#------------------------------------------------------------------------------
#$Date: 2023-06-29 18:22:27 +0300 (Thu, 29 Jun 2023) $
#$Revision: 284681 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/21/2312132.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_2312132
_cell_angle_alpha                90.000
_cell_angle_beta                 96.242
_cell_angle_gamma                90.000
_cell_length_a                   7.9689
_cell_length_b                   10.9471
_cell_length_c                   18.4759
_exptl_crystal_F_000             704.00
_reflns_d_resolution_high        0.7870
_cod_data_source_file            vp30296sup4.hkl
_cod_data_source_block           6
_shelx_title                     ' bm7_a.res in Ia'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            339.35
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y, z'
'x+1/2, y+1/2, z+1/2'
'x+1, -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 1 -23 100.46 104.50 5.80 o
0 0 -22 361.38 362.81 15.41 o
-1 1 -22 352.00 344.62 10.67 o
1 1 -22 4.29 5.53 1.25 o
-2 2 -22 111.57 115.40 5.86 o
0 2 -22 69.23 71.79 6.14 o
-1 3 -22 206.31 209.91 9.08 o
1 3 -22 153.40 161.96 9.17 o
0 4 -22 375.31 372.33 12.32 o
-2 1 -21 251.21 247.45 6.47 o
0 1 -21 115.14 113.88 4.53 o
2 1 -21 455.07 487.33 11.28 o
4 1 -21 137.38 149.36 8.44 o
-3 2 -21 241.71 243.75 9.07 o
-1 2 -21 168.77 175.04 5.59 o
1 2 -21 81.49 79.27 4.45 o
3 2 -21 409.33 412.12 15.71 o
-2 3 -21 318.10 311.17 11.93 o
0 3 -21 0.22 1.16 1.31 o
2 3 -21 578.70 578.41 11.70 o
-1 4 -21 48.12 39.70 4.30 o
1 4 -21 250.75 256.43 8.82 o
-2 0 -20 1399.37 1441.40 40.07 o
0 0 -20 282.54 283.02 11.37 o
2 0 -20 2565.73 2659.82 43.00 o
4 0 -20 935.89 923.59 26.29 o
-3 1 -20 74.74 77.83 4.98 o
-1 1 -20 672.79 676.98 12.56 o
1 1 -20 1334.53 1422.87 20.09 o
3 1 -20 183.20 194.85 8.24 o
-2 2 -20 45.00 36.97 4.26 o
0 2 -20 451.97 440.52 9.78 o
2 2 -20 31.81 32.91 3.90 o
4 2 -20 73.13 69.22 6.25 o
-1 3 -20 687.69 627.08 13.15 o
1 3 -20 403.42 422.08 11.98 o
3 3 -20 121.02 125.54 8.67 o
-2 4 -20 233.80 240.67 11.08 o
0 4 -20 1069.01 1044.91 24.23 o
2 4 -20 73.84 90.68 8.49 o
1 5 -20 247.51 276.21 13.12 o
-4 1 -19 285.45 305.82 14.13 o
-2 1 -19 102.90 120.17 7.73 o
0 1 -19 309.68 330.84 13.48 o
2 1 -19 140.30 140.61 5.12 o
4 1 -19 0.34 0.86 0.94 o
6 1 -19 214.77 220.84 6.76 o
-1 2 -19 688.93 707.72 16.10 o
1 2 -19 208.75 206.74 6.86 o
3 2 -19 104.16 105.54 5.37 o
5 2 -19 391.08 421.39 15.40 o
-2 3 -19 173.65 161.95 4.63 o
0 3 -19 213.38 206.35 7.43 o
2 3 -19 667.71 689.73 18.24 o
4 3 -19 311.98 327.53 14.23 o
6 3 -19 280.09 279.98 6.99 o
-3 4 -19 186.17 169.29 6.81 o
-1 4 -19 328.81 314.52 11.44 o
1 4 -19 77.77 76.25 9.56 o
3 4 -19 199.55 179.17 10.53 o
-2 5 -19 147.48 137.36 6.87 o
0 5 -19 30.59 28.96 2.84 o
2 5 -19 53.78 58.79 4.34 o
-1 6 -19 177.21 172.87 7.88 o
1 6 -19 371.41 323.24 11.03 o
0 7 -19 186.02 165.15 6.83 o
-4 0 -18 582.51 582.08 23.17 o
-2 0 -18 108.50 99.93 10.79 o
0 0 -18 2954.16 2976.00 50.54 o
2 0 -18 1168.72 1147.80 26.22 o
4 0 -18 423.66 396.66 12.34 o
6 0 -18 208.40 236.44 11.42 o
-3 1 -18 1277.89 1321.68 40.94 o
-1 1 -18 84.36 91.91 7.47 o
1 1 -18 2702.03 2733.90 32.53 o
3 1 -18 387.96 392.84 7.06 o
5 1 -18 335.38 329.91 8.60 o
7 1 -18 77.33 81.91 3.59 o
-4 2 -18 78.62 69.86 3.41 o
-2 2 -18 149.35 171.00 6.53 o
0 2 -18 1282.71 1285.09 28.09 o
2 2 -18 230.20 229.64 6.63 o
4 2 -18 21.72 23.64 2.13 o
6 2 -18 15.54 11.42 1.95 o
-3 3 -18 104.31 102.38 5.43 o
-1 3 -18 643.73 654.43 17.59 o
1 3 -18 638.25 625.61 16.77 o
3 3 -18 127.44 129.59 6.05 o
5 3 -18 976.27 959.55 15.55 o
-4 4 -18 449.97 430.59 12.52 o
-2 4 -18 1003.35 1000.86 14.52 o
0 4 -18 261.98 238.57 9.29 o
2 4 -18 783.83 792.66 30.77 o
4 4 -18 75.25 89.55 7.43 o
6 4 -18 77.27 88.74 5.51 o
-3 5 -18 213.83 244.76 10.06 o
-1 5 -18 774.31 790.22 15.42 o
1 5 -18 467.47 454.06 12.32 o
5 5 -18 60.74 62.84 3.07 o
-2 6 -18 165.77 149.94 8.22 o
0 6 -18 11.61 7.97 2.46 o
2 6 -18 260.51 237.85 10.94 o
-1 7 -18 89.38 82.53 6.05 o
1 7 -18 57.98 58.97 5.26 o
0 8 -18 764.63 767.33 19.31 o
-4 1 -17 258.01 281.36 11.95 o
-2 1 -17 603.71 587.43 15.12 o
0 1 -17 1158.65 1217.44 22.90 o
2 1 -17 26.46 28.50 2.37 o
4 1 -17 269.91 257.35 14.18 o
6 1 -17 115.49 144.71 8.10 o
-5 2 -17 276.51 294.70 14.43 o
-3 2 -17 70.01 70.69 5.50 o
-1 2 -17 348.45 333.53 10.03 o
1 2 -17 265.76 264.40 8.13 o
3 2 -17 35.42 31.76 2.27 o
5 2 -17 114.73 109.84 5.17 o
7 2 -17 162.64 183.69 6.24 o
-4 3 -17 313.10 331.51 10.09 o
-2 3 -17 52.54 44.88 4.22 o
0 3 -17 1087.27 1078.15 15.89 o
2 3 -17 140.21 134.61 4.44 o
4 3 -17 568.35 605.94 22.05 o
6 3 -17 535.49 542.39 10.68 o
-3 4 -17 166.19 152.31 7.26 o
-1 4 -17 300.27 290.35 10.92 o
1 4 -17 53.70 52.14 3.37 o
3 4 -17 87.32 82.20 4.83 o
5 4 -17 505.96 520.74 13.29 o
7 4 -17 41.45 47.33 2.57 o
-4 5 -17 271.96 272.88 11.68 o
-2 5 -17 143.48 136.70 5.70 o
0 5 -17 34.29 44.35 3.30 o
2 5 -17 14.17 25.17 3.03 o
4 5 -17 251.92 242.91 12.03 o
6 5 -17 122.47 139.40 5.60 o
-3 6 -17 193.99 188.30 6.93 o
-1 6 -17 163.31 175.74 7.63 o
1 6 -17 413.66 426.48 10.20 o
3 6 -17 379.26 362.49 14.25 o
5 6 -17 25.89 32.38 4.32 o
-2 7 -17 147.02 141.19 6.12 o
0 7 -17 41.41 41.13 5.29 o
2 7 -17 1156.73 1171.29 30.68 o
-1 8 -17 356.34 354.17 13.50 o
0 9 -17 18.41 23.57 2.97 o
-4 0 -16 648.10 687.44 29.33 o
-2 0 -16 418.02 405.49 13.69 o
0 0 -16 723.12 736.12 28.26 o
2 0 -16 3132.96 3201.62 35.25 o
4 0 -16 336.30 327.78 11.84 o
6 0 -16 45.48 40.55 3.68 o
8 0 -16 615.87 521.28 13.14 o
-5 1 -16 368.41 400.96 10.46 o
-3 1 -16 275.86 263.91 15.72 o
-1 1 -16 5420.23 5656.59 46.26 o
1 1 -16 1254.17 1222.86 21.54 o
3 1 -16 199.59 195.35 7.39 o
5 1 -16 331.13 335.45 14.99 o
7 1 -16 9.03 6.81 1.83 o
-4 2 -16 43.52 53.54 3.66 o
-2 2 -16 877.11 796.49 24.04 o
0 2 -16 153.63 165.02 6.55 o
2 2 -16 512.38 483.33 8.88 o
4 2 -16 555.01 536.00 15.07 o
6 2 -16 38.92 42.77 4.09 o
-5 3 -16 146.62 167.31 8.84 o
-3 3 -16 1725.03 1707.34 27.13 o
-1 3 -16 875.58 902.11 21.47 o
1 3 -16 299.88 308.08 7.38 o
3 3 -16 365.60 311.84 9.95 o
5 3 -16 447.74 489.24 20.52 o
7 3 -16 136.13 145.19 9.26 o
-4 4 -16 424.96 425.51 13.68 o
-2 4 -16 955.97 895.24 41.69 o
0 4 -16 358.22 361.02 8.05 o
2 4 -16 261.78 263.80 7.49 o
4 4 -16 747.51 768.16 26.72 o
6 4 -16 100.68 96.84 7.97 o
-5 5 -16 339.09 386.69 12.37 o
-3 5 -16 947.85 972.24 27.77 o
-1 5 -16 536.28 533.06 15.58 o
1 5 -16 779.91 752.77 15.59 o
3 5 -16 134.02 119.40 6.74 o
5 5 -16 185.50 192.67 11.86 o
7 5 -16 379.70 348.40 7.75 o
-4 6 -16 166.22 199.91 6.95 o
-2 6 -16 150.14 151.29 7.35 o
0 6 -16 173.42 160.31 6.65 o
2 6 -16 236.20 233.27 9.15 o
4 6 -16 246.42 248.94 13.57 o
6 6 -16 145.28 123.37 7.63 o
-3 7 -16 228.25 249.44 8.31 o
-1 7 -16 454.15 448.00 13.32 o
3 7 -16 163.30 153.10 8.37 o
-2 8 -16 659.98 657.92 14.48 o
0 8 -16 544.39 547.84 20.05 o
-1 9 -16 104.45 112.64 7.17 o
1 9 -16 287.06 313.28 13.11 o
-6 1 -15 238.35 264.99 9.58 o
-4 1 -15 280.70 294.20 11.93 o
-2 1 -15 1007.58 1035.76 14.26 o
0 1 -15 102.47 99.84 5.51 o
2 1 -15 340.06 304.19 6.18 o
4 1 -15 393.92 399.19 15.73 o
6 1 -15 283.49 262.59 10.77 o
-5 2 -15 531.09 573.95 13.20 o
-3 2 -15 996.75 1037.08 20.63 o
-1 2 -15 108.71 123.01 5.58 o
1 2 -15 502.13 523.20 10.96 o
3 2 -15 2108.54 2190.13 40.45 o
5 2 -15 555.12 590.48 26.15 o
7 2 -15 1015.91 994.27 24.28 o
-6 3 -15 417.34 450.30 16.51 o
-4 3 -15 230.04 220.45 10.09 o
-2 3 -15 310.25 299.42 11.26 o
0 3 -15 1130.10 1128.44 20.06 o
2 3 -15 976.06 993.07 14.72 o
4 3 -15 1032.10 935.25 20.80 o
6 3 -15 54.75 61.14 7.00 o
-5 4 -15 152.65 152.85 10.48 o
-3 4 -15 97.26 91.99 5.39 o
-1 4 -15 728.71 700.94 16.45 o
1 4 -15 107.93 114.75 3.73 o
3 4 -15 99.21 84.10 4.32 o
5 4 -15 126.56 112.49 9.82 o
7 4 -15 14.05 16.10 2.25 o
-6 5 -15 65.87 66.98 4.02 o
-4 5 -15 26.04 22.93 4.26 o
-2 5 -15 78.99 96.70 5.36 o
0 5 -15 15.81 15.05 2.18 o
2 5 -15 752.49 746.15 13.13 o
4 5 -15 75.67 91.55 8.96 o
6 5 -15 352.48 358.28 16.08 o
-5 6 -15 703.77 679.07 18.32 o
-3 6 -15 263.87 288.18 14.13 o
-1 6 -15 370.04 378.19 13.09 o
1 6 -15 570.71 537.53 11.05 o
3 6 -15 328.21 343.40 17.59 o
5 6 -15 699.81 708.23 24.57 o
7 6 -15 496.84 456.49 12.23 o
-4 7 -15 73.55 88.86 4.60 o
-2 7 -15 223.09 245.39 9.64 o
0 7 -15 148.06 168.93 8.64 o
2 7 -15 543.71 517.35 17.52 o
4 7 -15 343.86 338.96 16.09 o
-3 8 -15 378.34 392.23 10.52 o
-1 8 -15 84.74 89.79 5.80 o
1 8 -15 1222.03 1243.23 35.93 o
-2 9 -15 10.76 14.72 2.11 o
0 9 -15 73.30 83.04 7.34 o
2 9 -15 11.58 14.27 3.36 o
-1 10 -15 178.55 152.79 7.70 o
1 10 -15 333.58 369.20 13.60 o
-6 0 -14 853.98 853.42 18.77 o
-4 0 -14 81.10 79.54 7.97 o
-2 0 -14 1951.85 1923.40 36.54 o
0 0 -14 5308.73 5295.57 72.63 o
2 0 -14 710.29 709.84 15.14 o
4 0 -14 674.92 667.81 45.28 o
6 0 -14 110.23 124.41 10.98 o
-5 1 -14 1079.77 1137.07 21.23 o
-3 1 -14 717.68 733.24 15.24 o
-1 1 -14 2209.19 2246.27 20.55 o
1 1 -14 572.57 557.96 10.87 o
3 1 -14 570.93 536.42 16.05 o
5 1 -14 197.00 185.37 13.60 o
7 1 -14 130.18 139.81 7.24 o
-6 2 -14 84.09 86.26 4.81 o
-4 2 -14 47.58 50.31 11.22 o
-2 2 -14 1354.81 1362.29 31.74 o
0 2 -14 279.09 286.05 6.39 o
2 2 -14 543.10 589.58 11.79 o
4 2 -14 116.33 111.42 4.93 o
6 2 -14 211.16 203.28 13.49 o
-5 3 -14 944.05 943.06 18.09 o
-3 3 -14 996.08 1018.09 20.39 o
-1 3 -14 851.11 874.79 13.91 o
1 3 -14 452.73 446.62 6.74 o
3 3 -14 1509.21 1544.99 21.49 o
5 3 -14 421.87 385.43 19.44 o
7 3 -14 12.96 20.24 2.94 o
-6 4 -14 461.49 463.89 17.36 o
-4 4 -14 944.80 953.25 23.35 o
-2 4 -14 480.08 499.53 15.65 o
0 4 -14 883.14 841.11 13.12 o
2 4 -14 1021.89 987.92 13.12 o
4 4 -14 122.25 102.17 9.84 o
6 4 -14 686.02 677.78 25.00 o
-3 5 -14 653.34 643.45 19.12 o
-1 5 -14 806.05 803.52 16.71 o
1 5 -14 450.67 435.93 8.11 o
3 5 -14 126.14 126.50 8.32 o
5 5 -14 661.60 617.28 24.25 o
7 5 -14 189.43 213.87 7.60 o
-6 6 -14 60.78 48.02 3.50 o
-4 6 -14 52.51 47.52 5.42 o
-2 6 -14 227.59 252.86 11.75 o
0 6 -14 24.15 26.71 3.77 o
2 6 -14 741.66 749.44 16.55 o
4 6 -14 312.78 318.83 17.34 o
6 6 -14 260.69 262.32 13.58 o
-5 7 -14 45.35 50.02 4.32 o
-3 7 -14 334.75 344.12 13.24 o
-1 7 -14 42.02 35.24 5.46 o
1 7 -14 1763.82 1737.46 47.69 o
3 7 -14 276.78 259.57 15.79 o
5 7 -14 233.95 239.05 13.50 o
-4 8 -14 768.61 736.29 20.22 o
-2 8 -14 742.38 738.91 18.74 o
0 8 -14 849.18 837.91 20.87 o
2 8 -14 685.68 727.34 27.29 o
4 8 -14 229.40 228.87 9.44 o
-3 9 -14 543.32 561.28 17.26 o
-1 9 -14 676.57 715.73 19.52 o
1 9 -14 74.25 86.75 8.28 o
-2 10 -14 93.58 95.11 6.01 o
0 10 -14 746.57 811.54 23.93 o
-6 1 -13 431.78 493.95 12.17 o
-4 1 -13 373.09 342.35 15.25 o
-2 1 -13 566.03 579.92 13.17 o
0 1 -13 288.53 273.77 6.96 o
2 1 -13 74.40 67.98 4.08 o
4 1 -13 947.67 869.49 16.56 o
6 1 -13 17.88 9.07 4.17 o
8 1 -13 982.15 978.38 18.41 o
-7 2 -13 289.76 297.79 11.47 o
-5 2 -13 1.85 1.60 1.47 o
-3 2 -13 591.93 593.38 11.11 o
-1 2 -13 817.05 795.84 20.17 o
1 2 -13 911.17 940.49 20.28 o
3 2 -13 352.71 367.90 8.98 o
5 2 -13 380.94 359.55 9.39 o
7 2 -13 453.71 471.77 21.76 o
-6 3 -13 325.31 312.16 10.78 o
-4 3 -13 165.74 158.01 9.42 o
-2 3 -13 1731.71 1756.64 21.97 o
0 3 -13 31.48 25.51 2.05 o
2 3 -13 1526.46 1470.81 18.72 o
4 3 -13 1785.52 1752.27 30.11 o
6 3 -13 243.62 234.31 23.33 o
8 3 -13 301.18 290.40 8.21 o
-5 4 -13 207.96 201.66 12.31 o
-3 4 -13 1432.01 1404.52 25.09 o
-1 4 -13 16.70 17.73 2.35 o
1 4 -13 18.44 20.13 1.93 o
3 4 -13 964.10 922.04 13.51 o
5 4 -13 12.15 8.12 3.36 o
7 4 -13 104.57 102.14 8.48 o
-6 5 -13 510.68 491.96 18.14 o
-4 5 -13 331.37 364.49 17.27 o
-2 5 -13 2.29 0.60 1.93 o
0 5 -13 390.23 389.88 10.45 o
2 5 -13 164.91 172.74 6.52 o
4 5 -13 221.41 225.38 14.72 o
6 5 -13 295.49 316.42 16.41 o
-3 6 -13 227.10 251.36 14.76 o
-1 6 -13 1736.27 1688.33 54.93 o
1 6 -13 825.12 799.81 19.98 o
3 6 -13 179.89 190.57 10.59 o
5 6 -13 259.59 290.44 16.23 o
7 6 -13 281.26 255.06 11.73 o
-6 7 -13 542.80 620.52 14.35 o
-4 7 -13 271.81 263.31 12.72 o
-2 7 -13 21.48 32.07 17.25 o
0 7 -13 3373.51 3524.01 55.45 o
2 7 -13 975.81 940.20 43.55 o
4 7 -13 370.30 370.56 18.78 o
6 7 -13 405.27 388.84 16.33 o
-5 8 -13 383.01 366.03 11.72 o
-3 8 -13 397.32 391.97 12.00 o
-1 8 -13 637.76 611.67 17.66 o
1 8 -13 474.87 491.42 26.48 o
3 8 -13 390.93 410.65 20.69 o
-4 9 -13 199.11 213.27 9.00 o
-2 9 -13 204.70 214.84 8.69 o
0 9 -13 247.31 254.21 10.64 o
2 9 -13 78.69 74.02 8.19 o
-3 10 -13 119.85 108.44 5.98 o
-1 10 -13 590.59 612.56 20.63 o
1 10 -13 209.08 220.66 12.60 o
0 11 -13 451.90 466.88 15.17 o
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-4 0 -12 970.51 983.07 40.09 o
-2 0 -12 1085.91 1112.60 26.15 o
0 0 -12 1232.04 1260.34 18.42 o
2 0 -12 2449.83 2320.33 47.02 o
4 0 -12 338.55 393.06 26.11 o
6 0 -12 3099.80 3089.82 45.02 o
8 0 -12 21.41 29.49 4.52 o
-7 1 -12 404.23 447.83 9.79 o
-5 1 -12 453.54 413.10 17.18 o
-3 1 -12 6370.89 6609.25 77.25 o
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1 1 -12 1503.53 1549.54 36.89 o
3 1 -12 595.56 554.61 11.77 o
5 1 -12 284.54 284.15 8.33 o
7 1 -12 1322.35 1418.87 55.02 o
-6 2 -12 22.15 17.58 2.84 o
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-2 2 -12 206.59 239.96 7.60 o
0 2 -12 149.01 135.70 4.24 o
2 2 -12 263.38 226.71 7.83 o
4 2 -12 703.03 694.89 8.32 o
6 2 -12 380.49 368.31 16.10 o
8 2 -12 855.73 799.23 16.64 o
-7 3 -12 213.05 210.52 11.65 o
-5 3 -12 873.26 819.84 18.08 o
-3 3 -12 1659.76 1728.01 24.40 o
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1 3 -12 117.20 111.38 6.20 o
3 3 -12 690.10 642.52 9.25 o
5 3 -12 613.75 597.03 15.46 o
7 3 -12 554.80 539.10 14.50 o
-6 4 -12 403.17 404.81 13.22 o
-4 4 -12 1737.54 1624.97 33.47 o
-2 4 -12 81.03 62.74 4.43 o
0 4 -12 888.48 922.75 11.93 o
2 4 -12 1223.39 1209.85 15.30 o
4 4 -12 1232.02 1121.21 17.05 o
6 4 -12 54.67 48.69 3.40 o
8 4 -12 327.14 349.92 32.80 o
-7 5 -12 70.57 88.53 4.87 o
-5 5 -12 1021.21 1048.02 23.39 o
-3 5 -12 477.43 507.66 13.94 o
-1 5 -12 1265.01 1198.46 22.55 o
1 5 -12 245.98 215.41 7.87 o
3 5 -12 220.33 216.48 5.29 o
5 5 -12 651.53 659.25 15.99 o
7 5 -12 403.73 402.07 17.13 o
-6 6 -12 154.32 173.48 6.50 o
-4 6 -12 78.71 85.15 9.04 o
-2 6 -12 52.48 48.88 5.43 o
0 6 -12 838.86 817.39 16.84 o
2 6 -12 361.59 384.40 15.91 o
4 6 -12 262.04 269.18 16.68 o
6 6 -12 40.57 38.58 5.94 o
-5 7 -12 348.88 374.23 10.56 o
-3 7 -12 410.56 386.77 20.29 o
-1 7 -12 2110.12 2141.91 38.34 o
1 7 -12 402.41 413.69 18.39 o
3 7 -12 136.53 133.95 8.72 o
5 7 -12 855.62 804.84 28.94 o
-4 8 -12 591.55 585.13 14.17 o
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0 8 -12 834.96 874.62 22.51 o
2 8 -12 391.41 367.34 20.72 o
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