#------------------------------------------------------------------------------
#$Date: 2022-06-28 04:47:49 +0300 (Tue, 28 Jun 2022) $
#$Revision: 276306 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/26/2022623.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_2022623
_cell_angle_alpha                90.000
_cell_angle_beta                 98.646
_cell_angle_gamma                90.000
_cell_length_a                   6.2591
_cell_length_b                   11.1312
_cell_length_c                   17.2257
_exptl_crystal_F_000             640.00
_reflns_d_resolution_high        0.8295
_cod_data_source_file            zo3022IIsup3.hkl
_cod_data_source_block           II
_shelx_title                     ' sathya17t1_a.res in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            404.77
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 2 291.76 216.47 1.10 o
0 0 4 1156.42 978.59 3.30 o
0 0 6 565.67 483.72 2.95 o
0 0 8 2712.45 2992.51 6.14 o
0 0 10 9.86 15.14 0.72 o
0 0 12 124.24 113.10 2.54 o
0 0 14 97.59 107.80 2.90 o
0 0 16 6.16 7.24 1.56 o
0 0 -18 254.38 257.28 3.43 o
0 0 -20 0.06 -0.16 1.06 o
0 1 1 723.26 489.99 1.87 o
0 -1 2 237.81 184.35 0.60 o
0 -1 3 316.20 275.34 0.88 o
0 -1 4 419.44 378.61 1.48 o
0 1 5 31.66 21.46 0.61 o
0 1 6 1004.01 1052.36 3.04 o
0 1 7 393.12 436.79 1.74 o
0 -1 8 218.48 231.09 1.24 o
0 -1 9 1371.01 1559.30 2.85 o
0 1 10 533.76 493.58 1.49 o
0 -1 11 926.41 938.01 2.48 o
0 -1 -12 374.11 377.59 1.71 o
0 1 13 163.80 158.55 1.61 o
0 -1 14 51.22 52.75 1.79 o
0 1 15 31.06 38.44 1.25 o
0 1 16 117.38 102.08 1.57 o
0 1 17 158.09 148.19 1.94 o
0 -1 -18 4.56 4.18 1.57 o
0 -1 -19 1.89 0.76 1.56 o
0 -1 19 5.27 3.81 1.16 o
0 -1 20 9.75 8.48 0.76 o
0 -2 0 148.01 137.00 1.02 o
0 -2 1 1762.68 1622.74 1.28 o
0 2 2 2538.87 2263.86 3.13 o
0 -2 3 672.57 638.08 1.32 o
0 -2 4 52.31 35.17 0.49 o
0 2 5 157.09 142.22 0.88 o
0 -2 6 171.15 187.24 1.35 o
0 2 7 495.97 492.77 1.40 o
0 2 8 26.27 34.61 0.50 o
0 2 9 119.54 148.50 1.08 o
0 2 10 66.05 48.89 0.63 o
0 2 11 5.61 4.20 0.62 o
0 -2 12 127.63 124.53 1.18 o
0 -2 13 19.45 22.18 0.89 o
0 2 14 6.05 4.04 0.89 o
0 -2 15 425.14 386.98 1.93 o
0 -2 -16 48.19 44.01 1.52 o
0 -2 -17 10.38 7.66 1.24 o
0 -2 -18 20.59 28.19 1.66 o
0 -2 -19 1.82 1.24 1.57 o
0 -2 19 1.98 1.69 1.26 o
0 -2 -20 27.15 30.90 0.92 o
0 -3 -1 23.74 20.01 0.29 o
0 -3 2 236.25 223.32 0.62 o
0 3 3 96.36 84.69 0.68 o
0 3 4 650.62 588.35 1.46 o
0 3 5 942.75 978.59 2.15 o
0 -3 6 286.36 290.57 1.03 o
0 3 7 482.45 465.87 1.25 o
0 3 8 271.85 248.30 1.02 o
0 -3 -9 551.00 581.77 2.04 o
0 3 10 63.83 60.15 0.76 o
0 -3 11 123.42 116.99 1.16 o
0 -3 12 769.98 735.76 2.61 o
0 -3 13 1460.92 1548.46 3.82 o
0 3 14 972.14 956.44 1.98 o
0 -3 -15 0.03 1.79 0.79 o
0 -3 -16 121.04 120.04 1.81 o
0 -3 17 10.32 12.40 1.18 o
0 3 17 25.64 29.72 2.87 o
0 3 18 1.33 0.67 1.12 o
0 -3 -19 0.60 0.84 1.43 o
0 -3 19 2.37 0.49 1.04 o
0 -4 0 2838.84 3592.40 7.66 o
0 -4 1 736.54 679.34 2.03 o
0 -4 2 6.75 7.70 0.20 o
0 4 3 6.68 8.50 0.28 o
0 -4 4 0.23 0.44 0.23 o
0 4 5 358.26 408.40 1.05 o
0 -4 6 1.07 1.90 0.36 o
0 4 7 2.53 4.70 0.40 o
0 -4 8 1.31 2.35 0.40 o
0 -4 9 492.12 471.62 1.78 o
0 4 10 45.60 49.15 0.87 o
0 4 11 44.43 40.39 0.90 o
0 -4 12 80.82 78.33 1.15 o
0 -4 13 128.44 134.26 1.19 o
0 4 14 379.98 372.00 1.35 o
0 -4 -15 0.62 0.83 0.93 o
0 -4 16 56.14 48.70 1.02 o
0 -4 -17 78.83 80.97 1.43 o
0 4 17 131.95 131.49 3.40 o
0 -4 -18 7.83 9.39 1.02 o
0 -4 -19 4.71 4.58 0.99 o
0 -4 19 9.92 12.02 1.13 o
0 -5 1 310.22 242.00 1.42 o
0 5 2 474.32 489.96 1.20 o
0 -5 3 577.29 576.15 1.08 o
0 -5 4 370.49 393.40 0.84 o
0 -5 -5 301.05 358.25 0.91 o
0 -5 6 592.61 622.55 1.50 o
0 -5 7 103.50 85.07 0.59 o
0 -5 -8 78.71 90.26 0.70 o
0 -5 9 80.00 80.95 0.92 o
0 -5 10 35.89 36.15 0.90 o
0 -5 11 185.23 192.54 1.50 o
0 -5 12 149.30 155.29 1.30 o
0 5 13 216.07 224.80 1.09 o
0 -5 14 0.84 0.81 0.66 o
0 -5 15 15.08 19.16 0.87 o
0 -5 -16 6.29 6.79 0.77 o
0 -5 17 23.10 22.62 0.84 o
0 5 17 55.70 48.80 2.94 o
0 -5 18 2.28 2.76 0.90 o
0 -5 19 31.08 36.38 1.51 o
0 6 0 89.76 80.21 0.76 o
0 -6 -1 847.76 855.75 1.37 o
0 -6 2 101.97 94.17 0.62 o
0 -6 -3 247.51 261.17 0.96 o
0 -6 4 28.99 28.98 0.52 o
0 -6 -5 26.96 19.51 0.43 o
0 -6 -6 294.43 322.40 1.22 o
0 -6 -7 581.20 600.75 1.70 o
0 -6 -8 0.34 0.41 0.60 o
0 -6 9 139.64 127.39 1.56 o
0 -6 -10 519.40 542.41 2.64 o
0 -6 -11 626.47 637.84 2.01 o
0 -6 -12 315.38 368.42 1.36 o
0 -6 -13 129.18 119.99 0.95 o
0 -6 14 0.10 -0.32 0.78 o
0 -6 15 18.14 16.62 0.73 o
0 -6 16 31.33 31.77 0.72 o
0 -6 -17 6.13 7.00 0.79 o
0 -6 18 84.13 112.00 1.29 o
0 7 1 1.68 1.95 0.38 o
0 -7 -2 194.78 186.00 0.87 o
0 -7 -3 8.61 9.83 0.49 o
0 -7 4 159.57 164.42 1.10 o
0 -7 -5 70.30 77.02 0.88 o
0 -7 6 47.56 52.17 0.91 o
0 -7 -7 0.08 -0.04 0.69 o
0 -7 -8 6.70 7.62 0.79 o
0 -7 -9 66.87 71.84 1.46 o
0 -7 10 91.21 98.51 1.05 o
0 -7 -10 161.93 179.97 1.55 o
0 -7 11 39.38 48.37 0.68 o
0 -7 12 177.63 180.26 1.07 o
0 -7 -13 171.66 175.26 1.24 o
0 -7 -14 41.37 41.57 0.83 o
0 -7 -15 15.71 16.48 0.69 o
0 -7 16 0.91 1.70 0.64 o
0 -7 17 46.30 54.49 0.84 o
0 -8 0 97.19 93.78 1.19 o
0 -8 -1 0.83 2.21 0.52 o
0 -8 2 37.02 38.24 0.84 o
0 -8 -3 135.23 146.71 1.26 o
0 -8 4 0.11 0.34 0.69 o
0 -8 -5 82.16 80.72 1.27 o
0 -8 6 299.60 279.51 2.04 o
0 -8 7 58.94 58.35 1.23 o
0 -8 -8 320.82 307.92 1.15 o
0 -8 -8 430.07 424.95 4.66 o
0 -8 -9 58.46 52.38 0.90 o
0 -8 -10 85.91 67.57 0.92 o
0 -8 10 270.44 250.09 1.83 o
0 -8 11 239.22 207.29 1.09 o
0 -8 -12 67.44 71.61 0.90 o
0 -8 13 202.04 219.42 1.27 o
0 -8 -14 2.43 2.39 0.63 o
0 -8 -15 35.10 36.58 0.68 o
0 -8 16 4.16 4.84 0.76 o
0 -9 -1 373.10 396.44 2.00 o
0 -9 2 1079.58 1158.44 3.34 o
0 -9 -3 308.67 297.46 1.81 o
0 -9 4 2.37 2.72 0.59 o
0 -9 -5 214.62 219.62 0.94 o
0 -9 6 68.02 62.07 0.66 o
0 -9 7 95.17 83.80 0.72 o
0 -9 -8 67.34 70.19 0.78 o
0 -9 8 109.20 113.11 2.32 o
0 -9 -9 10.35 9.77 0.88 o
0 -9 10 7.41 10.90 0.93 o
0 -9 10 291.91 275.63 1.85 o
0 -9 -11 87.38 85.66 0.84 o
0 -9 -12 6.05 7.09 0.64 o
0 -9 -13 14.41 13.06 0.64 o
0 -9 -14 28.32 28.13 0.61 o
0 -9 -15 0.06 0.22 0.86 o
0 -10 0 9.72 14.43 0.91 o
0 -10 1 189.81 206.82 0.90 o
0 -10 -1 364.45 418.34 3.40 o
0 -10 2 194.05 193.55 0.86 o
0 -10 3 139.36 142.64 0.80 o
0 -10 4 6.44 3.71 0.53 o
0 -10 5 234.65 217.59 1.01 o
0 -10 -6 0.30 0.38 0.64 o
0 -10 7 286.62 284.77 1.20 o
0 -10 -8 43.28 48.95 0.82 o
0 -10 -8 488.73 472.27 3.25 o
0 -10 9 36.58 31.21 0.83 o
0 -10 10 2.66 2.30 0.72 o
0 -10 -10 27.00 27.86 1.42 o
0 -10 -11 0.07 0.62 0.56 o
0 -10 -12 6.46 5.79 0.56 o
0 -10 13 39.49 43.13 0.72 o
0 -11 1 344.13 366.41 1.37 o
0 -11 1 660.73 708.07 3.89 o
0 -11 2 15.37 17.50 0.71 o
0 -11 3 165.12 187.63 0.98 o
0 -11 -4 46.29 50.66 0.74 o
0 -11 5 18.75 19.47 0.68 o
0 -11 -6 15.29 14.90 0.65 o
0 -11 7 27.18 26.59 0.65 o
0 -11 8 27.88 35.42 0.74 o
0 -11 -8 48.72 53.92 2.47 o
0 -11 9 33.41 44.07 0.95 o
0 -11 -10 21.69 19.95 0.93 o
0 -11 -10 21.70 23.96 1.13 o
0 -11 11 0.19 0.16 0.64 o
0 -12 0 12.78 16.90 1.24 o
0 -12 -1 74.80 69.80 1.15 o
0 -12 1 143.62 138.06 1.68 o
0 -12 2 0.61 0.53 0.78 o
0 -12 3 2.57 3.46 0.70 o
0 -12 -4 6.79 8.43 0.69 o
0 -12 -5 0.99 1.97 0.64 o
0 -12 6 3.81 4.29 0.69 o
0 -12 7 99.66 128.54 0.98 o
0 -12 -8 29.59 35.34 1.14 o
0 -12 8 48.70 50.85 1.87 o
0 -12 9 9.96 11.80 1.21 o
-1 0 20 53.68 59.29 1.42 o
-1 0 18 13.85 22.36 2.06 o
-1 0 16 238.01 281.04 3.05 o
1 0 -14 15.40 16.48 1.36 o
-1 0 12 168.31 158.31 1.34 o
-1 0 10 227.62 245.52 1.59 o
-1 0 8 495.19 517.16 2.54 o
-1 0 6 246.54 238.01 2.17 o
-1 0 4 3438.23 3858.11 5.14 o
-1 0 2 80.23 56.28 0.48 o
1 0 0 2.19 3.27 0.27 o
1 0 2 4.64 2.42 0.50 o
1 0 4 2913.79 2172.08 6.59 o
1 0 6 606.09 503.98 3.23 o
1 0 8 428.03 428.38 2.42 o
1 0 10 62.62 61.84 1.94 o
1 0 12 54.90 50.48 2.11 o
1 0 14 1.85 1.85 1.45 o
1 0 16 187.46 206.80 3.71 o
1 0 18 28.71 30.79 1.39 o
-1 1 20 4.25 4.05 0.76 o
1 -1 -19 1.22 0.35 1.20 o
-1 1 18 134.79 135.06 2.26 o
-1 1 17 1.42 1.18 1.48 o
-1 -1 17 2.73 4.32 2.83 o
-1 -1 16 39.72 51.18 1.19 o
-1 -1 15 23.12 22.52 1.02 o
-1 -1 14 3.03 3.64 1.01 o
-1 1 13 17.97 15.11 0.79 o
1 1 -12 0.16 2.82 0.58 o
1 1 -11 86.25 94.14 0.88 o
-1 -1 10 187.41 227.56 1.24 o
-1 -1 9 1458.98 1682.90 3.55 o
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-1 -1 7 3253.57 3294.83 4.39 o
-1 -1 6 113.92 109.84 0.91 o
-1 1 5 116.61 117.63 0.85 o
-1 -1 4 14.01 14.12 0.43 o
-1 1 3 557.19 475.04 1.14 o
-1 1 2 3557.76 4016.68 2.53 o
-1 -1 1 64.77 52.35 0.30 o
1 1 0 887.48 873.21 1.16 o
1 1 1 0.01 0.43 0.33 o
1 1 2 3892.72 4269.56 4.79 o
1 -1 3 341.21 290.58 1.33 o
1 -1 4 14.72 15.18 0.55 o
1 1 5 338.67 316.21 1.65 o
1 1 6 35.89 30.12 0.63 o
1 1 7 3029.01 3090.27 4.31 o
1 -1 8 1182.14 1168.01 2.80 o
1 -1 9 1023.12 1141.84 2.50 o
1 -1 10 152.73 170.23 1.14 o
-1 -1 -11 63.93 70.42 0.94 o
1 1 12 0.29 0.76 1.05 o
1 1 13 33.85 31.37 1.54 o
1 -1 14 17.01 16.69 0.95 o
1 1 15 4.45 4.91 1.02 o
1 1 16 10.50 11.12 1.40 o
-1 -1 -17 6.69 6.00 1.02 o
-1 -1 -18 89.38 87.19 1.42 o
-1 1 -19 2.26 1.73 1.06 o
-1 2 20 12.75 15.68 0.68 o
1 -2 -19 4.67 13.26 1.19 o
-1 2 18 147.20 147.71 2.27 o
-1 -2 17 18.02 19.66 1.69 o
-1 2 17 34.59 33.40 3.05 o
-1 2 16 12.59 11.62 1.17 o
1 -2 -15 127.73 127.35 1.20 o
-1 -2 14 0.60 0.32 0.88 o
1 -2 -13 2.04 2.41 0.78 o
-1 -2 12 8.10 8.96 0.72 o
-1 -2 11 0.53 0.65 0.53 o
-1 -2 10 23.24 22.54 0.56 o
-1 -2 9 116.04 152.48 1.25 o
-1 -2 8 47.31 48.25 0.60 o
-1 2 7 16.18 13.14 0.44 o
-1 2 6 31.00 22.93 0.58 o
-1 -2 5 1333.81 1300.96 2.61 o
-1 2 4 209.66 205.45 0.97 o
-1 2 3 1555.55 1450.90 2.33 o
-1 2 2 6128.91 7234.32 4.04 o
-1 -2 1 270.03 264.47 0.54 o
-1 -2 0 59.80 63.41 0.44 o
1 -2 1 162.63 147.49 0.66 o
1 2 2 5422.16 6153.98 5.86 o
1 -2 3 1133.85 1116.82 2.55 o
1 2 4 319.65 272.25 1.39 o
1 -2 5 1294.58 1242.02 3.19 o
1 -2 6 101.08 83.66 0.74 o
1 -2 7 11.55 14.19 0.43 o
1 2 8 5.10 6.51 0.41 o
1 2 9 155.03 158.45 1.13 o
1 -2 10 19.49 22.81 0.71 o
-1 -2 -11 0.54 0.65 0.66 o
1 -2 12 15.85 16.82 0.85 o
1 -2 13 0.23 -0.17 1.27 o
1 2 14 0.11 0.40 0.93 o
1 -2 15 221.76 210.52 1.31 o
-1 -2 -16 4.57 3.63 0.93 o
1 -2 17 0.80 0.74 0.86 o
-1 -2 -18 120.00 113.60 1.45 o
1 -2 19 3.43 6.88 1.17 o
-1 -3 20 34.86 37.87 0.91 o
1 -3 -19 31.74 33.35 1.75 o
-1 -3 19 60.95 61.81 1.51 o
1 -3 -18 141.96 144.81 2.01 o
1 3 -17 18.28 11.22 1.61 o
-1 -3 17 35.10 30.65 2.06 o
-1 -3 16 285.37 293.04 2.03 o
-1 3 15 74.62 76.72 0.91 o
-1 -3 14 28.44 26.63 0.77 o
-1 3 13 186.02 201.19 1.56 o
-1 -3 12 76.11 77.88 1.09 o
-1 -3 11 49.42 52.48 0.91 o
-1 -3 10 35.97 27.72 0.65 o
-1 3 9 557.32 653.41 2.38 o
1 -3 -8 0.11 1.66 0.43 o
-1 3 7 49.66 61.12 0.64 o
1 -3 -6 471.40 493.92 1.54 o
1 -3 -5 1977.96 2082.04 2.93 o
-1 3 4 234.27 191.51 0.96 o
-1 3 3 734.40 692.27 1.42 o
-1 -3 2 279.56 303.99 0.82 o
-1 -3 1 10.83 9.73 0.21 o
-1 -3 0 519.75 526.04 0.98 o
1 3 1 89.97 80.91 0.53 o
1 3 2 985.79 989.79 1.86 o
1 -3 3 1349.67 1302.14 2.74 o
1 -3 4 75.48 93.98 0.90 o
-1 -3 -5 1247.13 1236.27 2.31 o
1 3 6 63.12 73.18 0.59 o
1 -3 7 78.89 83.20 0.67 o
-1 -3 -8 3.68 3.28 0.43 o
1 3 9 510.55 556.68 2.09 o
-1 -3 -10 0.00 0.33 0.63 o
1 -3 11 30.30 31.44 0.89 o
-1 -3 -12 0.54 2.40 0.81 o
1 -3 13 114.90 130.09 1.06 o
1 -3 14 0.00 0.93 0.79 o
1 -3 15 50.35 52.69 1.02 o
-1 -3 -16 307.03 312.65 1.79 o
1 3 17 27.62 25.15 0.85 o
1 3 18 115.22 113.00 1.37 o
1 -3 19 47.37 45.68 1.47 o
1 -4 -19 45.37 49.65 1.27 o
1 -4 -19 87.10 93.15 1.84 o
-1 -4 18 40.28 42.65 1.34 o
1 -4 -17 97.91 100.45 2.78 o
-1 4 17 187.98 173.04 2.02 o
-1 4 16 203.08 185.90 1.71 o
-1 -4 15 274.40 265.20 1.61 o
1 -4 -14 42.35 48.82 0.81 o
-1 4 13 727.24 727.14 2.52 o
-1 4 12 19.13 16.63 0.85 o
-1 -4 11 48.69 50.71 0.94 o
-1 -4 10 132.21 125.54 1.03 o
-1 4 9 474.71 475.46 1.72 o
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-1 -4 7 393.30 467.35 1.48 o
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-1 -4 4 1058.04 1206.86 1.82 o
-1 4 3 225.99 219.87 0.64 o
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1 -4 -1 0.07 1.89 0.32 o
-1 -4 0 37.80 34.64 0.43 o
1 -4 1 318.55 291.93 1.39 o
1 4 2 142.19 119.86 0.58 o
-1 -4 -3 538.34 534.18 1.15 o
1 -4 4 1019.72 1107.18 1.93 o
1 -4 5 2974.16 3104.28 3.45 o
1 4 6 77.60 81.91 0.64 o
1 -4 7 20.50 30.61 0.54 o
-1 -4 -8 58.57 50.95 0.66 o
1 -4 9 160.78 158.55 1.50 o
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1 -4 11 23.63 26.08 0.89 o
1 -4 12 6.99 7.02 0.89 o
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-1 -4 -14 6.83 7.65 0.69 o
1 -4 15 98.63 92.02 1.07 o
-1 -4 -16 300.21 280.45 1.52 o
1 -4 17 34.29 30.75 0.82 o
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1 -5 -18 131.97 166.43 1.73 o
-1 -5 17 8.30 6.89 1.03 o
1 -5 -17 15.93 15.52 1.78 o
1 -5 -16 117.01 118.55 1.27 o
-1 -5 15 114.56 118.41 1.13 o
1 -5 -14 209.43 203.67 1.11 o
1 -5 -13 180.81 178.37 1.05 o
1 -5 -12 15.81 15.50 0.83 o
-1 -5 11 411.33 380.73 1.69 o
-1 -5 10 317.31 310.91 1.72 o
-1 5 10 350.32 375.15 3.52 o
-1 5 9 79.54 78.64 0.98 o
-1 5 8 249.55 244.18 0.94 o
-1 -5 7 97.75 93.13 0.63 o
1 -5 -6 383.76 401.82 1.03 o
-1 5 5 340.71 352.60 0.92 o
-1 5 4 875.00 877.86 1.88 o
1 -5 -3 252.56 301.01 0.99 o
-1 5 2 1813.34 2011.60 2.39 o
-1 -5 1 402.47 402.40 1.15 o
-1 -5 0 1346.54 827.57 2.78 o
1 5 1 306.62 140.20 1.53 o
1 -5 2 1795.74 2031.35 2.30 o
1 -5 3 529.52 575.99 1.11 o
1 5 4 538.07 526.33 1.17 o
1 -5 5 98.49 106.25 0.63 o
1 -5 6 254.78 276.67 0.90 o
1 -5 7 96.76 90.22 0.69 o
1 -5 8 301.40 298.44 1.13 o
1 -5 9 46.19 47.28 1.01 o
1 -5 10 405.06 423.99 2.02 o
1 -5 11 413.87 387.23 2.03 o
1 5 12 0.17 0.60 0.60 o
1 5 13 35.60 36.29 0.67 o
1 -5 14 178.12 166.68 1.10 o
1 5 15 44.73 50.35 0.93 o
1 -5 16 99.43 99.26 0.96 o
-1 -5 -17 14.01 13.81 0.71 o
1 -5 18 90.83 112.13 1.86 o
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1 -6 -17 0.37 0.56 0.79 o
-1 -6 17 0.71 0.99 1.58 o
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