#------------------------------------------------------------------------------
#$Date: 2023-11-08 04:59:25 +0200 (Wed, 08 Nov 2023) $
#$Revision: 287485 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/23/2312335.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_2312335
_cell_angle_alpha                90.000
_cell_angle_beta                 90.002
_cell_angle_gamma                90.000
_cell_length_a                   12.8036
_cell_length_b                   14.9042
_cell_length_c                   5.9782
_exptl_crystal_F_000             1156.00
_reflns_d_resolution_high        0.6024
_cod_data_source_file            yv5013300Ksup2.hkl
_cod_data_source_block           300K
_shelx_title                     ' '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            557.91
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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
4 0 0 197291.09 203623.78 7575.50 o
6 0 0 96990.73 107677.03 1570.91 o
8 0 0 107529.16 115665.53 1466.29 o
10 0 0 6784.91 7460.62 137.12 o
12 0 0 66162.90 70443.37 1068.52 o
14 0 0 12556.48 13314.59 539.41 o
16 0 0 32677.50 35046.86 1102.59 o
18 0 0 221.27 241.19 206.73 o
20 0 0 46737.18 48513.22 1505.67 o
3 1 0 2560.32 2435.07 103.06 o
5 1 0 1993.71 2251.17 83.81 o
7 1 0 36651.09 39697.48 395.64 o
9 1 0 2.89 12.19 23.68 o
11 1 0 11.03 -21.35 21.35 o
13 1 0 9735.50 9782.82 185.37 o
15 1 0 1.40 -10.67 113.92 o
17 1 0 415.83 253.34 135.88 o
19 1 0 566.98 489.03 214.57 o
0 2 0 255738.44 227512.59 7487.39 o
2 2 0 5284.93 5142.08 182.89 o
4 2 0 197434.88 195413.73 3835.34 o
6 2 0 10381.15 11647.97 168.31 o
8 2 0 101041.95 108187.19 1040.68 o
10 2 0 4444.33 4852.88 83.20 o
12 2 0 72760.42 75848.25 897.06 o
14 2 0 809.67 718.55 90.01 o
16 2 0 33518.25 34921.88 878.04 o
18 2 0 1623.93 1804.25 193.05 o
20 2 0 22323.09 22575.91 613.43 o
1 3 0 13956.64 13245.14 117.36 o
3 3 0 85370.95 85790.80 1553.34 o
5 3 0 2469.81 2374.99 92.87 o
7 3 0 25775.80 26946.21 336.00 o
9 3 0 4770.09 5008.94 98.07 o
11 3 0 8262.55 8703.50 130.40 o
13 3 0 9812.69 10223.76 191.95 o
15 3 0 403.75 406.61 121.72 o
17 3 0 8316.90 8466.93 329.88 o
19 3 0 2531.88 2680.17 231.49 o
0 4 0 99436.88 92829.12 1124.35 o
2 4 0 4578.32 4047.24 89.36 o
4 4 0 22936.69 21693.90 433.23 o
6 4 0 437.57 575.70 64.07 o
8 4 0 104659.62 111380.02 1423.27 o
10 4 0 25312.13 25637.34 379.39 o
12 4 0 62668.20 63783.17 850.30 o
14 4 0 0.02 -11.31 67.81 o
16 4 0 11265.68 12477.76 534.57 o
18 4 0 85.00 79.75 129.44 o
20 4 0 13812.52 14121.12 465.53 o
1 5 0 62896.59 59238.15 483.17 o
3 5 0 7732.44 8924.20 109.21 o
5 5 0 43876.89 44579.60 889.50 o
7 5 0 30433.32 31548.11 640.06 o
9 5 0 6668.60 7121.34 180.14 o
11 5 0 8549.00 8772.23 160.17 o
13 5 0 14703.76 14577.44 243.20 o
15 5 0 10862.31 10203.81 236.14 o
17 5 0 862.89 963.29 155.20 o
19 5 0 8991.77 8386.35 357.53 o
0 6 0 10860.59 10727.03 234.72 o
2 6 0 8660.04 8613.02 120.52 o
4 6 0 44578.30 44419.75 438.87 o
6 6 0 14833.99 14885.13 327.16 o
8 6 0 23668.16 24891.59 437.09 o
10 6 0 2798.96 2755.29 156.18 o
12 6 0 19835.24 19893.48 304.24 o
14 6 0 6169.27 6230.03 139.82 o
16 6 0 12394.52 12275.70 439.43 o
18 6 0 1047.60 1500.98 189.10 o
20 6 0 4821.71 4289.25 385.40 o
1 7 0 45192.63 42563.25 466.09 o
3 7 0 5545.57 4910.41 126.41 o
5 7 0 63476.13 62206.31 734.27 o
7 7 0 5901.93 5824.81 88.54 o
9 7 0 18000.13 17903.87 422.75 o
11 7 0 19654.71 20096.13 460.64 o
13 7 0 5948.20 5903.64 181.66 o
15 7 0 12271.96 12293.89 220.73 o
17 7 0 4501.09 4314.62 171.94 o
19 7 0 9919.13 9687.78 375.22 o
0 8 0 85495.53 84992.01 1271.70 o
2 8 0 63195.63 61882.15 664.57 o
4 8 0 11545.60 11683.06 420.29 o
6 8 0 7721.73 7560.87 145.02 o
8 8 0 2177.78 1991.03 208.35 o
10 8 0 7329.20 7248.54 254.91 o
12 8 0 902.23 765.56 109.11 o
14 8 0 3950.99 3712.67 307.96 o
16 8 0 3465.66 3410.49 217.81 o
18 8 0 11428.69 11508.18 396.24 o
1 9 0 51266.54 51002.48 642.18 o
3 9 0 17406.10 16687.21 239.07 o
5 9 0 17923.95 17312.44 233.17 o
7 9 0 66341.34 66628.30 1206.07 o
9 9 0 9316.94 9250.13 200.07 o
11 9 0 8665.27 8606.97 353.39 o
13 9 0 30902.14 30556.38 667.46 o
15 9 0 5825.22 5856.65 199.21 o
17 9 0 5097.21 4630.13 264.79 o
19 9 0 9649.31 8386.98 536.00 o
0 10 0 1504.35 1523.55 188.45 o
2 10 0 52824.37 51936.60 574.20 o
4 10 0 5535.96 5979.41 157.69 o
6 10 0 61024.11 57526.75 772.49 o
8 10 0 53.17 79.11 33.23 o
10 10 0 10861.73 10103.55 315.96 o
12 10 0 109.30 90.80 107.45 o
14 10 0 21763.82 21241.14 421.97 o
16 10 0 1185.75 938.01 108.67 o
18 10 0 11323.15 10702.29 383.40 o
1 11 0 16928.43 16849.38 385.97 o
3 11 0 51200.29 50546.69 694.64 o
5 11 0 6816.54 6838.12 283.55 o
7 11 0 26626.93 25905.80 479.23 o
9 11 0 8737.99 8537.65 211.74 o
11 11 0 11236.83 11594.74 587.62 o
13 11 0 12204.72 11903.74 361.98 o
15 11 0 1795.02 1678.66 129.85 o
17 11 0 9671.78 9730.55 360.59 o
0 12 0 13459.87 12931.54 621.35 o
2 12 0 38772.78 37953.66 542.18 o
4 12 0 5163.57 4786.66 148.74 o
6 12 0 62853.35 62608.78 987.95 o
8 12 0 274.34 359.43 49.13 o
10 12 0 60299.16 61052.66 1762.47 o
12 12 0 21.56 -117.60 153.48 o
14 12 0 24708.32 24688.27 608.90 o
16 12 0 495.39 443.58 104.08 o
1 13 0 9857.59 9727.07 302.97 o
3 13 0 23.28 25.30 58.03 o
5 13 0 7414.85 7561.22 349.90 o
7 13 0 5972.60 6051.22 270.01 o
9 13 0 1544.70 1752.48 294.32 o
11 13 0 1911.86 1874.53 166.71 o
13 13 0 2554.71 2214.55 185.81 o
15 13 0 3073.72 3018.97 338.73 o
0 14 0 17480.23 16582.38 423.26 o
2 14 0 35332.04 35638.32 639.85 o
4 14 0 148.02 127.73 66.72 o
6 14 0 63185.14 62384.75 1320.35 o
8 14 0 1147.38 1407.84 160.07 o
10 14 0 23493.45 23046.35 581.31 o
12 14 0 836.00 914.42 148.91 o
14 14 0 31569.55 31455.67 728.67 o
16 14 0 13.83 87.51 136.90 o
1 15 0 8.51 -24.57 74.22 o
3 15 0 205.63 196.28 69.41 o
5 15 0 2190.93 2224.14 274.13 o
7 15 0 4074.98 3744.32 283.65 o
9 15 0 632.37 844.24 189.51 o
11 15 0 412.95 499.89 145.73 o
13 15 0 1642.88 1678.14 186.70 o
15 15 0 594.65 356.83 144.46 o
0 16 0 1707.68 1775.96 222.43 o
2 16 0 41290.52 41171.27 706.41 o
4 16 0 35.87 17.01 79.71 o
6 16 0 20251.93 20477.24 401.46 o
8 16 0 1268.66 1273.96 171.14 o
10 16 0 12265.91 12955.34 686.67 o
12 16 0 1692.15 1460.77 178.77 o
14 16 0 11759.02 11993.39 404.21 o
1 17 0 1241.37 783.94 126.26 o
3 17 0 1263.06 1108.08 157.81 o
5 17 0 2694.73 2766.00 148.83 o
7 17 0 212.12 229.85 142.52 o
9 17 0 1073.26 764.82 156.05 o
11 17 0 2073.46 2197.55 200.67 o
13 17 0 206.78 22.23 135.99 o
0 18 0 12.26 37.59 153.48 o
2 18 0 18289.15 18646.55 397.55 o
4 18 0 1518.84 1318.80 116.62 o
6 18 0 19545.46 20545.04 864.47 o
8 18 0 185.10 355.51 137.32 o
10 18 0 4701.69 4648.58 405.62 o
12 18 0 294.42 113.89 141.54 o
1 19 0 8042.72 8330.34 470.16 o
3 19 0 16.66 21.20 89.38 o
5 19 0 8999.45 8874.00 547.93 o
7 19 0 2792.10 2977.02 214.75 o
9 19 0 2397.65 2091.51 300.75 o
11 19 0 1991.70 2157.04 209.57 o
2 20 0 5650.63 5871.94 341.57 o
4 20 0 1.32 6.30 100.24 o
6 20 0 8519.36 8418.08 330.15 o
8 20 0 1834.48 1725.20 178.77 o
10 20 0 12940.38 12878.31 420.79 o
1 21 0 5779.90 6239.48 265.90 o
3 21 0 7591.35 7955.54 246.91 o
5 21 0 5694.68 5676.60 273.49 o
7 21 0 5129.00 5191.06 279.96 o
9 21 0 5072.29 5373.78 290.60 o
0 22 0 80.42 119.03 162.88 o
2 22 0 1581.56 1655.65 284.91 o
4 22 0 1726.95 2029.96 404.11 o
6 22 0 4256.70 4804.48 275.83 o
8 22 0 1712.93 1948.18 303.87 o
1 23 0 7044.64 7913.03 404.12 o
3 23 0 6385.59 6881.09 429.32 o
5 23 0 2825.04 2830.04 433.91 o
0 24 0 9537.33 9336.64 485.84 o
2 24 0 1485.25 1445.32 320.93 o
-19 0 1 6319.68 6827.87 473.20 o
-17 0 1 4988.67 4859.50 404.23 o
-15 0 1 10477.58 10671.46 498.51 o
-13 0 1 13128.12 13930.98 536.34 o
-11 0 1 33967.33 36208.84 579.27 o
-9 0 1 28654.74 30217.28 418.32 o
-7 0 1 31424.59 32724.42 440.89 o
-5 0 1 7294.14 7659.83 98.26 o
-3 0 1 21790.19 22834.41 270.64 o
-1 0 1 26934.99 26477.98 307.17 o
1 0 1 24486.60 23688.22 249.12 o
3 0 1 23943.02 24839.09 454.40 o
5 0 1 6444.47 6651.84 146.50 o
7 0 1 33552.81 35166.52 536.22 o
9 0 1 26808.30 28229.75 447.32 o
11 0 1 35720.14 36823.52 704.62 o
13 0 1 12158.17 12653.50 898.51 o
15 0 1 11318.11 11694.15 501.68 o
17 0 1 4543.31 5144.45 379.14 o
19 0 1 6832.40 6414.47 441.88 o
-20 1 1 34.89 -151.70 151.70 o
-18 1 1 791.88 649.98 166.12 o
-16 1 1 527.61 662.21 146.18 o
-14 1 1 206.45 115.89 104.10 o
-12 1 1 428.94 441.56 42.96 o
-10 1 1 257.02 264.05 24.68 o
-8 1 1 91.34 109.50 19.22 o
-6 1 1 1108.35 1075.61 34.13 o
-4 1 1 2354.78 2286.86 33.81 o
-2 1 1 3957.83 3929.94 43.64 o
0 1 1 111.44 116.03 12.68 o
2 1 1 3749.07 3740.05 42.08 o
4 1 1 2512.74 2414.86 112.65 o
6 1 1 1034.96 846.82 54.44 o
8 1 1 100.09 120.55 23.43 o
10 1 1 226.99 330.89 25.75 o
12 1 1 466.21 477.42 50.38 o
14 1 1 228.11 295.68 106.04 o
16 1 1 494.38 560.73 131.44 o
18 1 1 830.40 885.65 158.08 o
20 1 1 31.11 -133.98 133.98 o
-19 2 1 4414.03 4145.83 330.56 o
-17 2 1 5431.25 5554.15 292.39 o
-15 2 1 11047.99 11712.41 970.25 o
-13 2 1 11706.58 11929.29 216.28 o
-11 2 1 12080.24 12550.80 156.52 o
-9 2 1 13835.84 14301.07 155.50 o
-7 2 1 20440.21 21211.88 195.37 o
-5 2 1 36819.26 37371.77 295.48 o
-3 2 1 28116.58 28906.03 228.35 o
-1 2 1 31762.88 30895.07 221.56 o
1 2 1 29434.67 29241.09 267.05 o
3 2 1 30159.63 30443.86 318.75 o
5 2 1 34728.96 35770.90 421.32 o
7 2 1 22036.12 23344.25 321.37 o
9 2 1 12759.61 13519.80 217.43 o
11 2 1 12952.07 13921.92 275.59 o
13 2 1 10864.21 11173.78 236.09 o
15 2 1 11834.54 12840.95 371.26 o
17 2 1 5022.45 5765.38 274.51 o
19 2 1 4792.99 4851.46 286.92 o
-20 3 1 425.27 535.04 163.72 o
-18 3 1 321.40 125.79 131.44 o
-16 3 1 372.28 357.40 151.92 o
-14 3 1 753.28 665.96 78.22 o
-12 3 1 618.38 686.32 50.98 o
-10 3 1 402.70 469.78 29.26 o
-8 3 1 4091.19 4256.90 70.34 o
-6 3 1 2934.49 2818.05 44.39 o
-4 3 1 2606.78 2564.19 39.96 o
-2 3 1 923.67 878.90 22.15 o
0 3 1 1038.10 990.45 23.80 o
2 3 1 1017.53 1026.90 29.94 o
4 3 1 2904.83 2897.99 50.16 o
6 3 1 2622.12 2619.91 70.74 o
8 3 1 4478.20 4540.99 89.99 o
10 3 1 380.07 506.22 48.84 o
12 3 1 544.96 471.45 91.79 o
14 3 1 858.03 926.50 64.35 o
16 3 1 330.58 426.85 128.42 o
18 3 1 365.95 313.04 357.08 o
20 3 1 373.87 259.81 157.21 o
-19 4 1 6130.40 6060.86 316.51 o
-17 4 1 6636.76 7321.44 323.18 o
-15 4 1 2290.04 2158.95 181.49 o
-13 4 1 4716.58 5076.09 139.27 o
-11 4 1 6038.34 6040.74 130.56 o
-9 4 1 13334.92 13568.91 176.74 o
-7 4 1 12696.36 13065.21 148.96 o
-5 4 1 18120.23 18200.30 159.28 o
-3 4 1 41954.92 41356.26 388.68 o
-1 4 1 68895.30 66793.42 517.20 o
1 4 1 66903.15 64404.48 518.28 o
3 4 1 43712.37 42211.86 484.25 o
5 4 1 17190.27 17802.31 256.92 o
7 4 1 13414.24 14013.64 668.45 o
9 4 1 12588.22 12680.97 175.71 o
11 4 1 6490.24 6584.58 123.85 o
13 4 1 4369.43 4685.77 112.18 o
15 4 1 2523.98 2529.03 122.86 o
17 4 1 6280.84 6504.17 285.45 o
19 4 1 6456.51 6296.28 305.20 o
-20 5 1 425.56 394.67 234.92 o
-18 5 1 484.82 475.74 167.58 o
-16 5 1 527.37 499.76 137.11 o
-14 5 1 1430.51 1505.00 123.80 o
-12 5 1 774.05 845.92 90.88 o
-10 5 1 905.58 862.47 44.88 o
-8 5 1 5067.29 4928.76 109.83 o
-6 5 1 1727.36 1804.94 48.02 o
-4 5 1 2010.89 2014.36 47.51 o
-2 5 1 2723.51 2744.06 48.64 o
0 5 1 1316.43 1255.66 50.91 o
2 5 1 2392.25 2299.77 91.23 o
4 5 1 1773.66 1735.31 46.06 o
6 5 1 1965.09 2011.06 55.79 o
8 5 1 4543.29 4590.52 107.84 o
10 5 1 864.34 700.35 90.31 o
12 5 1 850.05 801.79 100.10 o
14 5 1 1255.91 1374.28 94.44 o
16 5 1 508.20 399.58 119.66 o
18 5 1 441.26 226.84 128.67 o
20 5 1 426.01 296.17 103.94 o
-19 6 1 2996.59 3078.78 327.39 o
-17 6 1 5199.47 5273.58 284.20 o
-15 6 1 6724.35 6873.72 190.45 o
-13 6 1 8542.74 8338.48 235.93 o
-11 6 1 5804.32 5737.41 131.97 o
-9 6 1 9559.02 9599.68 122.90 o
-7 6 1 13068.22 13417.17 173.87 o
-5 6 1 31854.32 31926.31 308.30 o
-3 6 1 24406.43 24263.90 255.22 o
-1 6 1 22947.54 21650.29 272.58 o
1 6 1 22423.44 21739.33 244.82 o
3 6 1 24909.64 24166.88 269.50 o
5 6 1 31288.29 31438.67 375.58 o
7 6 1 13438.08 13708.46 204.42 o
9 6 1 9270.80 9644.12 274.96 o
11 6 1 5994.00 6088.14 244.47 o
13 6 1 8319.10 8059.21 266.46 o
15 6 1 6921.45 6672.45 242.42 o
17 6 1 5063.70 5137.56 407.20 o
19 6 1 3094.85 3105.66 157.47 o
-18 7 1 1511.04 1645.66 197.10 o
-16 7 1 873.99 698.32 151.71 o
-14 7 1 1507.52 1582.99 159.07 o
-12 7 1 1346.02 1425.57 78.15 o
-10 7 1 1008.81 1036.16 67.96 o
-8 7 1 2225.46 2378.18 113.80 o
-6 7 1 2018.11 2020.34 64.42 o
-4 7 1 3643.89 3708.54 91.58 o
-2 7 1 3089.28 3103.95 80.24 o
0 7 1 1829.64 1922.92 65.05 o
2 7 1 3518.72 3558.31 78.38 o
4 7 1 3215.50 3147.50 84.97 o
6 7 1 2286.50 2301.14 56.21 o
8 7 1 1969.24 1907.71 57.91 o
10 7 1 1093.77 1027.50 156.63 o
12 7 1 1191.51 1120.09 150.36 o
14 7 1 1332.02 1409.24 83.27 o
16 7 1 986.96 993.72 58.53 o
18 7 1 1336.46 1130.34 82.90 o
-19 8 1 3660.09 4013.18 379.10 o
-17 8 1 4324.38 4270.22 268.86 o
-15 8 1 6451.74 6164.59 154.56 o
-13 8 1 9750.96 9933.04 203.80 o
-11 8 1 18769.13 18843.08 302.70 o
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-5 8 1 6641.41 6524.78 120.41 o
-3 8 1 9175.67 9060.57 169.07 o
-1 8 1 11271.97 10978.90 190.62 o
1 8 1 11423.71 10957.06 163.02 o
3 8 1 9151.69 8886.59 142.12 o
5 8 1 6714.91 6679.50 122.36 o
7 8 1 17236.51 17291.58 245.80 o
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13 8 1 9855.00 9646.20 296.82 o
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-18 9 1 771.09 887.85 169.35 o
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-12 9 1 926.00 1017.46 69.49 o
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-6 9 1 1239.01 1244.63 62.87 o
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0 9 1 1377.01 1444.48 88.59 o
2 9 1 2825.57 2801.47 132.98 o
4 9 1 2272.24 2225.61 105.46 o
6 9 1 1214.09 1261.41 62.85 o
8 9 1 1211.35 1289.33 84.60 o
10 9 1 999.51 971.83 81.79 o
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14 9 1 806.32 843.99 97.67 o
16 9 1 742.09 721.98 129.22 o
18 9 1 877.54 554.44 241.20 o
-19 10 1 2443.73 2471.46 379.07 o
-17 10 1 4544.31 4832.74 328.84 o
-15 10 1 7811.82 7802.35 197.75 o
-13 10 1 8927.19 8911.17 192.18 o
-11 10 1 7504.45 7815.68 175.61 o
-9 10 1 8380.02 8217.77 225.01 o
-7 10 1 11532.08 11310.48 224.72 o
-5 10 1 17028.82 16684.73 273.87 o
-3 10 1 12034.13 11858.08 214.14 o
-1 10 1 7179.13 7079.33 151.50 o
1 10 1 7602.58 7667.51 128.41 o
3 10 1 11511.16 11165.04 234.63 o
5 10 1 17650.16 17420.71 267.24 o
7 10 1 11054.53 10892.55 259.75 o
9 10 1 8762.12 8652.07 190.67 o
11 10 1 7188.09 7215.32 202.42 o
13 10 1 9281.18 9277.08 297.68 o
15 10 1 7512.29 7039.44 262.41 o
17 10 1 4732.40 4831.05 419.87 o
-18 11 1 642.19 510.58 225.53 o
-16 11 1 392.84 355.98 253.71 o
-14 11 1 1021.60 954.75 252.17 o
-12 11 1 491.98 640.91 105.12 o
-10 11 1 557.84 557.14 96.60 o
-8 11 1 2791.21 3204.12 256.45 o
-6 11 1 2097.88 2108.91 139.94 o
-4 11 1 1720.26 1752.91 107.93 o
-2 11 1 891.26 920.01 85.29 o
0 11 1 942.97 894.43 59.22 o
2 11 1 923.55 830.48 61.04 o
4 11 1 1957.27 1925.48 85.49 o
6 11 1 1849.15 1677.22 76.43 o
8 11 1 3116.82 3094.03 82.44 o
10 11 1 560.08 459.94 76.43 o
12 11 1 463.32 427.24 67.55 o
14 11 1 1161.47 976.32 110.70 o
16 11 1 366.39 306.91 121.67 o
-17 12 1 4631.56 4425.50 270.86 o
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