#------------------------------------------------------------------------------
#$Date: 2018-12-18 05:20:14 +0200 (Tue, 18 Dec 2018) $
#$Revision: 212635 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/27/2242786.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_2242786
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   14.0947
_cell_length_b                   14.0947
_cell_length_c                   18.0603
_exptl_crystal_F_000             1758.00
_reflns_d_resolution_high        0.6598
_cod_data_source_file            hb7788Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' KCKK35_0m_a.res in R-3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            508.42
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -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
-1 2 0 176169.27 183486.23 1632.62 o
0 3 0 15822.15 17323.85 161.16 o
-2 4 0 109772.45 109503.13 572.25 o
-4 5 0 78104.89 78842.15 464.72 o
-1 5 0 93140.78 92379.26 575.17 o
-3 6 0 71900.09 70339.53 541.24 o
0 6 0 158395.11 158527.91 1015.55 o
-5 7 0 124784.66 123153.15 689.38 o
-2 7 0 65806.23 65817.33 521.26 o
-7 8 0 167267.63 167901.02 943.91 o
-4 8 0 30188.23 28189.64 348.21 o
-1 8 0 102712.19 104175.20 711.50 o
-6 9 0 72662.44 71703.84 534.23 o
-3 9 0 61984.83 62587.44 551.37 o
0 9 0 55004.55 55230.19 517.94 o
-8 10 0 40226.18 41373.04 453.67 o
-5 10 0 38970.27 38114.63 452.76 o
-2 10 0 89647.23 89443.36 723.71 o
-10 11 0 46218.64 44985.22 527.55 o
-7 11 0 38568.91 39328.51 411.41 o
-4 11 0 41483.85 41727.73 495.18 o
-1 11 0 57094.53 56777.69 553.47 o
-9 12 0 41686.54 41354.65 489.29 o
-6 12 0 35795.20 35655.91 481.60 o
-3 12 0 29232.94 29955.78 416.83 o
0 12 0 42449.98 43088.85 551.32 o
-11 13 0 13837.61 14007.26 381.56 o
-8 13 0 54072.94 53347.16 560.80 o
-5 13 0 17490.17 18194.27 381.30 o
-2 13 0 16607.99 16948.31 388.85 o
-13 14 0 19413.43 19776.55 484.92 o
-10 14 0 14637.22 15124.56 389.41 o
-7 14 0 34444.71 35344.91 609.61 o
-4 14 0 29806.23 30431.71 494.85 o
-1 14 0 26704.13 27052.18 560.44 o
-12 15 0 17581.02 18333.23 425.44 o
-9 15 0 26391.22 26531.56 411.89 o
-6 15 0 32269.44 32261.46 652.17 o
-3 15 0 9202.57 9569.01 444.49 o
0 15 0 21675.72 22232.73 593.55 o
-14 16 0 12114.43 12303.87 357.34 o
-11 16 0 22506.56 22516.47 487.02 o
-8 16 0 23283.40 23095.27 479.02 o
-5 16 0 26582.35 26595.02 683.77 o
-2 16 0 16723.79 17279.86 664.00 o
-16 17 0 19010.63 19974.77 606.57 o
-13 17 0 20032.55 20826.99 520.06 o
-10 17 0 20277.48 21112.55 476.05 o
-7 17 0 24965.44 24199.68 607.89 o
-4 17 0 9382.26 9465.81 482.13 o
-1 17 0 20467.78 21933.39 689.69 o
-15 18 0 8282.27 8833.07 603.96 o
-12 18 0 12844.95 13032.37 466.67 o
-9 18 0 20286.16 20242.06 741.01 o
-6 18 0 13007.53 12426.89 633.84 o
-3 18 0 12722.85 12932.72 626.67 o
0 18 0 9550.14 9760.41 871.56 o
-17 19 0 10411.49 10219.55 653.14 o
-14 19 0 7029.21 7022.13 406.77 o
-11 19 0 12164.10 11688.43 624.57 o
-8 19 0 12596.13 12147.18 760.06 o
-5 19 0 7321.26 7866.39 762.79 o
-2 19 0 8176.57 7143.39 510.31 o
-16 20 0 6086.50 5426.14 516.52 o
-13 20 0 6522.70 6440.04 406.29 o
-10 20 0 6667.96 6479.27 668.78 o
-7 20 0 9301.34 9571.38 755.76 o
-4 20 0 5071.67 4791.80 832.96 o
-12 21 0 4175.30 3700.79 517.40 o
-9 21 0 6260.50 5591.03 621.45 o
-3 2 1 978.93 1161.49 56.26 o
0 2 1 2256.06 2341.50 109.04 o
-5 3 1 14230.05 13727.93 179.97 o
-2 3 1 9792.14 9285.55 132.71 o
1 3 1 483.08 544.14 46.56 o
-7 4 1 12175.08 12656.10 219.74 o
-4 4 1 1170.40 956.12 54.33 o
-1 4 1 43369.23 42251.17 299.44 o
2 4 1 105055.09 107407.80 615.40 o
-9 5 1 8804.85 8558.78 176.92 o
-6 5 1 1732.31 1969.61 89.93 o
-3 5 1 26857.90 26979.36 281.44 o
0 5 1 235.42 205.75 34.41 o
3 5 1 2480.38 2678.57 118.58 o
-11 6 1 4154.80 4252.32 199.20 o
-8 6 1 0.42 89.83 37.98 o
-5 6 1 1045.68 1323.70 74.56 o
-2 6 1 5603.30 7150.52 143.91 o
1 6 1 38.23 124.30 37.95 o
4 6 1 192.17 151.96 49.93 o
-13 7 1 3519.99 3643.90 188.99 o
-10 7 1 2457.28 2607.69 130.29 o
-7 7 1 1614.50 1690.64 98.54 o
-4 7 1 1265.35 1712.24 95.39 o
-1 7 1 11087.14 10616.27 182.64 o
2 7 1 6913.16 7298.03 207.56 o
5 7 1 948.44 780.23 91.68 o
-15 8 1 12.11 -28.56 75.10 o
-12 8 1 869.49 1152.97 97.97 o
-9 8 1 996.05 1241.78 94.94 o
-6 8 1 2319.42 2665.56 112.16 o
-3 8 1 227.29 235.27 43.68 o
0 8 1 318.49 357.41 50.88 o
3 8 1 105.61 2.80 48.12 o
6 8 1 260.95 194.83 71.26 o
-17 9 1 85.61 -48.49 101.99 o
-14 9 1 1343.56 1386.81 124.69 o
-11 9 1 1497.44 1302.77 107.56 o
-8 9 1 1177.17 1326.91 111.58 o
-5 9 1 2356.07 2706.43 130.49 o
-2 9 1 353.64 360.85 62.64 o
1 9 1 1303.08 1278.92 97.26 o
4 9 1 2473.68 2581.96 209.71 o
7 9 1 40.97 -21.64 85.52 o
-19 10 1 48.88 -134.26 164.26 o
-16 10 1 38.57 -37.30 101.53 o
-13 10 1 5914.53 6176.91 236.11 o
-10 10 1 1674.10 1681.66 120.20 o
-7 10 1 1888.39 1970.88 107.43 o
-4 10 1 388.30 284.98 61.12 o
-1 10 1 7382.47 7586.95 184.04 o
2 10 1 1120.48 1293.61 113.19 o
5 10 1 174.86 217.98 92.45 o
8 10 1 133.77 94.77 143.60 o
-21 11 1 259.84 -343.81 343.81 o
-18 11 1 19.72 -133.34 133.34 o
-15 11 1 17.48 -6.22 87.37 o
-12 11 1 1082.02 1023.68 133.40 o
-9 11 1 76.51 212.11 61.36 o
-6 11 1 1384.78 1355.88 100.85 o
-3 11 1 388.62 400.14 79.90 o
0 11 1 133.70 102.01 58.94 o
3 11 1 2231.57 2598.98 176.79 o
6 11 1 690.72 561.59 129.60 o
9 11 1 183.45 -182.05 205.01 o
-20 12 1 0.35 -263.35 263.35 o
-17 12 1 28.76 -163.64 188.14 o
-14 12 1 426.91 629.76 102.66 o
-11 12 1 3858.21 3872.77 195.09 o
-8 12 1 112.53 38.64 52.19 o
-5 12 1 6432.54 6170.92 290.15 o
-2 12 1 7896.23 7759.17 273.40 o
1 12 1 63.50 -6.03 91.79 o
4 12 1 49.55 -80.86 107.42 o
7 12 1 65.99 -105.18 158.66 o
-19 13 1 528.47 112.02 267.94 o
-16 13 1 607.51 422.23 181.73 o
-13 13 1 457.78 419.99 102.46 o
-10 13 1 2057.88 2091.18 155.40 o
-7 13 1 26.72 -44.36 64.45 o
-4 13 1 2727.78 2674.84 208.95 o
-1 13 1 273.16 295.19 115.00 o
2 13 1 248.93 270.42 126.62 o
5 13 1 23.56 7.88 136.10 o
8 13 1 228.14 -207.58 207.58 o
-18 14 1 5.52 -132.48 132.48 o
-15 14 1 30.29 -7.86 101.82 o
-12 14 1 453.62 400.91 96.31 o
-9 14 1 334.25 277.89 86.78 o
-6 14 1 601.11 537.96 99.12 o
-3 14 1 583.36 641.04 120.59 o
0 14 1 574.42 301.78 114.89 o
3 14 1 13.18 17.71 142.33 o
6 14 1 1427.15 783.88 275.91 o
-20 15 1 0.34 -317.12 317.12 o
-17 15 1 31.19 64.70 302.13 o
-14 15 1 323.75 236.25 114.81 o
-11 15 1 1519.24 1689.62 164.11 o
-8 15 1 1.40 -66.79 93.72 o
-5 15 1 469.92 324.40 150.17 o
-2 15 1 114.97 131.81 173.85 o
1 15 1 9.88 -185.40 185.40 o
4 15 1 199.38 252.80 218.95 o
-19 16 1 119.28 63.68 246.66 o
-16 16 1 270.27 543.42 163.72 o
-13 16 1 171.56 -7.92 111.85 o
-10 16 1 377.91 321.28 102.50 o
-7 16 1 322.27 294.70 125.29 o
-4 16 1 72.52 -83.88 179.57 o
-1 16 1 235.87 154.18 176.63 o
2 16 1 278.56 -142.19 224.54 o
-18 17 1 11.88 75.09 215.53 o
-15 17 1 133.89 226.22 128.72 o
-12 17 1 65.81 -118.93 118.93 o
-9 17 1 403.56 651.50 144.47 o
-6 17 1 225.38 315.49 168.18 o
-3 17 1 131.96 210.98 173.98 o
0 17 1 11.35 -122.00 216.27 o
-17 18 1 78.61 -255.65 255.65 o
-14 18 1 64.77 -141.09 141.09 o
-11 18 1 18.07 -123.22 123.22 o
-8 18 1 166.43 109.36 189.67 o
-5 18 1 4.47 -79.97 187.56 o
-2 18 1 15.81 -87.08 169.70 o
-16 19 1 71.22 -222.49 235.92 o
-13 19 1 18.95 -103.43 162.63 o
-10 19 1 596.39 195.84 276.53 o
-7 19 1 93.17 -142.29 270.78 o
-4 19 1 12.18 -284.55 284.55 o
-15 20 1 625.49 497.27 242.15 o
-12 20 1 60.42 117.75 303.35 o
-9 20 1 136.81 -331.04 379.24 o
-6 20 1 27.55 -236.07 236.07 o
-11 21 1 325.93 -332.14 332.14 o
-8 21 1 0.19 -315.76 315.76 o
0 1 2 258492.94 265080.88 1789.76 o
-2 2 2 118442.88 118276.87 517.66 o
1 2 2 103502.56 103019.57 523.21 o
-4 3 2 140695.61 137168.42 634.80 o
-1 3 2 218139.11 216396.73 1150.09 o
2 3 2 69236.02 65043.82 438.90 o
-6 4 2 110890.29 109229.15 664.80 o
-3 4 2 68502.21 68060.72 441.51 o
0 4 2 98393.39 96190.45 602.87 o
3 4 2 31373.28 30172.31 323.47 o
-8 5 2 43314.93 42405.75 400.74 o
-5 5 2 180327.16 178334.06 789.61 o
-2 5 2 31473.80 30391.01 304.71 o
1 5 2 146958.17 150068.69 704.76 o
4 5 2 45771.00 44910.30 450.90 o
-10 6 2 54599.88 54387.09 513.41 o
-7 6 2 132101.53 130738.47 750.58 o
-4 6 2 59432.96 59061.86 462.30 o
-1 6 2 138683.88 139501.56 797.77 o
2 6 2 67605.52 68782.07 512.46 o
5 6 2 78962.97 79072.94 660.94 o
-12 7 2 45271.75 46074.55 525.77 o
-9 7 2 75907.49 75274.14 585.77 o
-6 7 2 68348.23 68552.64 533.33 o
-3 7 2 118922.33 116624.93 745.80 o
0 7 2 89605.16 89707.76 655.00 o
3 7 2 53069.22 53231.32 502.42 o
6 7 2 38985.92 39169.22 526.30 o
-14 8 2 28515.26 28436.67 468.50 o
-11 8 2 42217.37 42164.58 466.08 o
-8 8 2 76075.83 75894.26 563.68 o
-5 8 2 39099.88 38080.96 382.92 o
-2 8 2 94611.93 94575.38 759.69 o
1 8 2 83130.98 83994.53 766.66 o
4 8 2 43130.49 42757.38 493.85 o
7 8 2 20466.66 20599.56 392.68 o
-16 9 2 26452.74 26934.13 502.33 o
-13 9 2 26846.02 26628.44 411.30 o
-10 9 2 46507.19 46780.01 478.39 o
-7 9 2 88867.77 87462.26 620.52 o
-4 9 2 43526.52 42288.22 430.97 o
-1 9 2 89684.95 89473.70 743.86 o
2 9 2 28282.37 27897.55 398.81 o
5 9 2 15970.03 16257.63 343.99 o
8 9 2 17989.79 18238.10 450.51 o
-18 10 2 17612.00 16790.24 437.47 o
-15 10 2 28514.99 28842.87 490.24 o
-12 10 2 20882.56 20069.54 360.75 o
-9 10 2 52338.93 53439.88 521.10 o
-6 10 2 56060.36 55720.03 530.09 o
-3 10 2 51250.98 51365.10 641.55 o
0 10 2 45938.40 45769.76 516.81 o
3 10 2 22382.45 23475.40 411.33 o
6 10 2 24875.89 25361.11 468.78 o
9 10 2 12854.52 13100.83 622.95 o
-20 11 2 8126.23 7418.30 500.60 o
-17 11 2 16979.39 16187.88 465.52 o
-14 11 2 17804.52 17151.26 384.15 o
-11 11 2 66305.78 67525.70 679.19 o
-8 11 2 50601.67 51984.29 523.88 o
-5 11 2 57012.45 56324.92 545.86 o
-2 11 2 26558.16 26664.95 439.87 o
1 11 2 36240.98 36023.97 601.50 o
4 11 2 14770.57 15207.81 362.31 o
7 11 2 17032.99 17410.21 468.55 o
10 11 2 6477.10 5884.12 628.52 o
-19 12 2 9914.04 8283.38 522.35 o
-16 12 2 19752.99 20101.63 456.40 o
-13 12 2 25613.10 26463.26 455.77 o
-10 12 2 26772.03 26094.97 420.02 o
-7 12 2 40188.11 40159.61 500.22 o
-4 12 2 17863.81 18658.88 442.39 o
-1 12 2 46703.68 46556.13 716.07 o
2 12 2 29238.73 31016.06 682.27 o
5 12 2 19847.34 20920.29 663.56 o
8 12 2 6616.48 5851.79 381.57 o
-21 13 2 5038.25 5616.06 685.71 o
-18 13 2 10546.26 10004.28 553.03 o
-15 13 2 20136.43 20067.04 438.05 o
-12 13 2 26383.03 27127.48 442.56 o
-9 13 2 28452.57 27763.03 462.59 o
-6 13 2 37442.88 37123.50 566.94 o
-3 13 2 29421.72 30231.16 667.22 o
0 13 2 31830.41 31272.26 656.71 o
3 13 2 13230.83 13865.93 541.91 o
6 13 2 8845.70 8150.65 419.69 o
-20 14 2 9823.73 9654.37 714.07 o
-17 14 2 14060.87 14317.24 520.70 o
-14 14 2 16890.63 16895.30 425.05 o
-11 14 2 12554.03 12951.94 367.93 o
-8 14 2 32237.75 31777.44 484.77 o
-5 14 2 24766.21 24394.22 626.18 o
-2 14 2 24128.23 25257.90 621.91 o
1 14 2 12808.49 12884.18 577.68 o
4 14 2 14089.87 14171.54 648.33 o
-19 15 2 7575.63 7667.08 583.15 o
-16 15 2 12525.73 12546.18 373.00 o
-13 15 2 20165.88 20506.46 507.74 o
-10 15 2 27978.00 28212.68 488.75 o
-7 15 2 29161.10 28829.22 668.46 o
-4 15 2 20712.92 21464.41 885.36 o
-1 15 2 18913.33 18134.17 613.02 o
2 15 2 12149.98 13235.47 574.92 o
5 15 2 7135.04 8421.90 653.29 o
-18 16 2 15206.75 15601.41 621.70 o
-15 16 2 14537.62 14314.99 446.04 o
-12 16 2 21139.04 20678.88 505.96 o
-9 16 2 21822.07 22289.20 597.17 o
-6 16 2 27466.00 28044.73 782.71 o
-3 16 2 8600.07 7940.38 568.13 o
0 16 2 21434.68 22347.73 687.45 o
3 16 2 7439.44 7362.00 549.28 o
-17 17 2 12886.33 12226.88 616.17 o
-14 17 2 16335.96 16877.58 574.05 o
-11 17 2 17352.47 18158.16 569.23 o
-8 17 2 19746.09 19249.78 699.26 o
-5 17 2 17725.90 16828.72 653.69 o
-2 17 2 15503.96 15443.08 574.63 o
1 17 2 9735.29 9555.16 602.60 o
-16 18 2 9524.85 9378.76 466.40 o
-13 18 2 16934.91 18016.75 803.30 o
-10 18 2 13083.99 12609.74 458.88 o
-7 18 2 14220.34 13448.72 715.40 o
-4 18 2 10644.33 10340.06 637.45 o
-1 18 2 10180.92 10403.46 683.44 o
-15 19 2 6065.32 6148.98 456.15 o
-12 19 2 10488.79 10188.65 475.70 o
-9 19 2 8986.84 8069.76 673.86 o
-6 19 2 9677.81 9106.08 703.16 o
-3 19 2 7175.96 6885.52 626.92 o
-14 20 2 4053.09 3170.45 347.48 o
-11 20 2 8621.69 7924.27 652.66 o
-8 20 2 10230.08 8778.64 728.01 o
-5 20 2 6610.76 6287.14 633.80 o
-13 21 2 5603.74 4830.41 544.85 o
-10 21 2 8466.83 7975.92 783.35 o
0 0 3 14345.13 12628.35 313.66 o
1 1 3 19482.53 18179.70 174.71 o
-1 2 3 3457.12 2741.17 103.45 o
2 2 3 22.91 51.08 28.96 o
-3 3 3 2263.19 2140.76 73.98 o
0 3 3 10849.92 10780.46 146.80 o
3 3 3 55.42 95.74 37.91 o
-5 4 3 767.68 882.38 60.52 o
-2 4 3 8140.28 8632.55 155.41 o
1 4 3 5517.61 6054.60 117.83 o
4 4 3 291.64 226.44 47.81 o
-7 5 3 153.28 233.82 47.97 o
-4 5 3 2367.22 2406.53 118.94 o
-1 5 3 107.63 140.33 39.71 o
2 5 3 7306.08 6795.85 162.57 o
5 5 3 276.57 226.92 54.20 o
-9 6 3 6374.21 6579.58 184.00 o
-6 6 3 15008.18 14238.78 190.48 o
-3 6 3 804.81 728.41 64.35 o
0 6 3 21.10 57.33 39.32 o
3 6 3 78.91 32.87 43.92 o
6 6 3 93.40 136.27 71.73 o
-11 7 3 24.08 10.48 51.58 o
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-5 7 3 418.23 465.70 57.41 o
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1 7 3 217.50 128.85 40.01 o
4 7 3 954.34 860.84 89.37 o
7 7 3 2035.45 2115.94 160.70 o
-13 8 3 1242.26 1267.36 118.36 o
-10 8 3 1376.03 1437.27 106.43 o
-7 8 3 579.68 654.16 62.93 o
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-1 8 3 32.30 43.00 44.00 o
2 8 3 449.16 520.09 66.32 o
5 8 3 74.19 32.69 69.33 o
8 8 3 303.86 356.01 105.28 o
-15 9 3 292.26 325.11 97.60 o
-12 9 3 1220.37 1251.45 115.21 o
-9 9 3 1507.72 1558.94 114.23 o
-6 9 3 269.18 204.78 52.99 o
-3 9 3 4594.54 4552.94 211.13 o
0 9 3 5077.85 5189.05 212.98 o
3 9 3 180.99 291.90 78.61 o
6 9 3 1227.30 1105.76 132.20 o
9 9 3 4.20 -121.86 121.86 o
-17 10 3 1.93 -21.37 112.14 o
-14 10 3 726.21 415.92 130.81 o
-11 10 3 1647.14 1745.87 115.75 o
-8 10 3 307.23 282.69 65.44 o
-5 10 3 1298.04 1417.98 105.45 o
-2 10 3 3072.60 3154.46 188.25 o
1 10 3 548.20 540.99 107.76 o
4 10 3 548.12 401.95 105.96 o
7 10 3 55.37 -29.16 108.40 o
10 10 3 48.55 -171.82 171.82 o
-19 11 3 244.45 296.39 168.14 o
-16 11 3 1.95 -98.22 98.22 o
-13 11 3 1029.09 820.87 126.08 o
-10 11 3 3.35 20.78 54.21 o
-7 11 3 719.91 543.05 73.28 o
-4 11 3 1764.97 1599.81 137.99 o
-1 11 3 105.01 105.25 65.94 o
2 11 3 306.36 235.27 98.86 o
5 11 3 99.58 202.52 106.75 o
8 11 3 120.01 -34.98 145.28 o
-21 12 3 53.57 -256.57 256.57 o
-18 12 3 266.89 257.85 171.28 o
-15 12 3 623.70 388.74 139.38 o
-12 12 3 84.45 -69.18 69.18 o
-9 12 3 48.98 32.72 65.49 o
-6 12 3 2332.07 2096.21 154.12 o
-3 12 3 3217.21 3471.33 299.77 o
0 12 3 392.58 498.81 155.17 o
3 12 3 243.32 233.92 123.18 o
6 12 3 18.81 -121.25 121.25 o
9 12 3 1063.16 1002.27 331.49 o
-20 13 3 115.41 -149.98 285.81 o
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