#------------------------------------------------------------------------------
#$Date: 2019-04-10 05:41:45 +0300 (Wed, 10 Apr 2019) $
#$Revision: 214585 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/28/2242898.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_2242898
_cell_angle_alpha                106.533
_cell_angle_beta                 97.980
_cell_angle_gamma                102.843
_cell_length_a                   7.1314
_cell_length_b                   13.4650
_cell_length_c                   15.4586
_exptl_crystal_F_000             588.00
_reflns_d_resolution_high        0.7695
_cod_data_source_file            rz5251Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' yohan3_a.res in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            104.50
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
1 0 0 1376.62 1512.98 28.85 o
2 0 0 462.74 525.73 4.33 o
3 0 0 1687.05 1846.19 23.09 o
4 0 0 63.57 77.96 0.70 o
5 0 0 127.76 139.56 1.35 o
6 0 0 134.42 125.33 1.64 o
7 0 0 156.52 155.93 2.45 o
8 0 0 14.80 16.01 0.74 o
-8 1 0 12.01 13.72 0.65 o
-7 1 0 213.64 219.72 2.74 o
-6 1 0 229.95 179.13 2.14 o
-5 1 0 158.83 144.90 1.37 o
-4 1 0 387.59 431.96 3.14 o
-3 1 0 573.01 650.01 4.75 o
-2 1 0 32.18 32.28 0.33 o
1 1 0 554.99 634.10 6.43 o
2 1 0 194.90 201.41 1.93 o
3 1 0 2906.65 3223.89 29.88 o
4 1 0 140.13 156.33 1.52 o
5 1 0 479.50 474.91 3.99 o
6 1 0 3.39 1.71 0.30 o
7 1 0 147.78 142.06 1.89 o
8 1 0 60.52 65.80 1.21 o
-9 2 0 233.64 259.88 3.79 o
-8 2 0 25.79 29.66 0.97 o
-7 2 0 0.38 3.55 0.46 o
-6 2 0 0.52 0.13 0.30 o
-5 2 0 107.83 91.22 0.88 o
-4 2 0 1535.36 1768.04 12.26 o
-3 2 0 2.25 3.10 0.15 o
-2 2 0 768.71 832.49 6.02 o
-1 2 0 42.36 34.55 0.49 o
0 2 0 661.23 703.45 9.46 o
1 2 0 5222.40 5999.13 207.97 o
2 2 0 73.06 64.50 0.72 o
3 2 0 5.44 2.19 0.19 o
4 2 0 87.30 66.68 0.72 o
5 2 0 0.36 3.03 0.23 o
6 2 0 50.36 36.57 0.85 o
7 2 0 104.94 96.25 1.41 o
8 2 0 72.26 71.57 1.35 o
-9 3 0 117.97 133.35 2.15 o
-8 3 0 93.35 87.85 1.51 o
-7 3 0 135.76 138.02 2.01 o
-6 3 0 25.63 29.80 0.67 o
-5 3 0 142.64 128.44 1.28 o
-4 3 0 157.02 197.86 1.60 o
-3 3 0 349.69 413.69 3.25 o
-2 3 0 590.48 670.59 6.12 o
0 3 0 48.92 43.60 0.46 o
1 3 0 5038.35 5833.04 326.65 o
2 3 0 68.64 76.45 0.81 o
3 3 0 5338.29 6168.17 104.04 o
4 3 0 63.39 70.16 0.84 o
5 3 0 96.63 81.05 1.24 o
6 3 0 25.08 15.19 0.54 o
7 3 0 104.69 100.56 1.55 o
8 3 0 126.92 126.11 3.16 o
-9 4 0 1.78 2.58 0.53 o
-8 4 0 47.60 55.84 1.13 o
-7 4 0 1587.94 1517.58 17.07 o
-6 4 0 106.35 97.04 1.27 o
-5 4 0 85.01 100.15 0.87 o
-4 4 0 1047.05 1125.66 7.56 o
-3 4 0 22.69 13.44 0.21 o
-2 4 0 754.54 717.72 5.16 o
-1 4 0 2290.84 2345.73 36.35 o
0 4 0 1874.69 1952.05 26.06 o
1 4 0 1423.63 1504.10 20.60 o
2 4 0 89.10 78.70 0.70 o
3 4 0 311.65 316.68 2.32 o
4 4 0 99.99 112.81 1.22 o
5 4 0 120.17 129.31 1.55 o
6 4 0 10.03 11.15 0.51 o
7 4 0 46.54 51.45 1.01 o
-9 5 0 32.99 28.27 1.16 o
-8 5 0 11.75 5.27 0.63 o
-7 5 0 1.72 1.06 0.47 o
-6 5 0 23.10 24.98 0.58 o
-5 5 0 12.11 14.14 0.40 o
-4 5 0 1019.78 1073.17 7.31 o
-3 5 0 320.27 336.02 3.17 o
-2 5 0 348.89 350.53 2.62 o
-1 5 0 2194.69 2220.96 38.84 o
0 5 0 674.71 726.79 6.04 o
1 5 0 603.95 555.30 6.88 o
2 5 0 251.27 261.17 2.24 o
3 5 0 6.52 3.91 0.18 o
4 5 0 32.37 33.38 0.54 o
5 5 0 366.01 334.69 3.78 o
6 5 0 24.10 21.26 0.73 o
7 5 0 0.22 0.21 0.42 o
-9 6 0 3.69 4.88 0.73 o
-8 6 0 126.20 132.51 1.99 o
-7 6 0 129.46 117.86 2.92 o
-6 6 0 694.99 698.61 6.94 o
-5 6 0 105.48 105.83 1.23 o
-4 6 0 1021.46 1004.98 7.10 o
-3 6 0 90.34 82.51 0.73 o
-2 6 0 4.44 4.27 0.15 o
-1 6 0 44.43 50.02 0.65 o
0 6 0 206.53 160.34 1.69 o
1 6 0 317.83 349.57 2.82 o
2 6 0 295.82 301.20 2.47 o
3 6 0 334.77 323.19 2.59 o
4 6 0 7.70 7.74 0.49 o
5 6 0 207.89 217.67 2.85 o
6 6 0 6.49 8.54 0.49 o
7 6 0 71.54 62.82 1.25 o
-9 7 0 11.68 13.24 0.79 o
-8 7 0 42.12 43.49 1.13 o
-7 7 0 53.94 62.21 1.01 o
-6 7 0 205.13 192.99 2.19 o
-5 7 0 14.83 14.43 0.42 o
-4 7 0 305.57 305.89 2.97 o
-3 7 0 49.08 59.12 0.71 o
-2 7 0 466.00 554.43 4.73 o
-1 7 0 854.79 881.11 7.25 o
0 7 0 34.94 45.34 0.62 o
1 7 0 29.80 34.27 0.50 o
2 7 0 1227.27 1216.89 9.93 o
3 7 0 743.42 721.90 6.22 o
4 7 0 29.18 27.25 0.66 o
5 7 0 595.34 588.95 7.21 o
6 7 0 36.27 40.91 1.81 o
-8 8 0 28.20 26.33 0.94 o
-7 8 0 28.37 24.77 0.78 o
-6 8 0 0.78 0.63 0.44 o
-5 8 0 315.65 322.30 3.32 o
-4 8 0 0.19 1.14 0.25 o
-3 8 0 540.71 548.61 4.49 o
-2 8 0 68.84 59.31 0.62 o
-1 8 0 52.31 42.85 0.48 o
0 8 0 19.54 17.37 0.33 o
1 8 0 370.65 367.86 3.50 o
2 8 0 647.61 642.18 5.37 o
3 8 0 345.02 345.86 3.97 o
4 8 0 27.38 26.02 0.96 o
5 8 0 80.19 90.65 1.43 o
6 8 0 100.07 117.33 2.29 o
-8 9 0 4.05 3.07 0.71 o
-7 9 0 14.27 16.46 0.71 o
-6 9 0 45.28 39.61 0.97 o
-5 9 0 86.26 80.47 1.34 o
-4 9 0 320.68 307.39 3.26 o
-3 9 0 71.37 68.47 0.93 o
-2 9 0 230.18 235.89 2.23 o
-1 9 0 182.78 170.32 1.49 o
0 9 0 6.58 7.91 0.38 o
1 9 0 2.33 5.05 0.38 o
2 9 0 210.60 216.09 2.48 o
3 9 0 10.66 11.54 0.48 o
4 9 0 295.17 296.74 3.77 o
5 9 0 0.28 0.27 0.43 o
6 9 0 112.40 112.02 1.79 o
-8 10 0 144.35 144.47 2.54 o
-7 10 0 0.23 0.20 0.62 o
-6 10 0 8.09 8.53 0.66 o
-5 10 0 64.92 58.17 1.12 o
-4 10 0 0.00 0.10 0.44 o
-3 10 0 157.32 159.58 2.10 o
-2 10 0 184.03 175.81 1.76 o
-1 10 0 7.07 6.68 0.34 o
0 10 0 402.56 390.96 3.38 o
1 10 0 5.79 5.81 0.36 o
2 10 0 53.62 50.51 0.85 o
3 10 0 77.10 69.45 1.17 o
4 10 0 498.42 501.36 5.99 o
5 10 0 6.10 6.75 0.61 o
-8 11 0 36.70 34.60 1.68 o
-7 11 0 2.23 1.51 0.66 o
-6 11 0 19.42 23.23 1.28 o
-5 11 0 62.62 63.57 1.37 o
-4 11 0 263.16 270.96 3.58 o
-3 11 0 0.57 1.45 0.32 o
-2 11 0 4.84 5.23 0.31 o
-1 11 0 1.72 2.68 0.28 o
0 11 0 295.60 282.76 2.99 o
1 11 0 103.41 94.54 1.83 o
2 11 0 159.68 167.55 2.38 o
3 11 0 21.72 19.45 0.67 o
4 11 0 84.60 95.76 1.98 o
-7 12 0 0.47 -0.20 0.78 o
-6 12 0 3.20 3.85 0.64 o
-5 12 0 168.56 170.92 2.74 o
-4 12 0 20.57 22.85 0.81 o
-3 12 0 164.32 165.27 2.09 o
-2 12 0 6.51 5.75 0.48 o
-1 12 0 428.20 422.46 4.71 o
0 12 0 138.50 140.34 1.96 o
1 12 0 328.38 327.09 4.56 o
2 12 0 68.80 67.44 1.00 o
3 12 0 5.47 4.78 0.47 o
4 12 0 50.39 49.88 1.37 o
-7 13 0 97.08 94.80 2.13 o
-6 13 0 33.81 31.08 1.15 o
-5 13 0 0.30 0.80 0.75 o
-4 13 0 3.79 5.65 0.54 o
-3 13 0 68.78 66.02 1.12 o
-2 13 0 0.17 -0.57 0.59 o
-1 13 0 30.63 27.97 0.78 o
0 13 0 11.92 11.47 0.63 o
1 13 0 21.96 23.97 0.65 o
2 13 0 26.80 29.71 0.79 o
3 13 0 158.06 171.45 3.04 o
-6 14 0 59.82 64.39 1.55 o
-5 14 0 36.17 35.58 1.13 o
-4 14 0 153.55 151.00 2.46 o
-3 14 0 75.02 70.75 1.16 o
-2 14 0 65.98 64.70 1.10 o
-1 14 0 152.46 151.46 2.45 o
0 14 0 183.74 183.72 2.54 o
1 14 0 45.87 45.71 1.15 o
2 14 0 24.99 23.30 0.94 o
-6 15 0 78.79 84.21 1.71 o
-5 15 0 20.78 21.38 0.81 o
-4 15 0 11.91 10.52 1.15 o
-3 15 0 14.35 13.23 0.60 o
-2 15 0 0.46 1.29 0.48 o
-1 15 0 12.75 14.45 1.16 o
0 15 0 37.19 32.53 0.86 o
1 15 0 0.08 0.05 0.57 o
-5 16 0 70.74 69.98 1.38 o
-4 16 0 16.96 20.80 0.83 o
-3 16 0 37.10 35.28 1.01 o
-2 16 0 24.13 25.13 0.96 o
-1 16 0 4.76 2.69 0.56 o
0 16 0 124.73 131.88 1.88 o
0 -16 1 0.70 0.91 0.46 o
1 -16 1 6.97 6.61 0.72 o
2 -16 1 14.11 15.72 0.70 o
3 -16 1 149.33 152.00 2.05 o
4 -16 1 259.48 272.69 3.61 o
5 -16 1 14.91 14.21 0.66 o
-2 -15 1 47.42 49.53 1.28 o
-1 -15 1 85.37 80.39 1.40 o
0 -15 1 200.34 202.09 2.74 o
1 -15 1 0.05 -0.20 0.42 o
2 -15 1 70.53 72.95 1.78 o
3 -15 1 1.68 1.87 0.47 o
4 -15 1 261.73 286.04 3.69 o
5 -15 1 16.93 14.99 0.70 o
6 -15 1 31.85 30.73 1.06 o
-3 -14 1 30.86 29.56 1.19 o
-2 -14 1 34.01 37.07 1.26 o
-1 -14 1 104.95 104.83 2.81 o
0 -14 1 40.50 39.75 1.57 o
1 -14 1 34.90 34.87 0.92 o
2 -14 1 101.08 101.13 1.46 o
3 -14 1 40.61 39.33 1.24 o
4 -14 1 207.62 215.62 3.28 o
5 -14 1 50.71 49.80 1.74 o
6 -14 1 363.80 368.12 5.36 o
7 -14 1 0.93 1.51 0.66 o
-3 -13 1 0.50 0.39 0.46 o
-2 -13 1 44.22 42.71 0.92 o
-1 -13 1 238.25 244.60 2.69 o
0 -13 1 97.90 88.95 1.58 o
1 -13 1 154.03 152.04 2.26 o
2 -13 1 413.06 419.27 4.69 o
3 -13 1 0.68 1.38 0.47 o
4 -13 1 7.87 6.88 0.58 o
5 -13 1 0.19 0.59 0.57 o
6 -13 1 58.80 57.89 1.45 o
7 -13 1 27.14 33.44 1.22 o
-4 -12 1 118.46 117.27 2.01 o
-3 -12 1 465.32 488.39 5.85 o
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-1 -12 1 409.61 399.90 4.13 o
0 -12 1 78.48 72.74 1.09 o
1 -12 1 17.79 19.20 0.73 o
2 -12 1 24.70 24.93 0.62 o
3 -12 1 139.48 138.59 1.81 o
4 -12 1 4.33 4.20 0.77 o
5 -12 1 115.18 120.28 2.12 o
6 -12 1 0.86 1.34 0.58 o
7 -12 1 123.24 122.81 2.44 o
-5 -11 1 51.67 53.91 1.12 o
-4 -11 1 109.29 121.90 1.77 o
-3 -11 1 77.72 78.73 2.31 o
-2 -11 1 204.39 206.21 2.33 o
-1 -11 1 137.55 134.63 1.70 o
0 -11 1 598.20 574.32 5.40 o
1 -11 1 80.80 71.23 1.04 o
2 -11 1 328.02 338.82 4.36 o
3 -11 1 44.04 38.37 0.84 o
4 -11 1 39.44 34.83 1.02 o
5 -11 1 633.55 650.07 7.74 o
6 -11 1 63.32 61.01 1.27 o
7 -11 1 58.58 60.38 1.31 o
8 -11 1 128.14 125.61 2.79 o
-5 -10 1 91.88 101.58 1.74 o
-4 -10 1 50.52 52.98 1.17 o
-3 -10 1 33.73 33.00 0.84 o
-2 -10 1 7.59 7.88 0.44 o
-1 -10 1 119.70 114.09 1.59 o
0 -10 1 157.10 134.14 1.32 o
1 -10 1 1.13 1.03 0.21 o
2 -10 1 488.08 484.75 4.15 o
3 -10 1 365.80 375.43 3.30 o
4 -10 1 16.63 15.48 0.75 o
5 -10 1 11.35 8.66 0.55 o
6 -10 1 239.66 240.39 3.73 o
7 -10 1 0.25 0.57 0.56 o
8 -10 1 6.20 9.32 0.98 o
-6 -9 1 10.22 10.59 0.58 o
-5 -9 1 20.08 17.05 0.65 o
-4 -9 1 165.10 154.55 2.15 o
-3 -9 1 198.22 184.08 2.21 o
-2 -9 1 671.93 650.33 5.72 o
-1 -9 1 427.49 419.41 4.24 o
0 -9 1 731.60 703.98 5.58 o
1 -9 1 11.26 10.76 0.30 o
2 -9 1 467.28 499.50 4.28 o
3 -9 1 31.23 30.04 0.47 o
4 -9 1 78.22 84.14 1.00 o
5 -9 1 19.11 16.19 0.63 o
6 -9 1 41.71 44.43 0.96 o
7 -9 1 16.52 17.48 0.74 o
8 -9 1 62.64 60.95 1.48 o
-6 -8 1 0.12 0.09 0.64 o
-5 -8 1 0.29 0.07 0.55 o
-4 -8 1 426.15 399.05 4.99 o
-3 -8 1 27.81 29.08 0.61 o
-2 -8 1 344.18 316.09 2.76 o
-1 -8 1 314.37 303.67 2.77 o
0 -8 1 519.38 477.59 3.82 o
1 -8 1 43.61 55.46 0.57 o
2 -8 1 515.99 584.60 4.70 o
3 -8 1 1151.02 1247.84 9.82 o
4 -8 1 41.22 33.11 0.55 o
5 -8 1 50.03 35.79 0.67 o
6 -8 1 181.10 178.99 2.26 o
7 -8 1 107.31 102.73 1.55 o
8 -8 1 68.94 70.93 1.39 o
-7 -7 1 198.38 219.95 3.33 o
-6 -7 1 33.68 33.66 0.87 o
-5 -7 1 395.45 395.19 4.82 o
-4 -7 1 9.76 15.45 0.58 o
-3 -7 1 21.88 16.91 0.38 o
-2 -7 1 0.46 2.47 0.19 o
-1 -7 1 396.78 392.12 3.16 o
0 -7 1 59.15 55.65 0.68 o
1 -7 1 175.89 167.52 1.38 o
2 -7 1 1935.42 2061.29 13.77 o
3 -7 1 533.31 513.73 3.86 o
4 -7 1 435.86 408.11 3.43 o
5 -7 1 141.97 134.84 1.49 o
6 -7 1 46.25 41.12 0.75 o
7 -7 1 355.83 338.21 3.89 o
8 -7 1 13.72 13.65 1.23 o
9 -7 1 6.81 6.47 0.64 o
-7 -6 1 106.57 102.71 1.71 o
-6 -6 1 299.90 309.67 5.23 o
-5 -6 1 644.90 606.52 6.57 o
-4 -6 1 196.62 189.77 2.27 o
-3 -6 1 7.74 10.65 0.30 o
-2 -6 1 159.98 191.56 1.56 o
-1 -6 1 60.11 80.67 0.78 o
0 -6 1 445.96 469.38 4.41 o
1 -6 1 1825.81 1904.65 27.69 o
2 -6 1 650.12 672.49 4.75 o
3 -6 1 290.00 267.97 2.01 o
4 -6 1 549.99 513.89 3.88 o
5 -6 1 0.16 1.01 0.22 o
6 -6 1 0.57 1.00 0.30 o
7 -6 1 0.66 0.38 0.45 o
8 -6 1 46.11 46.21 1.73 o
9 -6 1 26.88 29.16 1.21 o
-7 -5 1 123.68 125.39 1.67 o
-6 -5 1 330.79 359.70 4.49 o
-5 -5 1 51.10 44.39 0.80 o
-4 -5 1 415.02 424.60 3.68 o
-3 -5 1 431.30 460.56 3.45 o
-2 -5 1 19.70 21.83 0.33 o
-1 -5 1 27.80 25.16 0.36 o
0 -5 1 1371.25 1400.85 12.51 o
1 -5 1 554.99 558.48 5.08 o
2 -5 1 2426.88 2631.37 28.79 o
3 -5 1 949.73 1033.67 7.00 o
4 -5 1 151.89 135.34 1.11 o
5 -5 1 13.47 17.56 0.40 o
6 -5 1 35.42 31.74 0.80 o
7 -5 1 34.26 33.09 1.00 o
8 -5 1 95.97 88.14 2.06 o
9 -5 1 55.52 60.57 1.51 o
-8 -4 1 0.52 0.43 0.46 o
-7 -4 1 43.90 49.58 0.99 o
-6 -4 1 457.71 450.11 5.75 o
-5 -4 1 134.43 150.18 1.74 o
-4 -4 1 545.51 516.29 4.04 o
-3 -4 1 73.76 69.52 0.66 o
-2 -4 1 33.16 28.55 0.48 o
-1 -4 1 45.07 50.14 0.56 o
0 -4 1 2593.52 2603.30 70.36 o
1 -4 1 484.25 549.08 4.76 o
2 -4 1 803.98 845.48 6.91 o
3 -4 1 2044.26 2199.09 15.16 o
4 -4 1 99.84 109.71 0.99 o
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6 -4 1 32.66 30.56 0.68 o
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8 -4 1 10.48 9.55 0.59 o
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-5 -3 1 431.95 435.24 4.18 o
-4 -3 1 860.66 841.60 6.23 o
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-1 -3 1 225.99 210.53 2.75 o
0 -3 1 2350.41 2595.17 69.75 o
1 -3 1 1178.57 1305.31 15.68 o
2 -3 1 38.41 26.33 0.27 o
3 -3 1 2942.89 3064.99 31.23 o
4 -3 1 896.56 922.86 6.50 o
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6 -3 1 78.22 73.53 1.13 o
7 -3 1 130.29 125.20 3.51 o
8 -3 1 4.12 2.48 0.45 o
9 -3 1 1.80 1.82 0.52 o
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-5 -2 1 95.98 79.49 0.95 o
-4 -2 1 0.48 0.94 0.14 o
-3 -2 1 65.54 67.16 0.64 o
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1 -2 1 1510.72 1626.26 31.20 o
2 -2 1 1403.18 1410.10 14.84 o
3 -2 1 3680.48 4129.28 63.00 o
4 -2 1 427.04 491.65 3.68 o
5 -2 1 162.24 150.74 1.37 o
6 -2 1 50.77 47.97 1.04 o
7 -2 1 49.90 33.30 1.33 o
8 -2 1 40.92 48.87 1.05 o
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-7 -1 1 109.72 113.34 1.57 o
-6 -1 1 155.08 146.46 1.98 o
-5 -1 1 588.61 621.07 5.36 o
-4 -1 1 34.60 27.77 0.51 o
-3 -1 1 0.68 3.80 0.16 o
-2 -1 1 2.42 1.82 0.20 o
-1 -1 1 264.02 301.61 2.61 o
1 -1 1 183.77 195.41 1.48 o
2 -1 1 500.68 520.92 4.34 o
3 -1 1 3700.59 3880.28 73.99 o
4 -1 1 1341.45 1544.40 10.59 o
5 -1 1 62.67 84.84 0.83 o
6 -1 1 750.68 675.50 7.28 o
7 -1 1 11.05 7.01 0.54 o
8 -1 1 2.36 3.14 0.49 o
-8 0 1 118.15 119.12 2.10 o
-7 0 1 49.52 56.79 1.79 o
-6 0 1 1.61 2.73 0.31 o
-5 0 1 1514.56 1537.05 12.65 o
-4 0 1 1297.14 1378.53 9.98 o
-3 0 1 545.57 565.13 4.71 o
-2 0 1 1071.99 1113.28 9.01 o
-1 0 1 441.94 460.25 3.78 o
0 0 1 1957.37 2219.72 41.96 o
1 0 1 3113.85 3384.64 90.82 o
2 0 1 149.11 132.44 1.47 o
3 0 1 2041.26 2499.88 26.83 o
4 0 1 878.73 897.79 6.34 o
5 0 1 63.33 72.69 0.80 o
6 0 1 915.08 861.10 8.71 o
7 0 1 58.24 41.76 1.19 o
8 0 1 80.89 87.68 1.44 o
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