#------------------------------------------------------------------------------
#$Date: 2018-01-30 09:12:48 +0200 (Tue, 30 Jan 2018) $
#$Revision: 205874 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/23/2242352.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_2242352
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   6.9065
_cell_length_b                   6.9065
_cell_length_c                   12.7802
_exptl_crystal_F_000             558.00
_reflns_d_resolution_high        0.7418
_cod_data_source_file            gw2157Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' AVI1715FC in P3121'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            238.56
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'y, x, -z'
'-x+y, -x, z+2/3'
'-x, -x+y, -z+1/3'
'x-y, -y, -z+2/3'
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
0 1 0 11693.98 11435.91 44.04 o
1 1 0 29188.25 28392.53 141.18 o
-1 2 0 29026.64 28416.95 130.93 o
0 2 0 56139.05 57095.07 395.09 o
1 2 0 6528.33 6357.31 61.19 o
2 2 0 13807.29 14481.62 168.03 o
-1 3 0 6136.18 6037.50 64.12 o
0 3 0 283.92 450.18 20.00 o
1 3 0 24246.18 24794.04 145.80 o
2 3 0 554.48 573.63 27.33 o
3 3 0 28342.28 28764.27 478.08 o
-2 4 0 14094.04 14364.62 130.12 o
-1 4 0 24200.66 24780.20 146.31 o
0 4 0 3792.76 3999.65 73.30 o
1 4 0 10420.41 10567.70 119.01 o
2 4 0 4167.37 4229.53 67.90 o
3 4 0 1413.41 1320.67 61.92 o
4 4 0 4095.02 4311.17 165.87 o
-2 5 0 505.78 541.55 23.54 o
-1 5 0 10056.25 10296.50 167.31 o
0 5 0 5745.49 5866.87 94.85 o
1 5 0 17645.25 17811.67 221.07 o
2 5 0 5631.37 5741.91 126.60 o
3 5 0 8617.24 8526.24 137.23 o
-3 6 0 28573.29 28841.05 408.20 o
-2 6 0 3999.62 3965.22 69.55 o
-1 6 0 17919.65 18292.05 205.97 o
0 6 0 6.52 67.96 21.25 o
1 6 0 2536.18 2317.28 75.02 o
2 6 0 2582.94 2466.25 75.23 o
3 6 0 37.52 85.82 82.14 o
-3 7 0 1473.59 1407.50 52.53 o
-2 7 0 5604.90 5927.36 107.49 o
-1 7 0 2543.73 2498.23 88.14 o
0 7 0 9848.87 9664.98 230.61 o
-4 8 0 4381.96 4433.06 215.12 o
-3 8 0 8457.05 8459.78 218.88 o
-2 8 0 2442.30 2411.96 114.10 o
-4 9 0 1802.86 1754.89 103.26 o
-1 1 1 15520.22 15690.92 121.74 o
0 1 1 2559.98 2829.81 24.28 o
1 1 1 3222.22 3423.99 24.93 o
-3 2 1 1386.54 1546.79 24.86 o
-2 2 1 986.63 1124.65 16.43 o
-1 2 1 3480.40 3741.19 25.72 o
0 2 1 4268.69 4237.37 32.87 o
1 2 1 8541.76 8419.22 57.61 o
2 2 1 5241.32 5161.42 57.64 o
-5 3 1 5417.17 5076.88 63.41 o
-4 3 1 433.33 455.74 16.51 o
-3 3 1 13582.91 13435.66 127.48 o
-2 3 1 1601.59 1701.57 25.66 o
-1 3 1 8499.77 8367.86 87.65 o
0 3 1 363.80 392.11 16.32 o
1 3 1 910.72 899.28 20.67 o
2 3 1 2080.74 2005.09 38.27 o
3 3 1 1025.32 1045.85 39.98 o
-7 4 1 4776.67 4842.06 89.34 o
-6 4 1 1004.27 1031.80 32.92 o
-5 4 1 4735.73 4695.87 67.35 o
-4 4 1 240.86 207.94 17.09 o
-3 4 1 290.49 285.19 14.08 o
-2 4 1 5054.73 5171.75 54.81 o
-1 4 1 983.63 1003.65 30.78 o
0 4 1 6547.48 6468.67 88.66 o
1 4 1 1480.64 1423.98 28.74 o
2 4 1 4758.77 4647.16 74.95 o
3 4 1 240.81 272.87 21.03 o
4 4 1 714.91 739.19 44.44 o
-9 5 1 543.30 571.74 89.62 o
-8 5 1 873.06 857.06 45.53 o
-7 5 1 770.86 816.48 51.61 o
-6 5 1 2796.59 2761.45 69.29 o
-5 5 1 3458.61 3281.25 71.15 o
-4 5 1 4951.45 4985.88 90.68 o
-3 5 1 5288.99 4782.10 79.03 o
-2 5 1 2138.99 2243.78 47.84 o
-1 5 1 1385.94 1346.69 63.49 o
0 5 1 215.57 236.69 23.23 o
1 5 1 1270.39 1305.53 100.83 o
2 5 1 1637.53 1594.14 61.51 o
3 5 1 2748.44 2601.82 75.91 o
-9 6 1 2433.45 2504.01 165.63 o
-8 6 1 392.22 386.26 31.73 o
-7 6 1 3114.46 3145.30 83.74 o
-6 6 1 133.31 133.61 21.38 o
-5 6 1 2490.20 2560.94 91.28 o
-4 6 1 1108.79 1179.23 37.62 o
-3 6 1 1016.45 1085.76 42.78 o
-2 6 1 4848.53 4805.18 141.91 o
-1 6 1 1372.41 1473.91 46.93 o
0 6 1 5027.01 4978.58 98.24 o
1 6 1 604.34 632.58 39.66 o
2 6 1 1493.41 1585.79 105.69 o
-7 7 1 7.43 12.03 40.82 o
-6 7 1 3382.97 3432.20 103.81 o
-5 7 1 701.12 636.53 37.04 o
-4 7 1 4746.08 4765.35 107.65 o
-3 7 1 222.71 222.90 23.09 o
-2 7 1 1482.51 1603.62 56.26 o
-1 7 1 618.45 624.27 42.60 o
0 7 1 79.14 85.71 35.28 o
-6 8 1 336.71 402.83 66.79 o
-5 8 1 892.78 886.04 53.38 o
-4 8 1 746.67 719.38 51.11 o
-3 8 1 2855.67 3036.25 99.95 o
-2 8 1 1616.53 1618.27 91.82 o
-5 9 1 607.87 520.28 61.97 o
-4 9 1 1509.94 1546.44 207.94 o
-1 1 2 2134.40 1859.07 15.13 o
0 1 2 6642.38 5327.55 33.11 o
1 1 2 1109.90 829.80 13.76 o
-3 2 2 22491.93 23512.90 202.26 o
-2 2 2 152.10 83.79 7.07 o
-1 2 2 806.47 446.50 11.76 o
0 2 2 1294.53 1238.52 31.16 o
1 2 2 3220.90 3262.77 42.95 o
2 2 2 3379.51 3064.76 34.61 o
-5 3 2 1449.83 1389.32 34.71 o
-4 3 2 1023.42 1046.20 32.02 o
-3 3 2 945.99 1302.65 28.33 o
-2 3 2 22489.55 23693.21 159.74 o
-1 3 2 3566.06 3601.30 37.09 o
0 3 2 23508.00 23862.15 115.48 o
1 3 2 2919.69 3029.52 53.42 o
2 3 2 5290.73 5086.38 72.80 o
3 3 2 304.92 306.48 23.63 o
-7 4 2 79.72 89.48 17.43 o
-6 4 2 4535.07 4503.20 109.08 o
-5 4 2 2917.46 2870.53 48.76 o
-4 4 2 7758.69 7756.78 138.14 o
-3 4 2 943.80 864.21 23.50 o
-2 4 2 3753.81 3578.85 46.08 o
-1 4 2 2808.27 2941.17 53.69 o
0 4 2 168.03 274.04 15.53 o
1 4 2 2530.88 2373.10 38.17 o
2 4 2 1117.09 1052.31 52.20 o
3 4 2 2859.12 2770.68 88.55 o
4 4 2 447.50 439.40 47.57 o
-9 5 2 1418.14 1485.33 93.05 o
-8 5 2 1613.73 1509.15 53.09 o
-7 5 2 975.93 1008.81 35.99 o
-6 5 2 788.96 773.17 35.93 o
-5 5 2 91.81 111.86 16.51 o
-4 5 2 2362.07 2317.27 49.82 o
-3 5 2 1657.73 1659.82 32.69 o
-2 5 2 5371.39 5217.78 125.08 o
-1 5 2 2821.59 2668.49 101.16 o
0 5 2 4195.28 4358.58 76.65 o
1 5 2 483.19 474.61 70.38 o
2 5 2 924.50 846.78 65.97 o
3 5 2 120.28 150.69 26.84 o
4 5 2 1438.17 1412.51 133.69 o
-8 6 2 1394.62 1508.51 58.97 o
-7 6 2 613.29 615.75 32.03 o
-6 6 2 3529.10 3806.01 117.73 o
-5 6 2 917.54 976.35 79.56 o
-4 6 2 4147.03 4099.20 83.57 o
-3 6 2 273.08 265.62 22.57 o
-2 6 2 1081.58 1111.16 38.14 o
-1 6 2 697.23 756.98 36.99 o
0 6 2 43.46 79.59 22.67 o
1 6 2 1990.08 2176.82 73.24 o
2 6 2 693.02 745.89 48.04 o
-7 7 2 94.65 80.99 40.32 o
-6 7 2 531.12 614.76 45.92 o
-5 7 2 699.51 726.49 47.60 o
-4 7 2 54.59 70.69 28.02 o
-3 7 2 2966.54 3051.00 88.14 o
-2 7 2 1076.33 1083.58 48.49 o
-1 7 2 2392.16 2526.51 85.90 o
0 7 2 55.75 67.20 34.85 o
1 7 2 704.23 877.77 101.68 o
-7 8 2 1484.27 1751.19 101.59 o
-6 8 2 1279.80 1434.18 72.67 o
-5 8 2 1373.28 1336.71 73.37 o
-4 8 2 444.78 396.21 37.91 o
-3 8 2 85.03 110.98 37.36 o
-2 8 2 612.37 764.93 67.26 o
-6 9 2 151.18 196.28 89.68 o
-5 9 2 1397.59 1551.08 97.76 o
0 0 3 15368.39 15242.04 137.17 o
-1 1 3 123.58 124.68 4.84 o
0 1 3 497.53 505.62 8.00 o
1 1 3 3641.17 3545.33 29.43 o
-3 2 3 1680.60 1705.57 25.67 o
-2 2 3 9283.67 9408.25 76.35 o
-1 2 3 3963.55 3968.54 32.78 o
0 2 3 7053.21 7049.91 54.31 o
1 2 3 3104.74 3164.04 39.78 o
2 2 3 1349.15 1281.11 39.82 o
-5 3 3 1639.39 1571.68 72.64 o
-4 3 3 6757.44 6397.69 141.51 o
-3 3 3 109.34 120.85 8.91 o
-2 3 3 1653.84 1562.12 32.72 o
-1 3 3 2861.81 2810.25 39.83 o
0 3 3 287.85 318.84 12.90 o
1 3 3 7702.56 7290.78 95.09 o
2 3 3 471.52 471.42 28.47 o
3 3 3 4196.14 4209.85 113.19 o
-7 4 3 244.28 209.60 22.66 o
-6 4 3 1001.20 1038.34 34.01 o
-5 4 3 1181.12 1191.56 38.55 o
-4 4 3 528.87 499.16 18.61 o
-3 4 3 6780.45 6659.91 112.98 o
-2 4 3 1283.11 1229.17 28.48 o
-1 4 3 7932.51 7690.11 104.15 o
0 4 3 350.55 345.38 21.45 o
1 4 3 1643.92 1675.58 67.08 o
2 4 3 1311.85 1302.96 51.17 o
3 4 3 382.25 342.67 29.41 o
4 4 3 2411.12 2313.91 73.34 o
-9 5 3 496.45 623.94 89.28 o
-8 5 3 1193.28 1169.15 46.58 o
-7 5 3 2323.96 2360.65 54.77 o
-6 5 3 3367.73 3328.01 83.06 o
-5 5 3 4293.23 4266.57 76.64 o
-4 5 3 1334.19 1213.47 43.38 o
-3 5 3 1566.10 1573.73 40.66 o
-2 5 3 457.35 459.95 26.65 o
-1 5 3 1600.25 1713.41 48.49 o
0 5 3 3263.65 3164.37 85.82 o
1 5 3 3287.14 3207.57 94.03 o
2 5 3 1748.37 1670.24 63.21 o
3 5 3 1281.58 1302.57 60.35 o
-8 6 3 1331.64 1295.02 65.53 o
-7 6 3 289.99 422.87 31.40 o
-6 6 3 227.48 254.17 26.12 o
-5 6 3 3155.20 3384.97 164.76 o
-4 6 3 1183.21 1205.62 59.13 o
-3 6 3 4460.70 4464.43 130.90 o
-2 6 3 1506.10 1542.86 52.22 o
-1 6 3 3504.62 3567.93 77.20 o
0 6 3 814.24 778.42 42.86 o
1 6 3 299.01 285.15 29.00 o
2 6 3 1447.63 1483.01 86.73 o
-7 7 3 3763.57 3682.05 121.29 o
-6 7 3 386.64 419.89 35.05 o
-5 7 3 2367.52 2453.03 88.55 o
-4 7 3 152.47 173.39 30.36 o
-3 7 3 330.07 321.22 44.74 o
-2 7 3 1611.60 1681.70 70.42 o
-1 7 3 243.17 224.07 27.20 o
0 7 3 2946.76 3000.75 142.55 o
1 7 3 138.65 121.42 77.38 o
-7 8 3 520.31 463.27 61.00 o
-6 8 3 1257.78 1396.44 95.54 o
-5 8 3 1125.50 1185.56 66.58 o
-4 8 3 2557.29 2425.21 110.87 o
-3 8 3 1299.85 1220.14 68.37 o
-2 8 3 1565.88 1392.63 88.32 o
-1 8 3 184.76 119.17 75.96 o
-6 9 3 702.49 714.54 75.34 o
-5 9 3 517.54 633.16 71.69 o
-1 1 4 56908.97 51532.23 267.82 o
0 1 4 16772.84 17196.77 56.03 o
1 1 4 9837.46 9493.33 59.73 o
-3 2 4 6666.36 7122.78 95.46 o
-2 2 4 7072.99 7469.90 55.85 o
-1 2 4 9318.09 8798.88 65.67 o
0 2 4 3029.73 2403.94 24.39 o
1 2 4 48292.16 49783.91 367.23 o
2 2 4 8564.15 8660.11 144.33 o
-5 3 4 20738.35 21896.79 183.39 o
-4 3 4 3505.98 3595.86 46.94 o
-3 3 4 50697.36 52447.69 188.65 o
-2 3 4 6788.68 7038.07 69.76 o
-1 3 4 48238.04 48869.50 496.10 o
0 3 4 863.21 1064.18 20.27 o
1 3 4 6876.01 7542.14 76.26 o
2 3 4 4790.71 5000.67 89.34 o
3 3 4 308.52 312.74 26.41 o
-7 4 4 10346.45 10601.17 194.63 o
-6 4 4 5023.53 4899.11 122.42 o
-5 4 4 8896.76 9053.83 89.69 o
-4 4 4 871.86 921.78 23.37 o
-3 4 4 3427.51 3700.67 53.97 o
-2 4 4 8750.89 8956.41 84.59 o
-1 4 4 6459.40 6733.97 71.96 o
0 4 4 22364.32 23237.76 294.07 o
1 4 4 7492.97 7913.02 98.28 o
2 4 4 16661.59 16858.69 181.80 o
3 4 4 1998.75 1941.54 70.62 o
4 4 4 3463.21 3226.66 83.14 o
-9 5 4 1497.48 1276.40 124.69 o
-8 5 4 573.51 567.79 42.94 o
-7 5 4 5200.85 5126.46 81.54 o
-6 5 4 2501.38 2587.92 57.02 o
-5 5 4 19087.61 20000.81 392.77 o
-4 5 4 8904.47 9130.61 106.01 o
-3 5 4 20936.85 22405.61 281.51 o
-2 5 4 4751.13 4870.49 78.02 o
-1 5 4 7208.09 7557.37 74.06 o
0 5 4 1790.81 1844.89 45.55 o
1 5 4 2158.69 2212.74 61.84 o
2 5 4 4242.47 4393.30 102.53 o
3 5 4 2594.39 2747.54 87.37 o
-8 6 4 1135.45 1251.89 96.51 o
-7 6 4 8922.52 9421.55 232.93 o
-6 6 4 13.25 40.81 27.43 o
-5 6 4 2793.38 2938.21 104.69 o
-4 6 4 5302.78 5237.58 111.88 o
-3 6 4 245.28 263.17 31.61 o
-2 6 4 16144.26 15891.57 450.39 o
-1 6 4 2120.87 2135.70 54.47 o
0 6 4 17149.85 16612.36 194.62 o
1 6 4 1212.21 1166.07 56.07 o
2 6 4 6803.48 6745.44 138.50 o
-7 7 4 1425.63 1207.54 87.94 o
-6 7 4 9312.39 9573.45 268.11 o
-5 7 4 5228.29 5142.38 138.83 o
-4 7 4 10726.78 10136.17 214.11 o
-3 7 4 1858.93 1899.17 75.14 o
-2 7 4 4018.17 4147.80 208.72 o
-1 7 4 1269.85 1184.25 62.96 o
0 7 4 465.77 417.79 43.21 o
1 7 4 3698.65 3534.61 204.75 o
-7 8 4 2819.53 2617.89 215.35 o
-6 8 4 1194.84 1294.56 65.57 o
-5 8 4 627.19 764.76 86.72 o
-4 8 4 3441.98 3117.26 214.66 o
-3 8 4 2439.27 2313.88 113.61 o
-2 8 4 6494.73 6549.76 189.59 o
-1 8 4 3567.55 3180.42 191.84 o
-5 9 4 1383.27 1338.22 121.96 o
-4 9 4 5806.19 5670.86 254.20 o
-1 1 5 1181.03 1180.86 16.68 o
0 1 5 10319.60 10203.91 62.19 o
1 1 5 4725.65 4780.84 50.11 o
-3 2 5 7729.31 7513.47 76.36 o
-2 2 5 5135.06 5426.06 69.84 o
-1 2 5 4847.20 4968.80 47.22 o
0 2 5 211.16 236.28 8.08 o
1 2 5 1467.67 1510.25 27.35 o
2 2 5 4768.51 4720.72 71.06 o
-5 3 5 3021.03 2979.76 68.60 o
-4 3 5 1166.91 1162.21 26.26 o
-3 3 5 853.89 840.56 23.18 o
-2 3 5 7905.21 7359.49 112.38 o
-1 3 5 1639.97 1722.57 36.37 o
0 3 5 12771.86 12348.99 94.12 o
1 3 5 984.29 1048.88 35.78 o
2 3 5 5301.82 5009.25 90.23 o
3 3 5 85.50 76.38 19.55 o
-7 4 5 261.05 270.21 28.70 o
-6 4 5 4680.75 4754.90 100.29 o
-5 4 5 1230.02 1193.65 46.23 o
-4 4 5 6444.96 6509.28 76.29 o
-3 4 5 1202.81 1151.30 41.95 o
-2 4 5 4546.83 4620.23 65.39 o
-1 4 5 972.26 1009.52 32.13 o
0 4 5 20.67 25.95 9.10 o
1 4 5 4234.23 4253.13 90.92 o
2 4 5 1084.22 1113.13 54.71 o
3 4 5 5463.24 5377.19 112.97 o
4 4 5 1103.91 938.73 52.49 o
-8 5 5 1806.29 1930.21 95.74 o
-7 5 5 2011.02 1931.11 60.49 o
-6 5 5 498.21 483.20 27.76 o
-5 5 5 860.51 928.15 38.85 o
-4 5 5 1278.54 1302.01 65.33 o
-3 5 5 3193.36 3253.45 84.51 o
-2 5 5 5172.71 4976.17 70.79 o
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0 5 5 2989.26 2912.50 66.19 o
1 5 5 2029.15 1870.32 90.63 o
2 5 5 738.72 799.33 44.70 o
3 5 5 174.83 185.38 34.37 o
-8 6 5 1785.44 1778.12 101.59 o
-7 6 5 393.77 404.88 32.36 o
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0 6 5 736.33 737.56 42.65 o
1 6 5 3159.86 3200.43 118.49 o
2 6 5 1141.44 1107.26 58.26 o
-7 7 5 216.66 264.12 38.75 o
-6 7 5 325.33 273.65 36.54 o
-5 7 5 2200.10 2251.25 93.80 o
-4 7 5 299.60 402.87 37.75 o
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0 7 5 89.21 142.81 34.32 o
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-5 8 5 1782.00 1970.63 93.21 o
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-1 1 6 1657.37 1611.33 21.07 o
0 1 6 2356.94 2383.06 24.54 o
1 1 6 5058.26 4927.37 43.63 o
-3 2 6 266.32 228.90 14.61 o
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-1 2 6 4965.04 4903.32 51.96 o
0 2 6 5674.12 5822.96 67.26 o
1 2 6 2404.59 2455.70 41.99 o
2 2 6 1986.92 1979.73 42.68 o
-5 3 6 457.70 463.27 28.58 o
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-3 3 6 565.47 626.57 26.89 o
-2 3 6 131.63 89.36 13.60 o
-1 3 6 2185.76 2142.48 36.82 o
0 3 6 355.91 421.87 12.31 o
1 3 6 4446.91 4254.27 59.13 o
2 3 6 130.91 168.49 15.63 o
3 3 6 5875.84 6036.19 109.57 o
-7 4 6 172.21 171.97 26.98 o
-6 4 6 1111.13 1108.21 53.84 o
-5 4 6 2492.49 2524.39 63.64 o
-4 4 6 131.01 109.51 13.93 o
-3 4 6 4432.74 4481.65 64.43 o
-2 4 6 2330.69 2213.98 64.56 o
-1 4 6 4544.09 4289.29 64.21 o
0 4 6 227.59 218.85 10.27 o
1 4 6 1363.68 1388.01 40.83 o
2 4 6 1898.98 1840.51 70.76 o
3 4 6 274.28 254.52 33.74 o
4 4 6 1415.11 1479.00 64.65 o
-8 5 6 1132.46 1138.98 81.53 o
-7 5 6 1841.46 1787.32 71.65 o
-6 5 6 3064.97 3059.76 118.60 o
-5 5 6 1853.57 1788.73 65.76 o
-4 5 6 2150.96 2084.19 69.14 o
-3 5 6 269.07 212.82 25.46 o
-2 5 6 68.36 67.19 14.75 o
-1 5 6 1305.78 1256.50 37.03 o
0 5 6 1461.44 1361.17 42.32 o
1 5 6 3426.70 3393.64 78.38 o
2 5 6 1515.89 1746.09 66.52 o
3 5 6 1304.16 1188.80 59.78 o
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-7 6 6 303.56 373.63 57.46 o
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-5 6 6 2924.61 3011.97 91.17 o
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