 2985.87 228.08 o
17 7 -6 10766.85 10970.35 454.26 o
19 7 -6 11636.34 11195.96 482.11 o
0 8 -6 4075.28 4357.77 294.22 o
2 8 -6 905.75 947.43 102.50 o
4 8 -6 4516.65 4864.63 221.05 o
6 8 -6 895.22 853.93 115.51 o
8 8 -6 5729.15 6646.28 389.22 o
10 8 -6 3015.75 3274.48 279.59 o
12 8 -6 692.91 738.93 124.73 o
14 8 -6 5340.46 5443.87 329.71 o
16 8 -6 270.64 197.53 92.01 o
1 9 -6 8351.77 8798.07 309.77 o
3 9 -6 2797.50 2747.58 175.87 o
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