#------------------------------------------------------------------------------
#$Date: 2011-11-08 16:24:06 +0200 (Tue, 08 Nov 2011) $
#$Revision: 29951 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/21/2232102.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_2232102_Fobs
loop_
_publ_author_name
'Asiri, Abdullah M.'
'Al-Youbi, Abdulrahman O.'
'Faidallah, Hassan M.'
'Alamry, Khalid A.'
'Ng, Seik Weng'
_publ_section_title
;
 (<i>E</i>)-1-(Naphthalen-1-yl)-3-(1-phenyl-1<i>H</i>-pyrazol-4-yl)prop-2-en-1-one
;
_journal_coeditor_code           XU5313
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2550
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 92.322
_cell_angle_gamma                90.000
_cell_length_a                   5.8457
_cell_length_b                   10.3220
_cell_length_c                   26.6264
_exptl_crystal_F_000             680.00
_reflns_d_resolution_high        0.7696
_[local]_cod_data_source_file    xu5313Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  P21/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            136.00
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_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
0 0 4 6194.79 5047.09 37.84 o
0 0 6 1269.73 1168.70 22.54 o
0 0 8 7.87 10.52 5.04 o
0 0 10 0.36 5.33 5.60 o
0 0 12 65.06 100.18 10.63 o
0 0 14 55.15 126.60 14.57 o
0 0 -16 1083.09 1031.86 35.41 o
0 0 18 181.83 160.68 16.46 o
0 0 -20 426.31 367.64 26.05 o
0 0 -22 912.34 823.09 40.31 o
0 0 -24 336.92 270.28 26.20 o
0 0 -26 61.30 49.22 15.92 o
0 0 -28 663.17 559.47 40.18 o
0 0 -30 25.63 39.51 17.08 o
0 0 -32 1.71 16.48 19.94 o
0 1 2 1064.32 1059.36 15.33 o
0 1 3 384.74 411.67 50.97 o
0 1 4 167.60 178.37 20.70 o
0 -1 5 178.12 207.39 32.18 o
0 -1 -6 1668.96 1688.95 227.31 o
0 -1 7 2393.33 2499.87 522.41 o
0 1 8 0.39 2.89 4.34 o
0 1 -9 0.00 1.55 4.74 o
0 -1 10 131.25 142.43 26.39 o
0 -1 11 1347.21 1402.58 233.03 o
0 -1 -12 372.61 387.58 61.17 o
0 -1 -13 125.04 154.86 28.83 o
0 -1 -14 266.68 266.27 44.98 o
0 1 15 417.46 465.47 71.97 o
0 -1 -16 5.49 11.43 6.90 o
0 1 -17 1043.96 1141.34 204.84 o
0 -1 18 14.43 16.83 7.96 o
0 1 19 653.75 664.18 112.28 o
0 -1 -20 293.08 363.20 74.70 o
0 1 -21 338.46 379.31 92.22 o
0 -1 -22 167.94 196.24 61.25 o
0 -1 -23 22.17 29.77 9.02 o
0 -1 -24 47.25 83.90 20.77 o
0 -1 -25 169.14 164.96 22.53 o
0 1 -26 47.32 46.58 16.11 o
0 -1 -27 185.67 181.69 25.07 o
0 -1 -28 17.28 23.79 16.70 o
0 1 -29 285.82 249.44 33.04 o
0 1 -30 97.44 95.54 23.40 o
0 1 -31 353.18 350.14 35.90 o
0 1 -32 144.09 193.33 29.05 o
0 1 -33 16.53 23.75 21.58 o
0 2 0 2427.01 2502.56 27.54 o
0 2 -1 8.46 11.07 3.87 o
0 2 -2 5687.18 5807.45 297.86 o
0 2 3 525.57 517.04 14.63 o
0 -2 4 13263.23 13029.71 1401.84 o
0 2 5 18424.06 17230.09 773.69 o
0 2 6 18497.30 17336.90 1661.54 o
0 2 7 11967.15 12108.06 1618.59 o
0 2 -8 243.40 259.79 50.12 o
0 -2 9 2.22 4.96 5.70 o
0 2 10 334.51 294.90 30.02 o
0 -2 11 185.09 178.47 22.79 o
0 2 -12 1072.42 1037.46 139.53 o
0 2 -13 378.26 346.29 37.94 o
0 -2 14 136.51 154.30 32.65 o
0 2 15 10.44 13.72 7.98 o
0 2 -16 304.49 306.39 28.19 o
0 -2 17 216.13 171.45 18.29 o
0 2 18 1.67 2.54 2.69 o
0 -2 19 0.68 3.03 10.05 o
0 2 -20 307.20 282.53 23.87 o
0 -2 -21 2.49 10.54 10.75 o
0 -2 -22 1149.15 987.97 44.53 o
0 2 -23 0.03 22.08 13.06 o
0 -2 -24 80.41 78.98 18.40 o
0 -2 -25 27.33 31.76 13.84 o
0 -2 -26 45.91 33.11 15.64 o
0 2 -27 114.50 90.82 19.12 o
0 -2 -28 6.29 4.46 15.53 o
0 -2 -29 19.11 19.63 16.43 o
0 2 -30 56.58 55.74 19.40 o
0 2 -31 4.07 -3.06 18.02 o
0 2 -32 30.70 18.25 19.69 o
0 2 -33 8.38 6.62 21.03 o
0 3 1 2673.94 2867.94 95.48 o
0 3 2 610.30 647.93 26.94 o
0 3 3 35.97 50.08 6.96 o
0 -3 -4 208.08 218.70 12.22 o
0 3 5 306.69 369.01 15.69 o
0 3 6 1506.30 1669.61 117.26 o
0 3 7 1573.86 1504.23 103.26 o
0 -3 8 502.69 538.36 48.75 o
0 3 9 1470.28 1650.08 138.93 o
0 -3 10 2190.12 2340.34 380.35 o
0 3 -11 0.01 2.11 6.53 o
0 3 12 128.85 149.91 23.09 o
0 3 13 105.91 113.23 13.02 o
0 3 14 9.02 12.85 8.26 o
0 3 15 121.65 137.80 18.47 o
0 3 -16 344.98 360.02 28.27 o
0 -3 17 593.81 601.81 85.08 o
0 -3 -18 39.95 38.07 11.63 o
0 -3 19 359.79 302.84 28.16 o
0 3 -20 13.87 19.82 11.00 o
0 3 -21 1464.87 1264.88 46.90 o
0 3 -22 578.03 446.08 74.54 o
0 -3 -23 550.51 493.92 33.06 o
0 -3 -24 144.68 91.09 18.17 o
0 3 -25 105.75 93.12 18.71 o
0 3 -26 155.81 139.40 34.33 o
0 -3 -27 337.22 307.21 30.59 o
0 -3 -28 43.53 39.81 20.24 o
0 -3 -29 16.29 30.83 16.01 o
0 3 -30 12.29 13.82 16.00 o
0 3 -31 31.00 17.65 18.06 o
0 3 -32 5.34 -0.27 20.29 o
0 3 -33 3.13 6.81 22.57 o
0 4 0 1875.11 1937.83 35.21 o
0 4 -1 222.09 229.25 13.22 o
0 -4 2 369.33 377.53 19.78 o
0 -4 3 830.27 893.04 56.93 o
0 4 4 359.64 382.92 25.26 o
0 -4 5 521.09 555.98 31.31 o
0 -4 6 932.98 977.23 28.38 o
0 -4 7 35.47 37.71 7.96 o
0 -4 8 706.93 674.68 68.45 o
0 -4 9 77.00 73.04 10.34 o
0 4 10 4000.09 4113.76 240.58 o
0 4 11 964.30 1021.05 129.14 o
0 4 12 3939.16 4300.38 590.77 o
0 -4 13 714.92 777.06 93.84 o
0 4 14 104.99 116.88 13.98 o
0 4 15 21.70 24.99 10.24 o
0 -4 16 109.43 107.54 14.71 o
0 -4 -17 194.91 202.99 19.75 o
0 -4 18 142.61 111.28 15.56 o
0 -4 -19 217.77 153.93 18.91 o
0 -4 -20 63.33 53.51 15.11 o
0 -4 -21 6.76 13.96 11.39 o
0 -4 -22 8.96 12.42 12.28 o
0 4 23 15.09 15.22 5.83 o
0 4 24 282.26 241.01 17.66 o
0 4 -25 109.50 90.22 19.73 o
0 4 -26 108.49 100.93 22.73 o
0 4 -27 6.91 12.08 15.01 o
0 -4 -28 34.88 40.42 16.43 o
0 -4 -29 20.23 13.11 16.55 o
0 -4 -30 23.28 27.66 17.51 o
0 -4 -31 4.82 -0.74 17.97 o
0 4 -32 6.55 -3.70 19.83 o
0 5 1 33.06 31.78 7.79 o
0 5 2 472.58 499.33 20.99 o
0 -5 -3 1165.36 1290.20 79.13 o
0 -5 -4 801.57 892.06 56.92 o
0 -5 5 4048.71 4563.66 261.78 o
0 -5 6 50.46 39.92 8.80 o
0 -5 7 382.72 406.51 35.63 o
0 -5 8 48.39 54.06 17.41 o
0 -5 9 637.90 98.20 270.98 o
0 -5 10 483.69 44.99 175.32 o
0 -5 11 670.31 667.23 29.49 o
0 -5 12 615.48 662.88 53.25 o
0 -5 13 466.79 510.81 63.70 o
0 5 14 23.14 17.94 13.55 o
0 -5 15 39.30 42.99 11.57 o
0 -5 -16 53.92 57.87 12.80 o
0 -5 17 125.69 98.39 22.97 o
0 -5 -18 16.66 14.49 10.80 o
0 -5 -19 277.83 224.53 22.52 o
0 -5 -20 153.11 113.69 17.88 o
0 -5 -21 198.82 167.49 20.85 o
0 -5 -22 98.36 96.76 18.11 o
0 -5 -23 80.01 68.01 17.77 o
0 -5 -24 8.07 3.87 14.91 o
0 -5 -25 4.33 6.30 12.84 o
0 -5 -26 46.79 28.28 15.47 o
0 -5 -27 403.17 367.50 33.53 o
0 -5 -28 169.03 176.27 26.77 o
0 -5 -29 42.79 56.48 18.37 o
0 -5 -30 39.13 37.69 18.64 o
0 -6 0 69.33 93.68 12.62 o
0 6 -1 4.41 1.33 6.93 o
0 -6 -2 26.75 35.04 8.54 o
0 6 -3 61.38 65.87 10.46 o
0 6 -4 110.15 111.64 14.06 o
0 6 5 1092.94 936.43 355.00 o
0 -6 -6 223.38 53.99 142.61 o
0 6 7 0.94 -1.79 6.80 o
0 6 8 41.32 30.99 9.38 o
0 -6 9 623.39 619.89 106.56 o
0 6 10 51.43 57.37 11.79 o
0 6 11 129.78 123.98 15.25 o
0 6 12 137.15 227.98 28.61 o
0 6 13 19.56 19.56 10.54 o
0 -6 14 150.48 137.72 16.87 o
0 6 15 236.94 324.06 40.41 o
0 -6 -16 152.97 118.45 26.33 o
0 6 17 424.33 475.53 101.48 o
0 6 18 268.80 377.98 122.74 o
0 -6 -19 42.00 32.78 13.46 o
0 -6 -20 146.78 124.80 19.59 o
0 -6 -21 91.02 108.85 18.18 o
0 -6 -22 237.22 206.01 24.84 o
0 -6 -23 1.40 6.06 14.71 o
0 -6 -24 115.41 94.93 19.92 o
0 -6 -25 47.76 69.22 20.26 o
0 -6 -26 1.07 3.06 14.39 o
0 -6 -27 25.10 18.61 16.57 o
0 -6 -28 0.15 9.07 17.23 o
0 -6 -29 21.33 -8.20 20.07 o
0 -7 1 439.65 49.21 178.14 o
0 7 2 538.82 549.40 26.59 o
0 7 -3 95.48 116.50 14.13 o
0 7 -4 0.01 -1.20 9.21 o
0 7 5 337.68 388.66 24.14 o
0 7 6 14.55 4.02 10.25 o
0 7 7 384.08 463.04 26.69 o
0 7 8 53.97 67.67 13.08 o
0 7 9 531.47 550.14 91.06 o
0 7 10 328.25 308.65 40.59 o
0 7 11 62.04 58.93 13.41 o
0 -7 12 17.36 15.86 10.74 o
0 -7 13 10.09 13.14 10.96 o
0 -7 14 143.85 271.79 38.57 o
0 -7 15 0.65 5.79 12.19 o
0 -7 16 1247.42 1210.19 229.58 o
0 -7 -17 57.53 95.87 27.61 o
0 -7 18 517.03 601.47 55.69 o
0 7 19 127.36 134.25 19.71 o
0 -7 -20 11.91 24.70 13.57 o
0 -7 21 87.78 205.48 23.98 o
0 -7 -22 5.58 33.16 14.89 o
0 -7 23 0.00 -0.18 14.25 o
0 -7 -24 3.91 39.80 17.29 o
0 -7 -25 3.91 78.17 21.02 o
0 -7 -26 79.77 65.59 20.32 o
0 -7 -27 127.74 144.94 26.33 o
0 -7 -28 0.03 17.18 18.95 o
0 8 0 397.93 428.81 25.88 o
0 8 -1 8.44 43.33 79.44 o
0 8 2 55.79 35.39 16.28 o
0 8 -3 1.87 1.66 10.21 o
0 8 4 30.31 43.61 11.66 o
0 8 5 436.72 418.14 26.27 o
0 8 6 241.85 233.11 20.80 o
0 8 7 62.77 55.02 13.44 o
0 -8 -8 0.73 29.20 11.53 o
0 -8 9 39.68 39.75 12.28 o
0 -8 10 481.23 513.20 32.02 o
0 -8 -11 109.90 109.06 16.69 o
0 -8 12 42.45 42.70 16.57 o
0 -8 13 66.88 57.90 14.52 o
0 -8 -14 915.60 906.04 101.03 o
0 8 15 28.87 22.85 14.50 o
0 8 16 177.67 214.89 34.99 o
0 8 17 82.07 67.45 19.77 o
0 -8 18 0.13 2.34 12.48 o
0 -8 -19 10.51 4.48 14.39 o
0 -8 -20 2.98 66.40 17.45 o
0 -8 -21 105.58 84.04 19.67 o
0 -8 -22 10.28 7.53 14.26 o
0 -8 -23 18.17 27.99 16.98 o
0 -8 -24 145.65 185.27 35.69 o
0 -8 -25 46.36 65.99 18.58 o
0 -8 26 45.08 52.97 19.70 o
0 -8 27 40.40 46.79 19.49 o
0 -9 1 126.98 120.74 17.27 o
0 9 2 3.44 -1.97 11.20 o
0 -9 3 9.47 29.61 11.85 o
0 -9 -4 36.66 36.69 12.08 o
0 -9 5 0.06 -0.30 11.05 o
0 -9 -6 26.22 20.99 11.14 o
0 -9 -7 1.05 5.86 17.07 o
0 -9 8 31.75 27.56 12.51 o
0 -9 -9 9.39 6.90 11.85 o
0 -9 -10 470.36 513.65 42.60 o
0 -9 11 567.44 569.47 35.15 o
0 -9 12 4.28 1.43 12.78 o
0 -9 13 17.49 28.62 13.64 o
0 -9 14 113.79 102.70 18.50 o
0 -9 15 7.81 4.30 13.81 o
0 -9 16 3.51 7.16 14.06 o
0 -9 17 0.64 -7.66 16.16 o
0 -9 -18 2.24 22.64 15.14 o
0 -9 19 12.23 14.14 15.27 o
0 -9 20 29.44 30.55 17.88 o
0 -9 21 336.51 317.57 41.38 o
0 -9 -22 329.43 322.57 44.27 o
0 -9 23 51.02 27.06 18.61 o
0 -9 -24 17.43 19.17 19.54 o
0 -9 25 39.81 25.40 21.83 o
0 -10 0 363.85 385.42 28.08 o
0 -10 1 74.65 67.08 15.60 o
0 -10 2 12.27 8.49 12.60 o
0 -10 3 25.99 58.84 15.21 o
0 -10 -4 31.10 30.80 13.28 o
0 -10 -5 0.02 -6.92 12.48 o
0 -10 6 2.27 -0.85 13.91 o
0 -10 -7 285.81 300.73 27.43 o
0 -10 -8 180.39 173.92 22.41 o
0 -10 -9 381.04 377.90 30.07 o
0 -10 10 157.16 144.80 21.43 o
0 -10 11 7.26 9.77 13.61 o
0 -10 -12 8.98 -0.39 13.81 o
0 -10 13 0.04 2.07 13.28 o
0 -10 14 8.68 7.51 14.34 o
0 -10 15 1.67 8.65 15.18 o
0 -10 16 87.12 91.86 19.47 o
0 -10 17 140.55 133.11 23.43 o
0 -10 -18 34.05 32.45 18.17 o
0 -10 19 21.92 20.47 17.59 o
0 -10 -20 92.65 72.37 26.89 o
0 -10 21 106.30 107.42 23.14 o
0 -10 -22 43.99 11.96 21.18 o
0 -10 23 124.47 125.09 26.75 o
0 -11 1 96.79 86.90 19.17 o
0 -11 -2 46.26 33.79 15.85 o
0 -11 -3 1.68 -1.69 25.65 o
0 -11 -4 589.67 651.49 38.97 o
0 -11 -5 48.56 59.49 17.34 o
0 -11 6 126.36 121.99 20.64 o
0 -11 7 100.75 106.02 22.00 o
0 -11 -8 70.12 66.67 17.84 o
0 -11 -9 36.84 56.42 17.32 o
0 -11 10 59.63 34.89 16.21 o
0 -11 -11 44.12 42.60 15.72 o
0 -11 12 33.69 34.23 15.87 o
0 -11 -13 34.90 23.06 29.89 o
0 -11 -14 8.25 -2.84 17.59 o
0 -11 -15 4.84 8.22 17.63 o
0 -11 16 28.29 29.18 17.99 o
0 -11 17 1.66 20.69 18.65 o
0 -11 18 1.66 12.86 21.08 o
0 -11 19 2.58 13.09 20.95 o
0 -12 0 155.26 159.57 25.84 o
0 -12 -1 637.23 664.27 41.60 o
0 -12 2 564.45 551.42 38.92 o
0 -12 3 6.38 -12.23 18.04 o
0 -12 -4 9.22 11.80 17.33 o
0 -12 -5 230.75 214.17 38.61 o
0 -12 -6 40.68 30.69 18.29 o
0 -12 7 32.82 13.96 19.66 o
0 -12 8 18.25 18.59 17.48 o
0 -12 -9 5.28 3.53 17.81 o
0 -12 10 8.90 6.69 18.82 o
0 -12 11 17.65 21.04 18.93 o
0 -12 -12 11.81 1.20 19.66 o
0 -12 13 136.80 152.99 26.51 o
0 -12 14 19.46 36.21 22.12 o
0 -12 15 13.65 24.29 24.13 o
0 -13 1 103.66 115.72 23.11 o
0 -13 -2 246.80 233.24 28.03 o
0 -13 3 4.25 -3.54 21.19 o
0 -13 4 32.36 22.78 21.96 o
0 -13 5 95.54 84.78 22.76 o
0 -13 -6 145.30 136.96 25.62 o
0 -13 7 5.75 20.50 23.07 o
0 -13 -8 2.89 16.64 23.95 o
1 0 -33 24.58 24.73 33.10 o
1 0 -31 229.71 223.84 37.91 o
1 0 -29 560.85 507.81 41.73 o
1 0 -27 108.95 86.73 22.88 o
1 0 -25 85.77 56.81 22.30 o
1 0 -23 15.16 29.45 16.38 o
1 0 -21 321.03 275.77 23.52 o
1 0 -19 670.04 609.57 94.05 o
-1 0 17 378.43 337.15 24.82 o
-1 0 15 760.96 818.59 103.84 o
-1 0 13 88.83 91.49 9.98 o
1 0 -11 215.38 185.80 12.16 o
1 0 -9 331.49 265.66 47.53 o
-1 0 7 412.31 404.87 69.68 o
1 0 -5 1749.83 1628.31 26.23 o
-1 0 5 2003.75 1905.83 28.61 o
1 0 -3 9191.90 8158.43 49.11 o
1 0 -1 4859.99 4539.58 51.27 o
1 0 1 3670.33 3388.09 58.47 o
1 0 3 1198.32 1209.31 63.93 o
1 0 5 302.85 293.68 9.36 o
1 0 5 1769.99 1596.17 30.89 o
-1 0 -7 487.85 470.13 21.67 o
-1 0 -9 394.57 355.23 48.30 o
1 0 11 213.61 147.79 43.63 o
1 0 13 104.32 84.64 7.32 o
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1 0 17 447.43 436.64 29.47 o
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-1 0 -23 13.72 10.51 16.45 o
-1 0 -25 101.87 145.19 23.80 o
-1 0 -27 111.20 141.62 26.26 o
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1 1 -34 0.00 90.81 37.93 o
1 1 -33 237.81 228.46 43.19 o
1 -1 -32 8.99 19.93 28.05 o
1 -1 -31 47.70 174.33 333.54 o
1 1 -30 216.70 209.24 33.99 o
1 1 -29 243.71 254.84 48.27 o
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1 1 -26 11.92 49.39 35.26 o
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1 1 -24 51.29 77.01 16.28 o
1 1 -23 781.92 823.92 39.66 o
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1 1 -21 259.74 258.86 22.96 o
1 1 -20 188.82 178.68 37.56 o
1 1 -19 24.34 26.17 12.76 o
1 1 -18 61.59 65.78 4.26 o
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1 -1 -17 224.99 197.40 34.38 o
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1 1 -15 601.86 634.65 52.59 o
-1 1 14 15.93 49.37 35.82 o
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1 1 -12 13.01 36.75 12.22 o
1 1 -11 844.98 907.93 71.18 o
1 -1 -10 572.67 627.15 36.42 o
1 1 -9 1724.57 1526.43 153.35 o
-1 -1 8 1296.50 1382.57 78.23 o
-1 -1 7 224.99 235.01 29.71 o
1 -1 -6 746.16 708.96 29.80 o
-1 1 5 4331.48 4433.68 167.68 o
-1 1 4 2953.52 2808.01 36.39 o
-1 -1 4 4342.61 4442.35 94.00 o
-1 1 3 2379.27 2258.57 34.37 o
-1 1 3 2989.59 3003.46 577.45 o
-1 1 2 98.22 83.57 7.28 o
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1 -1 0 946.86 869.99 39.05 o
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-1 1 -1 629.67 656.27 13.10 o
1 1 1 2960.06 2967.46 102.90 o
-1 1 -2 16.01 13.79 4.97 o
-1 1 -2 98.36 114.89 13.60 o
1 -1 3 727.92 629.30 17.74 o
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