#------------------------------------------------------------------------------
#$Date: 2022-06-08 05:12:00 +0300 (Wed, 08 Jun 2022) $
#$Revision: 275901 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/26/2022618.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_2022618
_cell_angle_alpha                90.000
_cell_angle_beta                 95.107
_cell_angle_gamma                90.000
_cell_length_a                   9.0957
_cell_length_b                   17.4571
_cell_length_c                   11.5422
_exptl_crystal_F_000             966.00
_reflns_d_resolution_high        0.8256
_cod_data_source_file            oc3015bptchosup2.hkl
_cod_data_source_block           bptcho
_shelx_title                     ' gd2_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            354.37
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
2 0 0 44413.89 51098.96 1462.57 o
4 0 0 32898.52 32330.16 1067.52 o
6 0 0 28757.38 29689.73 1098.63 o
8 0 0 5526.48 5785.03 438.67 o
10 0 0 4293.85 4429.39 435.88 o
2 1 0 3692.93 4890.06 153.07 o
3 1 0 8357.48 9073.77 445.72 o
4 1 0 489.50 485.77 94.84 o
5 1 0 20473.44 20140.92 550.89 o
6 1 0 894.16 890.48 95.94 o
7 1 0 7289.70 7759.31 338.06 o
8 1 0 960.48 1070.18 126.02 o
9 1 0 3765.75 3353.19 247.29 o
10 1 0 685.04 618.21 114.34 o
1 2 0 3855.36 3442.56 142.54 o
2 2 0 29.58 77.01 20.20 o
3 2 0 1904.94 1834.28 80.22 o
4 2 0 522.06 753.15 111.55 o
5 2 0 4079.43 3997.57 195.62 o
6 2 0 5593.36 5385.83 253.73 o
7 2 0 3479.02 3778.06 224.68 o
8 2 0 981.80 989.59 120.29 o
9 2 0 1994.97 1901.55 185.60 o
10 2 0 449.48 277.77 106.87 o
1 3 0 1326.58 949.87 38.09 o
2 3 0 455.80 386.78 26.35 o
3 3 0 1733.32 1964.62 91.01 o
4 3 0 1368.80 1720.84 111.29 o
5 3 0 4434.43 4663.60 214.26 o
6 3 0 1458.90 1401.49 142.05 o
7 3 0 1382.20 1453.45 135.58 o
8 3 0 1844.59 1815.75 166.21 o
9 3 0 574.08 579.19 100.13 o
10 3 0 1708.97 1948.10 274.69 o
0 4 0 24414.48 24657.34 426.70 o
1 4 0 769.08 687.15 35.27 o
2 4 0 14440.48 13371.35 275.63 o
3 4 0 250.22 253.11 26.15 o
4 4 0 27157.14 27625.07 544.86 o
5 4 0 126.02 192.19 72.30 o
6 4 0 15693.95 15420.91 493.55 o
7 4 0 1534.70 1513.39 140.44 o
8 4 0 3955.57 3267.28 227.41 o
9 4 0 628.70 739.13 114.08 o
10 4 0 2379.87 2168.00 213.17 o
1 5 0 46151.49 46348.79 826.54 o
2 5 0 477.45 494.39 36.51 o
3 5 0 34922.43 34095.30 541.63 o
4 5 0 15.32 47.13 13.79 o
5 5 0 26779.67 25184.80 666.86 o
6 5 0 144.19 160.45 44.29 o
7 5 0 11006.53 10880.24 424.08 o
8 5 0 1.53 30.29 29.71 o
9 5 0 4378.61 4357.01 287.03 o
10 5 0 19.25 109.01 87.80 o
0 6 0 24664.05 25688.80 597.25 o
1 6 0 1786.47 1853.98 62.67 o
2 6 0 33689.90 34559.45 580.12 o
3 6 0 1624.17 1497.92 76.99 o
4 6 0 27769.17 28352.88 569.53 o
5 6 0 18.05 44.36 19.29 o
6 6 0 13918.53 15102.98 493.98 o
7 6 0 706.09 762.04 99.76 o
8 6 0 3992.99 3795.15 250.28 o
9 6 0 704.85 806.38 121.99 o
10 6 0 2232.05 2356.59 226.21 o
1 7 0 10029.21 10660.49 386.45 o
2 7 0 10415.31 11124.46 215.62 o
3 7 0 2709.71 3207.92 160.65 o
4 7 0 2127.21 2122.10 132.64 o
5 7 0 529.41 656.20 85.49 o
6 7 0 2276.01 2278.16 166.39 o
7 7 0 778.73 777.80 103.32 o
8 7 0 2011.41 2130.69 187.11 o
9 7 0 111.07 152.14 52.31 o
10 7 0 1183.07 1158.80 160.90 o
0 8 0 8014.17 8681.95 214.57 o
1 8 0 320.99 260.02 24.78 o
2 8 0 12394.81 12464.04 242.18 o
3 8 0 813.95 869.97 59.83 o
4 8 0 3563.44 3128.31 266.18 o
5 8 0 186.51 248.87 68.78 o
6 8 0 3152.15 3099.11 199.18 o
7 8 0 1953.52 1915.80 319.47 o
8 8 0 1722.77 2180.21 202.93 o
9 8 0 1951.89 1692.44 179.56 o
10 8 0 221.35 205.51 73.46 o
1 9 0 36196.45 34992.89 556.26 o
2 9 0 1379.96 1539.78 67.55 o
3 9 0 16249.58 16448.87 363.10 o
4 9 0 204.71 329.29 50.56 o
5 9 0 11145.91 10348.94 524.46 o
6 9 0 399.62 514.86 113.74 o
7 9 0 3755.25 3638.32 327.00 o
8 9 0 2562.66 2433.00 279.12 o
9 9 0 2931.94 2816.26 322.87 o
0 10 0 29637.32 28603.84 686.35 o
1 10 0 203.62 208.44 24.74 o
2 10 0 33261.60 33251.04 1158.98 o
3 10 0 243.97 270.79 56.70 o
4 10 0 15373.88 14915.21 443.85 o
5 10 0 188.53 173.16 61.85 o
6 10 0 10136.75 9940.16 553.87 o
7 10 0 114.70 123.70 58.21 o
8 10 0 10074.21 10005.90 620.83 o
9 10 0 4.58 35.36 21.02 o
1 11 0 15578.98 16044.82 283.00 o
2 11 0 106.55 159.30 22.95 o
3 11 0 15281.16 15172.89 427.32 o
4 11 0 41.01 28.15 16.48 o
5 11 0 9702.92 9848.78 524.59 o
6 11 0 2510.25 1953.86 228.21 o
7 11 0 6914.10 6938.71 478.90 o
8 11 0 372.73 287.63 95.63 o
9 11 0 1689.55 1783.01 261.14 o
0 12 0 938.50 908.20 101.41 o
1 12 0 19.66 25.72 6.71 o
2 12 0 3823.14 4108.58 149.03 o
3 12 0 116.28 93.04 24.96 o
4 12 0 1277.95 1261.90 125.55 o
5 12 0 1656.02 1610.09 194.06 o
6 12 0 301.77 326.76 88.34 o
7 12 0 1250.39 1362.08 206.09 o
8 12 0 523.62 484.97 130.51 o
9 12 0 1461.38 1324.77 223.59 o
1 13 0 3260.01 3304.40 109.29 o
2 13 0 495.59 464.82 52.33 o
3 13 0 1196.18 1268.53 88.06 o
4 13 0 236.98 204.07 78.44 o
5 13 0 2356.02 2575.52 192.20 o
6 13 0 1345.47 1079.67 170.85 o
7 13 0 775.22 831.90 162.59 o
8 13 0 1339.77 1164.25 200.26 o
0 14 0 17859.70 18131.51 528.39 o
1 14 0 266.62 296.68 31.54 o
2 14 0 19519.60 19188.04 384.59 o
3 14 0 920.97 904.32 100.91 o
4 14 0 16667.77 15576.34 521.89 o
5 14 0 1191.66 1053.67 124.72 o
6 14 0 7579.05 7276.86 371.57 o
7 14 0 976.23 1011.68 140.63 o
8 14 0 3795.64 3349.84 351.55 o
1 15 0 18666.13 18855.06 393.77 o
2 15 0 150.50 236.77 39.76 o
3 15 0 11362.63 11491.02 417.10 o
4 15 0 59.75 45.14 66.41 o
5 15 0 10022.09 9921.54 421.95 o
6 15 0 132.97 38.34 45.93 o
7 15 0 7208.25 7731.56 409.26 o
0 16 0 11378.85 11699.68 408.93 o
1 16 0 252.78 239.43 50.05 o
2 16 0 12343.76 12395.32 349.00 o
3 16 0 568.26 500.95 67.56 o
4 16 0 6416.18 5955.66 301.92 o
5 16 0 1081.65 823.40 114.89 o
6 16 0 4096.46 3947.70 270.79 o
7 16 0 241.51 237.44 69.21 o
1 17 0 1835.69 1795.50 100.76 o
2 17 0 855.00 902.88 110.77 o
3 17 0 13.74 18.89 18.66 o
4 17 0 331.54 342.38 67.34 o
5 17 0 581.29 536.56 225.90 o
6 17 0 729.94 951.74 132.44 o
0 18 0 1022.31 1006.88 187.26 o
1 18 0 4.03 58.40 26.59 o
2 18 0 2728.94 2563.83 151.76 o
3 18 0 80.76 93.32 27.66 o
4 18 0 2188.08 1924.44 190.14 o
5 18 0 791.08 845.38 217.51 o
1 19 0 7561.47 6870.10 381.50 o
2 19 0 212.07 186.41 95.63 o
3 19 0 11239.77 10062.53 683.29 o
4 19 0 79.62 60.39 59.54 o
0 20 0 11076.25 11088.85 724.24 o
1 20 0 31.14 0.00 36.33 o
2 20 0 12718.09 12326.86 784.51 o
3 20 0 94.44 25.28 60.64 o
1 21 0 5466.89 5108.43 484.36 o
-11 0 1 658.35 592.51 170.00 o
-9 0 1 2778.39 3448.51 349.36 o
-7 0 1 11380.91 11481.35 607.58 o
-5 0 1 14824.35 13591.97 590.08 o
-3 0 1 34723.00 29015.68 931.91 o
3 0 1 16405.58 15869.31 573.07 o
5 0 1 47837.23 47512.77 1537.55 o
7 0 1 11987.29 12013.47 630.43 o
9 0 1 7156.44 6862.39 518.63 o
-11 1 1 812.92 651.49 119.45 o
-10 1 1 1162.96 1079.74 143.01 o
-9 1 1 1120.38 1102.78 137.81 o
-8 1 1 2113.46 1856.04 167.16 o
-7 1 1 2413.34 2187.86 360.66 o
-6 1 1 7800.34 7145.68 297.60 o
-5 1 1 4451.02 3913.04 191.37 o
-4 1 1 7526.52 6684.14 371.78 o
-3 1 1 1950.23 2224.71 89.37 o
-2 1 1 8023.88 5263.92 214.62 o
2 1 1 15122.63 13285.46 263.68 o
3 1 1 377.61 352.64 39.70 o
4 1 1 17394.58 17135.26 597.50 o
5 1 1 32.46 43.27 21.55 o
6 1 1 15308.30 14665.93 474.45 o
7 1 1 124.31 174.64 44.74 o
8 1 1 6305.75 6263.19 324.90 o
9 1 1 177.19 272.01 67.98 o
10 1 1 4302.72 4510.02 311.43 o
-10 2 1 3078.53 2869.61 244.55 o
-9 2 1 389.57 421.54 85.38 o
-8 2 1 7143.90 7001.52 341.34 o
-7 2 1 1626.28 1561.47 175.59 o
-6 2 1 5523.71 5472.48 299.36 o
-5 2 1 1171.46 1071.18 96.07 o
-4 2 1 11678.77 12267.59 400.23 o
-3 2 1 1497.80 1900.36 81.58 o
-2 2 1 12390.09 13756.83 236.14 o
-1 2 1 17594.19 13661.31 190.29 o
1 2 1 2058.38 1385.32 54.88 o
2 2 1 3008.57 2553.98 84.88 o
3 2 1 1441.78 1296.57 68.01 o
4 2 1 1245.98 969.25 149.28 o
5 2 1 5730.65 6447.55 260.87 o
6 2 1 595.98 680.94 83.71 o
7 2 1 1801.16 1786.08 248.87 o
8 2 1 248.36 231.39 60.42 o
9 2 1 1185.23 1107.90 220.49 o
10 2 1 154.01 113.47 50.90 o
-10 3 1 360.27 443.03 98.46 o
-9 3 1 3953.58 3865.09 265.39 o
-8 3 1 81.67 48.99 30.11 o
-7 3 1 6616.06 6747.63 313.63 o
-6 3 1 264.21 243.23 50.28 o
-5 3 1 12095.80 11573.23 379.32 o
-4 3 1 8916.12 9550.29 265.64 o
-3 3 1 9565.08 10111.66 206.76 o
-2 3 1 10306.70 10868.44 163.28 o
-1 3 1 7406.42 7924.41 124.57 o
0 3 1 9506.29 11189.23 188.94 o
1 3 1 10114.34 9879.12 196.20 o
2 3 1 9315.68 9683.34 292.73 o
3 3 1 1555.34 1674.05 79.28 o
4 3 1 1238.44 1370.68 110.72 o
5 3 1 731.54 797.35 83.51 o
6 3 1 4013.49 4101.43 220.04 o
7 3 1 1.28 88.24 39.80 o
8 3 1 1787.91 1773.66 166.61 o
9 3 1 500.07 663.14 107.61 o
10 3 1 222.11 204.76 66.83 o
-10 4 1 623.75 603.07 186.83 o
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-8 4 1 2228.64 2161.11 182.58 o
-7 4 1 3717.12 3653.21 321.29 o
-6 4 1 3740.08 3747.85 209.79 o
-5 4 1 16844.53 16010.23 475.11 o
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0 4 1 8701.42 8816.17 165.80 o
1 4 1 35116.73 35006.16 582.28 o
2 4 1 4014.48 4068.80 119.13 o
3 4 1 18808.74 18641.61 433.69 o
4 4 1 23.75 59.22 13.94 o
5 4 1 29575.94 29474.11 1152.52 o
6 4 1 43.06 97.04 33.91 o
7 4 1 12363.37 12748.37 466.99 o
8 4 1 24.56 13.25 22.34 o
9 4 1 4481.80 4313.65 288.18 o
10 4 1 599.12 670.34 122.23 o
-10 5 1 1511.82 1574.05 195.28 o
-9 5 1 21.61 77.03 40.38 o
-8 5 1 4299.12 4228.62 261.77 o
-7 5 1 5.75 30.08 29.41 o
-6 5 1 11543.81 10893.39 395.50 o
-5 5 1 4.83 24.56 23.03 o
-4 5 1 30750.43 30831.38 520.50 o
-3 5 1 41.65 33.07 8.48 o
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-1 5 1 199.92 157.14 16.14 o
0 5 1 53211.50 51904.16 682.41 o
1 5 1 163.11 190.90 17.55 o
2 5 1 35418.52 33621.75 930.65 o
3 5 1 32.47 15.86 9.40 o
4 5 1 30814.86 31633.81 759.10 o
5 5 1 18.79 30.24 19.35 o
6 5 1 28868.21 26941.94 1125.91 o
7 5 1 2.77 30.48 24.73 o
8 5 1 7358.65 7574.22 367.22 o
9 5 1 11.97 28.45 30.67 o
10 5 1 3398.63 3586.87 309.32 o
-10 6 1 1496.39 1458.65 177.51 o
-9 6 1 1155.25 1182.38 144.40 o
-8 6 1 843.60 807.12 111.46 o
-7 6 1 3121.19 3124.49 208.98 o
-6 6 1 1318.65 1305.59 122.07 o
-5 6 1 14495.04 14089.50 443.24 o
-4 6 1 6466.42 6904.45 179.68 o
-3 6 1 21567.07 20243.57 369.62 o
-2 6 1 2363.71 2447.50 97.25 o
-1 6 1 34646.59 31927.77 936.89 o
0 6 1 344.22 250.20 20.92 o
1 6 1 35702.17 33971.84 684.19 o
2 6 1 88.12 65.42 15.19 o
3 6 1 26956.70 26735.51 585.78 o
4 6 1 1665.59 2145.74 181.91 o
5 6 1 20713.57 21169.51 590.95 o
6 6 1 526.20 582.97 81.13 o
7 6 1 8272.09 8014.78 357.79 o
8 6 1 13.74 0.00 22.60 o
9 6 1 4075.47 3836.78 273.29 o
10 6 1 1.80 30.26 48.73 o
-10 7 1 4.72 71.76 44.73 o
-9 7 1 5127.85 5273.82 325.01 o
-8 7 1 200.31 265.93 97.64 o
-7 7 1 4287.90 4467.50 264.18 o
-6 7 1 14.57 29.34 15.47 o
-5 7 1 6695.45 6827.91 334.59 o
-4 7 1 686.62 649.97 48.72 o
-3 7 1 16960.61 17636.24 374.42 o
-2 7 1 13893.48 15585.38 285.49 o
-1 7 1 8686.70 8933.69 167.94 o
0 7 1 4593.05 4680.46 115.34 o
1 7 1 837.58 581.08 33.75 o
2 7 1 606.87 498.99 38.76 o
3 7 1 277.93 215.61 31.61 o
4 7 1 1762.86 1727.63 115.00 o
5 7 1 22.99 27.71 26.49 o
6 7 1 2332.40 2349.28 169.65 o
7 7 1 347.98 292.48 68.17 o
8 7 1 458.05 458.12 84.70 o
9 7 1 80.84 146.38 44.62 o
10 7 1 242.73 425.67 98.36 o
-10 8 1 2692.50 3041.76 286.17 o
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-7 8 1 501.77 538.29 88.33 o
-6 8 1 3599.82 3631.82 215.37 o
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-4 8 1 5400.23 5171.90 610.86 o
-3 8 1 2769.85 3002.34 105.07 o
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-1 8 1 11052.83 11247.38 204.74 o
0 8 1 8345.66 8777.25 184.70 o
1 8 1 15884.89 17440.64 311.22 o
2 8 1 1362.54 1209.06 63.99 o
3 8 1 2213.50 2057.14 97.27 o
4 8 1 427.16 324.73 48.15 o
5 8 1 2567.78 2732.30 234.53 o
6 8 1 72.73 15.07 21.39 o
7 8 1 2351.89 2468.73 258.34 o
8 8 1 409.26 410.60 109.85 o
9 8 1 371.91 526.89 132.70 o
10 8 1 131.40 192.24 95.63 o
-9 9 1 2923.61 3110.45 250.69 o
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-7 9 1 1865.48 1708.52 162.47 o
-6 9 1 3723.56 3524.95 384.30 o
-5 9 1 903.63 1223.91 160.40 o
-4 9 1 11926.25 11212.80 532.24 o
-3 9 1 7192.21 7683.88 190.64 o
-2 9 1 16027.73 16125.72 274.94 o
-1 9 1 3620.61 3768.33 104.73 o
0 9 1 27004.85 27629.28 414.78 o
1 9 1 251.56 289.13 24.67 o
2 9 1 27109.90 26643.93 509.03 o
3 9 1 335.92 348.52 38.80 o
4 9 1 12221.21 11724.88 359.42 o
5 9 1 168.74 139.01 51.28 o
6 9 1 9231.44 9355.67 519.00 o
7 9 1 715.26 645.01 133.55 o
8 9 1 5379.45 4851.90 404.28 o
9 9 1 59.31 54.93 41.32 o
-9 10 1 3039.12 3121.88 347.54 o
-8 10 1 15.74 101.71 74.37 o
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-5 10 1 7892.41 8454.62 477.80 o
-4 10 1 205.71 251.05 67.68 o
-3 10 1 21577.71 21337.94 394.10 o
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0 10 1 207.89 162.58 20.61 o
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2 10 1 44.44 18.94 11.86 o
3 10 1 25676.14 25569.15 522.40 o
4 10 1 200.44 239.67 45.29 o
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-9 11 1 871.44 1027.91 198.31 o
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5 11 1 38.32 8.53 26.19 o
6 11 1 6813.00 6777.09 440.01 o
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-6 12 1 6101.21 5933.04 427.49 o
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-3 12 1 1043.70 1153.96 72.58 o
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0 12 1 6267.00 5819.52 200.30 o
1 12 1 3074.50 3040.36 122.90 o
2 12 1 1012.31 912.93 62.78 o
3 12 1 1666.85 1467.69 120.03 o
4 12 1 1106.39 1095.49 82.64 o
5 12 1 500.48 422.78 73.91 o
6 12 1 6.39 61.89 34.73 o
7 12 1 848.91 639.05 134.15 o
8 12 1 465.60 550.47 138.41 o
-8 13 1 586.08 535.40 139.62 o
-7 13 1 4693.11 4792.00 408.66 o
-6 13 1 682.46 843.08 157.12 o
-5 13 1 3726.59 3844.78 322.75 o
-4 13 1 1091.12 982.91 107.56 o
-3 13 1 6448.27 6129.24 218.31 o
-2 13 1 4396.31 4393.54 121.00 o
-1 13 1 3552.51 3652.91 119.00 o
0 13 1 2002.99 1945.55 90.99 o
1 13 1 441.36 468.11 42.78 o
2 13 1 488.99 491.93 47.61 o
3 13 1 3286.69 3295.97 198.45 o
4 13 1 1856.84 1669.16 290.12 o
5 13 1 56.80 36.67 27.89 o
6 13 1 1152.01 1192.72 136.43 o
7 13 1 40.20 31.75 27.92 o
8 13 1 884.58 825.94 132.01 o
-8 14 1 1124.95 1076.03 200.50 o
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0 14 1 160.03 213.89 29.81 o
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-4 5 13 291.23 230.52 115.81 o
-3 5 13 25.33 0.00 54.20 o
-2 5 13 1.51 0.00 26.61 o
-1 5 13 13.65 144.12 105.48 o
0 5 13 99.50 274.38 125.40 o
1 5 13 120.12 150.19 88.46 o
2 5 13 56.18 144.73 88.83 o
-3 6 13 304.84 387.39 149.83 o
-2 6 13 1931.86 2368.23 320.56 o
-1 6 13 7.55 0.00 63.55 o
0 6 13 2685.65 2702.40 347.90 o
1 6 13 3.61 33.66 43.38 o
-2 7 13 40.46 168.30 97.09 o
-1 7 13 3863.00 4010.65 432.48 o
0 7 13 51.34 47.51 54.20 o