#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:49:14 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181917 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/16/2241609.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2241609
_cell_angle_alpha                90.000
_cell_angle_beta                 105.608
_cell_angle_gamma                90.000
_cell_length_a                   10.5797
_cell_length_b                   14.5528
_cell_length_c                   6.6441
_exptl_crystal_F_000             1162.48
_reflns_d_resolution_high        0.7835
_cod_data_source_file            br2258Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  gues7 in C 2/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            495.31
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
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 0 112.86 -27.74 59.39 o
4 0 0 7973.61 6349.97 160.83 o
6 0 0 49033.23 54985.35 523.50 o
8 0 0 12502.84 12946.86 334.60 o
10 0 0 55434.44 54624.92 919.58 o
12 0 0 28135.01 26547.28 594.23 o
1 1 0 6092.65 5814.68 103.22 o
3 1 0 32.62 14.00 58.31 o
5 1 0 450.49 176.28 85.79 o
7 1 0 624.49 564.26 70.77 o
9 1 0 7714.78 7775.32 203.70 o
11 1 0 1692.33 1768.98 78.24 o
0 2 0 28425.37 26764.91 351.67 o
2 2 0 303.82 186.69 116.93 o
4 2 0 2134.57 1612.96 96.18 o
6 2 0 2910.44 2629.16 149.97 o
8 2 0 1039.58 1039.01 175.09 o
10 2 0 13962.04 13804.96 533.96 o
12 2 0 40.69 -205.95 205.95 o
1 3 0 52021.12 50973.54 515.57 o
3 3 0 205162.08 203537.14 2056.08 o
5 3 0 715.30 383.22 66.56 o
7 3 0 15952.37 15877.12 386.12 o
9 3 0 4513.80 4787.63 245.08 o
11 3 0 28461.28 28847.68 582.68 o
0 4 0 251.23 274.39 217.12 o
2 4 0 1123.33 1048.02 64.18 o
4 4 0 960.14 985.94 60.36 o
6 4 0 5597.51 5555.82 215.74 o
8 4 0 1743.57 1944.77 194.64 o
10 4 0 632.61 689.67 183.63 o
12 4 0 187.07 398.09 202.56 o
1 5 0 22758.27 20565.35 343.29 o
3 5 0 52571.47 59648.29 541.93 o
5 5 0 10485.43 9287.32 256.66 o
7 5 0 9007.82 9461.04 447.33 o
9 5 0 939.03 845.76 266.76 o
11 5 0 9189.81 8728.83 373.49 o
0 6 0 212727.47 195814.55 1555.10 o
2 6 0 7536.90 9351.64 270.95 o
4 6 0 19367.01 20428.21 384.96 o
6 6 0 3205.23 3233.08 178.37 o
8 6 0 11005.31 10324.02 346.25 o
10 6 0 22515.58 22681.54 527.62 o
12 6 0 7491.86 7280.22 352.77 o
1 7 0 2153.48 2412.19 125.22 o
3 7 0 2405.04 2267.21 134.75 o
5 7 0 1071.32 1056.07 85.03 o
7 7 0 104.56 176.86 176.09 o
9 7 0 1369.34 1476.99 156.10 o
11 7 0 1405.39 1413.24 215.78 o
0 8 0 18817.52 18409.82 582.25 o
2 8 0 1918.92 2268.61 130.80 o
4 8 0 16342.96 16899.46 562.04 o
6 8 0 5197.84 5063.67 325.49 o
8 8 0 3.17 159.81 178.37 o
10 8 0 10927.18 11062.13 439.83 o
1 9 0 20760.94 21097.88 468.14 o
3 9 0 56339.56 54628.51 723.34 o
5 9 0 3449.89 3426.18 578.14 o
7 9 0 5900.21 6373.04 324.39 o
9 9 0 3048.39 3040.98 172.46 o
11 9 0 12093.38 11874.52 466.42 o
0 10 0 51123.66 52548.43 1062.88 o
2 10 0 2206.95 2576.00 164.47 o
4 10 0 4481.84 4659.78 340.33 o
6 10 0 3405.87 3670.00 188.43 o
8 10 0 6673.02 6651.23 362.73 o
10 10 0 821.06 834.88 246.27 o
1 11 0 29102.98 29868.14 604.92 o
3 11 0 188.02 439.17 225.21 o
5 11 0 2945.06 2928.63 182.49 o
7 11 0 395.07 493.85 206.98 o
9 11 0 9390.50 9782.71 495.22 o
0 12 0 81479.52 84644.57 1434.43 o
2 12 0 246.13 435.59 233.86 o
4 12 0 901.57 1000.57 111.65 o
6 12 0 10386.51 9237.25 427.17 o
8 12 0 402.59 811.55 218.47 o
1 13 0 10936.82 11607.36 457.27 o
3 13 0 9443.23 10052.03 416.01 o
5 13 0 1506.76 1317.60 129.91 o
7 13 0 117.13 232.80 216.57 o
9 13 0 288.93 379.01 286.94 o
0 14 0 13719.98 14839.82 701.62 o
2 14 0 657.25 422.77 242.31 o
4 14 0 7949.91 8568.82 674.05 o
6 14 0 5263.02 5888.19 314.69 o
8 14 0 251.74 137.51 377.72 o
1 15 0 251.22 748.14 191.70 o
3 15 0 9121.44 9379.37 704.28 o
5 15 0 1023.34 1044.03 263.46 o
7 15 0 1375.64 1369.99 574.21 o
0 16 0 21736.00 22335.82 880.71 o
2 16 0 1866.65 1819.17 132.53 o
4 16 0 7321.84 7288.47 350.46 o
6 16 0 4.02 401.01 413.18 o
1 17 0 3186.01 3102.78 194.14 o
3 17 0 3854.00 4042.60 220.23 o
5 17 0 4432.18 4979.60 235.44 o
0 18 0 7795.92 7762.72 527.58 o
2 18 0 239.27 -67.67 279.75 o
-12 0 1 8575.08 8763.77 375.27 o
-10 0 1 7971.31 8060.88 917.90 o
-8 0 1 50309.80 47989.07 1219.03 o
-6 0 1 8257.49 9023.69 321.36 o
-4 0 1 79735.29 71486.22 494.94 o
-2 0 1 149.05 -9.72 62.23 o
0 0 1 39835.77 45436.87 232.66 o
2 0 1 24614.95 22947.64 235.72 o
4 0 1 12103.71 11271.32 217.38 o
6 0 1 170929.66 171200.72 1967.35 o
8 0 1 21266.51 21374.77 724.03 o
10 0 1 1969.71 1998.81 104.92 o
12 0 1 2392.09 2284.54 134.45 o
-13 1 1 463.38 700.81 106.33 o
-11 1 1 75.42 17.71 119.30 o
-9 1 1 114.73 -110.82 137.84 o
-7 1 1 12747.87 12932.94 286.31 o
-5 1 1 60.15 26.26 76.32 o
-3 1 1 34769.34 34510.77 233.38 o
-1 1 1 165.96 251.89 24.77 o
1 1 1 4015.15 3257.34 70.05 o
3 1 1 736.74 595.04 32.57 o
5 1 1 2547.46 2966.26 215.82 o
7 1 1 5068.92 4808.53 159.47 o
9 1 1 2468.03 2622.18 176.57 o
11 1 1 1594.73 1704.07 81.65 o
-12 2 1 53.22 46.71 196.83 o
-10 2 1 193.79 106.03 383.87 o
-8 2 1 12454.42 12157.95 329.17 o
-6 2 1 10355.27 10384.83 252.56 o
-4 2 1 39986.29 40615.66 402.31 o
-2 2 1 11459.74 9418.95 233.22 o
0 2 1 4223.79 4089.86 110.79 o
2 2 1 4476.40 3876.62 217.50 o
4 2 1 12991.05 13565.56 250.75 o
6 2 1 2558.27 2710.14 260.41 o
8 2 1 10518.54 10197.85 318.86 o
10 2 1 1366.71 1298.02 95.98 o
12 2 1 2157.09 2118.19 150.66 o
-13 3 1 481.22 39.07 222.24 o
-11 3 1 6513.61 6722.98 312.15 o
-9 3 1 17030.42 16274.05 402.68 o
-7 3 1 104496.77 102469.72 1303.75 o
-5 3 1 13305.35 13516.89 280.45 o
-3 3 1 4313.12 3854.54 200.32 o
-1 3 1 12133.22 15129.76 237.43 o
1 3 1 9.56 315.18 94.63 o
3 3 1 113877.58 107700.63 859.89 o
5 3 1 2160.63 2310.45 209.68 o
7 3 1 43225.09 43115.18 565.44 o
9 3 1 13758.30 13598.88 387.75 o
11 3 1 4719.97 5023.20 495.52 o
-12 4 1 234.34 350.59 187.29 o
-10 4 1 597.36 411.38 175.60 o
-8 4 1 2385.42 2276.59 118.50 o
-6 4 1 2160.13 2405.91 131.51 o
-4 4 1 11166.54 12315.07 290.56 o
-2 4 1 16088.48 16185.59 329.79 o
0 4 1 8867.22 9891.16 351.83 o
2 4 1 1429.67 2005.61 101.10 o
4 4 1 398.58 486.82 53.73 o
6 4 1 135.20 169.02 370.11 o
8 4 1 6617.88 6729.20 282.89 o
10 4 1 271.23 258.87 322.92 o
12 4 1 395.14 526.56 136.49 o
-11 5 1 1424.33 1441.56 106.47 o
-9 5 1 2585.28 2611.06 139.32 o
-7 5 1 12802.19 12779.23 431.83 o
-5 5 1 18264.25 18992.69 381.18 o
-3 5 1 11891.11 9851.22 291.54 o
-1 5 1 839.51 1024.00 72.34 o
1 5 1 13775.99 13060.50 253.14 o
3 5 1 54328.69 57641.90 526.40 o
5 5 1 1137.46 1245.26 73.17 o
7 5 1 19613.34 19893.94 419.11 o
9 5 1 10.12 405.29 146.72 o
11 5 1 3317.76 3338.05 190.47 o
-12 6 1 8000.85 8839.69 413.80 o
-10 6 1 15436.94 15226.92 450.90 o
-8 6 1 25530.65 25395.58 540.79 o
-6 6 1 217.59 58.33 181.24 o
-4 6 1 86049.60 85920.57 1556.33 o
-2 6 1 642.83 469.98 158.45 o
0 6 1 7282.76 7198.47 230.22 o
2 6 1 757.41 454.54 73.96 o
4 6 1 20235.98 19701.75 363.36 o
6 6 1 61594.36 60060.06 677.67 o
8 6 1 11232.03 11365.92 364.39 o
10 6 1 4035.07 4065.80 266.01 o
-11 7 1 3918.26 3642.11 301.59 o
-9 7 1 243.23 454.29 177.37 o
-7 7 1 1065.45 716.71 214.03 o
-5 7 1 9090.89 9560.84 339.55 o
-3 7 1 3704.33 3615.83 206.55 o
-1 7 1 486.36 387.81 166.58 o
1 7 1 5621.47 5835.35 384.12 o
3 7 1 1460.23 1482.46 85.18 o
5 7 1 3553.21 3807.50 388.11 o
7 7 1 896.13 872.82 88.48 o
9 7 1 484.79 517.96 242.20 o
11 7 1 471.62 461.02 234.54 o
-12 8 1 241.61 569.43 236.87 o
-10 8 1 1048.49 555.17 235.89 o
-8 8 1 22015.34 23343.02 541.26 o
-6 8 1 8014.60 8072.23 340.62 o
-4 8 1 43667.59 44125.43 1364.45 o
-2 8 1 7127.64 6292.52 303.66 o
0 8 1 168.33 135.24 268.57 o
2 8 1 8260.80 7815.82 276.43 o
4 8 1 21305.32 21521.33 431.76 o
6 8 1 9442.11 9459.35 343.58 o
8 8 1 7723.81 7638.25 342.06 o
10 8 1 3096.07 3000.96 163.61 o
-11 9 1 1187.30 1382.24 126.29 o
-9 9 1 7341.88 8210.69 398.60 o
-7 9 1 38113.78 39760.11 704.46 o
-5 9 1 5316.20 5165.73 264.56 o
-3 9 1 404.67 414.70 253.84 o
-1 9 1 14718.34 17052.49 737.33 o
1 9 1 498.66 457.38 219.65 o
3 9 1 57425.05 56814.43 714.82 o
5 9 1 873.42 1003.38 95.72 o
7 9 1 24264.53 24363.85 540.64 o
9 9 1 11201.97 10555.68 405.67 o
-10 10 1 888.03 518.78 334.10 o
-8 10 1 12665.95 12940.12 705.56 o
-6 10 1 5024.32 4893.32 256.92 o
-4 10 1 382.98 391.91 230.84 o
-2 10 1 7795.29 8073.62 625.26 o
0 10 1 8887.88 9770.58 361.13 o
2 10 1 10852.78 10777.91 552.61 o
4 10 1 1747.07 1973.28 147.01 o
6 10 1 16695.54 17428.70 479.10 o
8 10 1 435.71 401.09 218.06 o
10 10 1 167.38 177.54 271.05 o
-9 11 1 792.27 625.32 383.52 o
-7 11 1 28757.53 30767.94 683.31 o
-5 11 1 8501.42 8653.98 405.35 o
-3 11 1 26913.63 26936.35 602.33 o
-1 11 1 816.92 774.64 238.36 o
1 11 1 1007.44 722.15 228.45 o
3 11 1 14750.58 14415.17 545.20 o
5 11 1 13.59 -197.29 197.29 o
7 11 1 26806.72 27269.97 1288.75 o
9 11 1 836.72 981.05 120.20 o
-10 12 1 2544.44 2454.24 151.30 o
-8 12 1 7062.27 6961.49 346.82 o
-6 12 1 901.82 1002.71 165.30 o
-4 12 1 14377.25 15289.87 749.34 o
-2 12 1 189.17 420.62 321.92 o
0 12 1 10785.69 10666.34 412.84 o
2 12 1 104.45 389.10 214.80 o
4 12 1 3406.26 3323.26 184.39 o
6 12 1 32358.31 32151.17 693.03 o
8 12 1 2476.52 2328.75 157.81 o
-9 13 1 2174.89 2332.38 157.89 o
-7 13 1 10504.87 10102.46 488.60 o
-5 13 1 9032.99 9301.55 437.66 o
-3 13 1 79.75 -88.67 213.16 o
-1 13 1 398.08 83.17 208.73 o
1 13 1 4693.14 4745.70 772.29 o
3 13 1 14771.97 12997.87 473.59 o
5 13 1 1252.33 1429.55 373.66 o
7 13 1 8040.30 8124.51 423.45 o
-8 14 1 10540.01 11881.94 885.45 o
-6 14 1 5946.24 6029.57 314.55 o
-4 14 1 25537.34 25534.43 997.10 o
-2 14 1 1561.34 1418.31 210.49 o
0 14 1 1657.31 1799.97 168.32 o
2 14 1 3780.04 4429.83 339.45 o
4 14 1 11793.47 10933.83 468.79 o
6 14 1 9234.27 10021.55 585.66 o
-7 15 1 8347.31 8716.67 437.89 o
-5 15 1 412.86 769.48 184.63 o
-3 15 1 114.26 -96.18 257.57 o
-1 15 1 2155.43 2057.15 172.98 o
1 15 1 108.49 414.84 344.48 o
3 15 1 8281.05 8064.06 438.98 o
5 15 1 361.02 -154.78 253.80 o
7 15 1 2486.10 2491.87 381.25 o
-6 16 1 0.32 -315.68 315.68 o
-4 16 1 8732.83 8906.43 448.23 o
-2 16 1 3537.70 3347.03 391.76 o
0 16 1 562.53 389.21 537.59 o
2 16 1 3595.76 3800.52 201.22 o
4 16 1 9565.59 9035.01 419.74 o
-5 17 1 2799.33 2804.31 313.63 o
-3 17 1 9574.14 10251.51 511.77 o
-1 17 1 64.00 -248.33 248.33 o
1 17 1 209.47 137.50 597.33 o
3 17 1 8650.13 8415.78 543.42 o
-2 18 1 51.71 -277.57 277.57 o
0 18 1 1665.50 1894.95 138.23 o
2 18 1 12.95 -284.23 284.23 o
-12 0 2 11148.54 11353.44 762.38 o
-10 0 2 337.05 180.08 163.39 o
-8 0 2 28.07 -127.21 168.72 o
-6 0 2 19555.80 17826.01 314.57 o
-4 0 2 26009.24 21303.42 302.57 o
-2 0 2 53944.02 54664.53 413.82 o
0 0 2 20757.62 21826.79 241.83 o
2 0 2 12175.42 10085.72 200.72 o
4 0 2 6027.55 5499.85 188.12 o
6 0 2 11314.51 10941.99 293.99 o
8 0 2 969.67 990.41 80.46 o
10 0 2 22461.60 22682.41 532.10 o
-13 1 2 1.80 -148.48 148.48 o
-11 1 2 12352.58 11876.85 275.82 o
-9 1 2 0.94 11.69 109.29 o
-7 1 2 878.69 814.78 137.25 o
-5 1 2 700.05 870.50 100.38 o
-3 1 2 2102.73 1891.03 64.93 o
-1 1 2 20660.95 21415.09 170.39 o
1 1 2 17428.67 18055.31 271.15 o
3 1 2 22717.04 22413.18 218.78 o
5 1 2 51.85 -52.69 86.29 o
7 1 2 2078.02 2249.87 91.38 o
9 1 2 6.82 92.59 113.28 o
11 1 2 4364.81 4113.70 156.98 o
-12 2 2 9493.06 9492.43 671.67 o
-10 2 2 5692.72 5585.45 268.74 o
-8 2 2 6233.75 6367.01 250.53 o
-6 2 2 229.57 416.99 157.98 o
-4 2 2 4087.84 4093.88 191.10 o
-2 2 2 2958.91 3010.59 127.54 o
0 2 2 82495.15 85364.85 666.40 o
2 2 2 8707.47 9199.10 195.03 o
4 2 2 14028.16 12880.30 268.46 o
6 2 2 3736.07 4155.56 207.11 o
8 2 2 13.60 225.34 169.92 o
10 2 2 8218.37 8167.01 340.51 o
-13 3 2 13623.61 13293.19 1050.54 o
-11 3 2 14995.02 14786.92 510.59 o
-9 3 2 190.48 157.00 169.25 o
-7 3 2 3134.92 3374.00 178.07 o
-5 3 2 44145.11 43736.78 624.15 o
-3 3 2 6386.49 6627.06 205.56 o
-1 3 2 245329.69 241154.80 2329.29 o
1 3 2 2358.82 2416.19 265.58 o
3 3 2 1285.01 1151.80 59.79 o
5 3 2 70.52 277.78 141.40 o
7 3 2 5345.31 5570.12 261.38 o
9 3 2 32944.24 33028.53 598.79 o
11 3 2 10387.93 10557.38 417.52 o
-12 4 2 632.00 774.92 129.15 o
-10 4 2 1608.05 1532.13 100.18 o
-8 4 2 3160.26 3184.79 169.20 o
-6 4 2 888.62 1097.44 91.34 o
-4 4 2 49.38 206.39 166.09 o
-2 4 2 2853.40 2937.87 152.99 o
0 4 2 362.35 81.29 98.52 o
2 4 2 1663.98 1933.11 99.81 o
4 4 2 8717.72 8335.03 344.98 o
6 4 2 446.36 526.65 75.78 o
8 4 2 219.67 179.89 168.13 o
10 4 2 110.92 -65.21 190.10 o
-13 5 2 1517.51 1437.55 174.11 o
-11 5 2 17280.88 17554.35 793.17 o
-9 5 2 1465.61 1582.58 159.80 o
-7 5 2 14362.48 13960.27 804.93 o
-5 5 2 370.17 602.18 194.82 o
-3 5 2 18773.21 20181.06 392.95 o
-1 5 2 2835.61 1793.11 89.87 o
1 5 2 3466.95 2972.05 150.06 o
3 5 2 69684.46 71080.13 623.38 o
5 5 2 3557.50 3397.26 172.31 o
7 5 2 697.46 460.10 223.12 o
9 5 2 1007.77 1230.11 285.34 o
11 5 2 4805.44 4751.97 262.41 o
-12 6 2 5135.57 5503.62 288.73 o
-10 6 2 4477.81 4513.34 294.98 o
-8 6 2 2743.64 2793.94 149.50 o
-6 6 2 33934.26 34364.69 632.09 o
-4 6 2 119134.55 116183.64 1522.48 o
-2 6 2 14774.43 13793.36 327.17 o
0 6 2 2272.69 1904.13 109.93 o
2 6 2 67304.95 71278.92 632.44 o
4 6 2 10201.21 9970.13 288.54 o
6 6 2 26827.74 27373.49 492.17 o
8 6 2 2828.62 2667.83 153.56 o
10 6 2 11218.52 11560.68 527.83 o
-11 7 2 1455.71 1419.07 113.63 o
-9 7 2 83.36 217.54 205.79 o
-7 7 2 1092.32 633.13 257.52 o
-5 7 2 5758.15 6016.01 301.94 o
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1 7 2 4728.56 5399.50 213.44 o
3 7 2 34.50 -87.24 139.79 o
5 7 2 879.09 851.79 85.00 o
7 7 2 5865.38 5192.73 227.49 o
9 7 2 387.99 201.22 199.29 o
-12 8 2 14248.12 15396.56 631.29 o
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-2 8 2 2640.67 2359.42 140.68 o
0 8 2 75301.27 74371.37 1074.61 o
2 8 2 20047.92 20746.65 413.33 o
4 8 2 20217.79 20162.45 437.28 o
6 8 2 7.49 -23.59 162.21 o
8 8 2 382.23 76.12 192.96 o
10 8 2 11996.01 12158.23 490.28 o
-11 9 2 6998.34 7756.87 421.93 o
-9 9 2 108.86 92.50 242.56 o
-7 9 2 6807.78 7052.14 387.10 o
-5 9 2 11512.21 12331.19 444.84 o
-3 9 2 3777.67 3605.66 222.09 o
-1 9 2 93529.57 89491.56 903.67 o
1 9 2 232.48 188.41 169.75 o
3 9 2 786.26 702.37 111.14 o
5 9 2 1484.55 1842.07 119.04 o
7 9 2 1295.21 1276.63 101.58 o
9 9 2 26710.74 27821.11 666.60 o
-10 10 2 50.18 -245.57 254.17 o
-8 10 2 775.49 594.08 159.42 o
-6 10 2 373.71 482.42 383.14 o
-4 10 2 476.85 589.89 257.90 o
-2 10 2 5112.77 4743.26 468.76 o
0 10 2 776.79 941.96 246.49 o
2 10 2 794.12 853.30 97.98 o
4 10 2 962.42 1071.77 323.16 o
6 10 2 905.89 974.27 412.03 o
8 10 2 14.55 -96.21 219.49 o
-9 11 2 750.80 568.64 271.75 o
-7 11 2 155.28 66.62 229.17 o
-5 11 2 141.14 397.71 480.18 o
-3 11 2 7408.23 7701.02 394.01 o
-1 11 2 61502.72 58044.58 833.00 o
1 11 2 6172.68 6201.02 311.36 o
3 11 2 30587.41 30247.39 601.46 o
5 11 2 773.99 907.34 186.43 o
7 11 2 26.46 -174.32 212.50 o
9 11 2 3632.16 3545.49 212.11 o
-10 12 2 334.39 228.70 315.69 o
-8 12 2 105.97 190.49 284.46 o
-6 12 2 6232.25 6312.48 556.67 o
-4 12 2 16186.29 16839.68 622.55 o
-2 12 2 10002.91 9652.45 409.48 o
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