#------------------------------------------------------------------------------
#$Date: 2019-04-02 05:42:27 +0300 (Tue, 02 Apr 2019) $
#$Revision: 214447 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/06/2300648.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_2300648
_cell_angle_alpha                90.000
_cell_angle_beta                 99.368
_cell_angle_gamma                90.000
_cell_length_a                   6.4259
_cell_length_b                   6.3637
_cell_length_c                   17.1683
_exptl_crystal_F_000             368.00
_reflns_d_resolution_high        1.2983
_cod_data_source_file            kc5091Collection_3_vitamin_Csup4.hkl
_cod_data_source_block           Collection_3_vitamin_C
_shelx_title                     ' CMM180068_BeBe_0m in P2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            166.93
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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
0 -4 0 3997.93 3622.32 170.54 o
1 -4 0 84.91 57.17 25.16 o
2 -4 0 184.88 146.15 48.22 o
1 -3 0 569.75 564.18 25.01 o
2 -3 0 11.35 21.11 30.53 o
3 -3 0 651.79 671.66 66.31 o
0 -2 0 27857.39 25929.27 489.56 o
1 -2 0 280.91 369.75 37.78 o
2 -2 0 74.48 98.34 24.55 o
3 -2 0 77.48 27.34 26.73 o
4 -2 0 591.73 683.48 72.65 o
1 -1 0 3469.22 3058.61 63.48 o
2 -1 0 109.26 240.16 33.55 o
3 -1 0 2218.95 2310.11 43.38 o
4 -1 0 917.78 1025.58 39.58 o
1 0 0 441.87 376.86 8.53 o
2 0 0 7.26 18.56 10.09 o
3 0 0 3.24 9.35 20.81 o
4 0 0 1598.57 1659.40 45.57 o
1 1 0 3467.52 3105.18 104.36 o
2 1 0 109.31 210.04 17.44 o
3 1 0 2218.76 2294.90 42.74 o
4 1 0 917.63 1047.66 60.37 o
0 2 0 27866.53 25425.97 459.24 o
1 2 0 280.91 375.90 25.61 o
2 2 0 74.53 134.49 32.45 o
3 2 0 77.68 21.37 33.00 o
4 2 0 591.93 592.59 144.91 o
1 3 0 569.69 562.55 26.93 o
2 3 0 11.34 6.02 34.95 o
3 3 0 651.41 597.27 57.10 o
0 4 0 3995.58 3505.71 97.64 o
1 4 0 84.97 87.44 21.89 o
2 4 0 184.89 99.96 66.45 o
-2 -4 1 562.90 515.10 53.76 o
-1 -4 1 89.17 57.28 18.80 o
0 -4 1 0.71 -10.62 19.24 o
1 -4 1 42.60 113.60 41.78 o
2 -4 1 331.93 332.97 47.22 o
-3 -3 1 26.96 54.94 33.71 o
-2 -3 1 91.32 88.45 28.77 o
-1 -3 1 349.36 312.67 21.17 o
0 -3 1 0.67 -2.53 14.47 o
1 -3 1 56.00 44.28 14.54 o
2 -3 1 371.68 286.11 24.36 o
3 -3 1 82.89 62.09 32.83 o
-4 -2 1 35.05 61.03 36.46 o
-3 -2 1 715.84 809.04 51.39 o
-2 -2 1 610.26 593.37 64.99 o
0 -2 1 9.76 5.63 10.66 o
1 -2 1 199.17 211.35 66.45 o
2 -2 1 174.87 168.90 52.58 o
3 -2 1 178.28 178.95 34.52 o
4 -2 1 167.84 127.93 39.99 o
-4 -1 1 78.26 62.99 25.18 o
-3 -1 1 299.68 263.14 18.68 o
-2 -1 1 308.74 369.88 24.31 o
-1 -1 1 3197.48 3037.31 35.87 o
0 -1 1 7.53 4.01 3.39 o
1 -1 1 1072.80 1108.42 19.49 o
2 -1 1 599.73 829.93 37.02 o
3 -1 1 306.53 311.29 27.11 o
4 -1 1 21.22 10.81 20.27 o
-4 0 1 6.39 0.38 18.54 o
-3 0 1 2671.24 2580.76 46.73 o
-2 0 1 732.62 587.85 18.90 o
-1 0 1 678.58 649.26 11.95 o
0 0 1 1.52 0.12 0.41 o
1 0 1 1278.16 1095.29 18.57 o
2 0 1 2295.92 2541.21 42.26 o
3 0 1 422.88 486.83 28.15 o
4 0 1 20.15 -8.02 19.15 o
-4 1 1 78.32 63.28 18.51 o
-3 1 1 299.74 270.65 20.07 o
-2 1 1 308.62 344.52 20.87 o
-1 1 1 3197.56 3049.30 36.48 o
0 1 1 7.52 4.55 3.31 o
1 1 1 1072.39 1094.05 18.80 o
2 1 1 599.50 856.59 57.06 o
3 1 1 305.61 298.88 22.95 o
4 1 1 21.24 -17.37 18.16 o
-4 2 1 35.00 22.11 58.26 o
-3 2 1 716.24 737.88 58.96 o
-2 2 1 610.50 530.53 45.18 o
0 2 1 9.78 -0.19 8.92 o
1 2 1 199.11 175.34 35.01 o
2 2 1 174.81 204.63 33.81 o
3 2 1 178.21 174.63 40.02 o
4 2 1 167.70 109.51 49.61 o
-3 3 1 27.04 38.14 41.52 o
-2 3 1 91.09 82.45 48.74 o
-1 3 1 349.14 363.29 23.47 o
0 3 1 0.67 -6.38 18.76 o
1 3 1 55.80 52.07 18.19 o
2 3 1 371.57 337.72 52.33 o
3 3 1 82.80 91.59 38.43 o
-2 4 1 563.30 435.89 91.15 o
-1 4 1 88.70 62.18 22.08 o
0 4 1 0.71 -13.65 23.11 o
1 4 1 42.43 32.95 24.70 o
2 4 1 332.54 285.34 86.66 o
-2 -4 2 59.53 119.57 80.71 o
-1 -4 2 5.47 8.29 17.11 o
0 -4 2 3880.00 3260.25 62.53 o
1 -4 2 291.71 219.28 31.64 o
2 -4 2 25.79 64.63 41.13 o
-3 -3 2 246.10 240.42 65.79 o
-2 -3 2 87.33 80.80 10.45 o
-1 -3 2 70.86 51.45 14.86 o
0 -3 2 1572.92 1388.24 35.16 o
1 -3 2 146.29 150.33 25.10 o
2 -3 2 130.57 184.22 33.31 o
3 -3 2 79.52 83.32 35.83 o
-4 -2 2 441.74 410.53 50.10 o
-3 -2 2 43.78 58.79 38.57 o
-2 -2 2 44.03 34.92 5.87 o
-1 -2 2 340.73 367.48 50.20 o
0 -2 2 7881.88 8435.14 112.17 o
1 -2 2 671.55 694.93 33.55 o
2 -2 2 78.85 20.86 26.43 o
3 -2 2 92.85 93.45 22.81 o
4 -2 2 54.99 34.36 36.16 o
-4 -1 2 416.54 422.15 72.79 o
-3 -1 2 682.86 773.76 34.08 o
-2 -1 2 228.09 388.37 38.57 o
-1 -1 2 465.18 466.35 12.50 o
0 -1 2 1817.38 1636.92 29.60 o
1 -1 2 1007.69 951.02 20.69 o
2 -1 2 8.95 -10.42 12.23 o
3 -1 2 383.59 449.45 31.02 o
4 -1 2 369.78 369.40 34.01 o
-4 0 2 778.22 691.92 41.76 o
-3 0 2 142.52 135.12 21.39 o
-2 0 2 13.94 57.34 18.76 o
-1 0 2 1216.78 1079.39 45.84 o
1 0 2 101.06 74.56 6.83 o
3 0 2 9.99 55.21 18.89 o
4 0 2 702.59 832.73 44.20 o
-4 1 2 416.56 393.48 51.52 o
-3 1 2 683.02 734.78 28.56 o
-2 1 2 228.20 336.06 31.97 o
-1 1 2 465.54 475.86 13.27 o
0 1 2 1815.58 1633.40 30.11 o
1 1 2 1007.67 934.51 20.77 o
2 1 2 8.97 32.34 9.85 o
3 1 2 383.85 434.04 27.78 o
4 1 2 369.77 397.89 29.48 o
-4 2 2 441.83 632.21 77.94 o
-3 2 2 43.90 61.70 35.46 o
-2 2 2 44.08 26.75 29.00 o
-1 2 2 341.58 339.05 31.09 o
0 2 2 7876.53 8490.56 131.16 o
1 2 2 672.04 660.14 31.08 o
2 2 2 78.74 64.63 23.19 o
3 2 2 92.61 29.94 23.68 o
4 2 2 55.00 42.97 45.83 o
-3 3 2 246.05 203.67 45.02 o
-2 3 2 87.35 60.80 21.26 o
-1 3 2 71.21 63.82 21.81 o
0 3 2 1572.53 1441.32 48.05 o
1 3 2 146.55 121.68 58.65 o
2 3 2 130.59 97.32 18.91 o
3 3 2 79.49 71.90 41.40 o
-2 4 2 59.55 -3.85 94.45 o
-1 4 2 5.58 33.04 24.79 o
0 4 2 3879.70 3279.22 66.33 o
1 4 2 291.97 300.37 29.96 o
2 4 2 25.76 79.82 69.09 o
-2 -4 3 1067.52 929.52 150.59 o
-1 -4 3 83.31 73.71 21.01 o
0 -4 3 24.18 -10.73 45.49 o
1 -4 3 155.79 128.33 22.37 o
2 -4 3 63.10 49.44 38.40 o
-3 -3 3 6.26 -5.10 32.49 o
-2 -3 3 91.71 122.54 26.60 o
-1 -3 3 167.62 227.16 41.18 o
0 -3 3 7.73 3.68 18.36 o
1 -3 3 29.88 29.88 26.43 o
2 -3 3 691.98 674.02 45.78 o
3 -3 3 45.42 57.44 40.17 o
-4 -2 3 9.70 23.50 35.03 o
-3 -2 3 615.17 628.39 30.66 o
-2 -2 3 3749.76 3794.39 57.09 o
-1 -2 3 313.11 342.46 24.61 o
1 -2 3 110.14 113.94 16.64 o
2 -2 3 571.23 543.51 27.53 o
3 -2 3 256.36 251.13 36.23 o
4 -2 3 35.15 15.70 75.16 o
-4 -1 3 155.93 118.43 33.12 o
-3 -1 3 88.97 87.57 24.44 o
-2 -1 3 1001.68 889.52 38.91 o
-1 -1 3 109.81 102.74 9.42 o
0 -1 3 13.91 9.99 7.22 o
1 -1 3 1849.30 1664.26 53.22 o
2 -1 3 3073.97 3139.35 54.13 o
3 -1 3 408.14 449.49 33.99 o
4 -1 3 17.79 -2.37 23.10 o
-4 0 3 14.25 -8.08 22.05 o
-3 0 3 18.94 23.11 16.62 o
-2 0 3 5929.93 6931.57 129.64 o
-1 0 3 10.20 8.37 5.78 o
0 0 3 4.19 1.53 5.12 o
1 0 3 86.21 69.84 9.38 o
2 0 3 4446.67 4083.06 78.86 o
3 0 3 1051.81 1018.60 79.06 o
4 0 3 2.13 -26.48 26.48 o
-4 1 3 155.95 152.06 24.12 o
-3 1 3 89.02 110.57 16.25 o
-2 1 3 1002.01 1061.82 62.35 o
-1 1 3 110.25 95.76 9.87 o
0 1 3 13.91 12.33 6.52 o
1 1 3 1850.55 1740.47 34.52 o
2 1 3 3072.80 3165.11 53.88 o
3 1 3 408.39 469.01 34.32 o
4 1 3 17.84 -19.39 38.25 o
-4 2 3 9.70 -27.76 44.68 o
-3 2 3 614.76 671.79 26.50 o
-2 2 3 3749.26 3773.15 59.07 o
-1 2 3 313.15 337.11 23.83 o
1 2 3 110.07 111.94 14.63 o
2 2 3 572.18 511.42 22.81 o
3 2 3 256.77 235.44 22.55 o
4 2 3 35.10 -44.65 44.65 o
-3 3 3 6.31 9.18 39.85 o
-2 3 3 91.80 101.26 23.78 o
-1 3 3 167.40 239.65 74.23 o
0 3 3 7.73 -11.23 24.00 o
1 3 3 30.17 14.99 34.48 o
2 3 3 691.76 633.81 42.41 o
3 3 3 45.62 18.36 47.84 o
-2 4 3 1067.95 841.52 80.08 o
-1 4 3 83.47 111.07 43.41 o
0 4 3 24.21 41.13 41.33 o
1 4 3 156.14 122.19 28.73 o
2 4 3 62.81 63.90 47.04 o
-2 -4 4 21.38 -1.69 56.54 o
-1 -4 4 267.30 276.38 31.47 o
0 -4 4 48.46 39.97 25.10 o
1 -4 4 66.03 63.17 23.31 o
2 -4 4 0.95 32.58 34.67 o
-3 -3 4 94.38 141.15 48.48 o
-2 -3 4 25.62 31.55 18.74 o
-1 -3 4 230.15 285.21 30.17 o
0 -3 4 811.41 860.97 47.40 o
1 -3 4 802.16 745.68 38.95 o
2 -3 4 199.68 131.23 35.20 o
3 -3 4 282.21 246.83 43.95 o
-4 -2 4 22.35 107.19 37.30 o
-3 -2 4 386.92 349.66 30.08 o
-2 -2 4 31.95 14.39 31.73 o
-1 -2 4 275.35 261.98 20.30 o
0 -2 4 1483.75 1500.99 40.32 o
1 -2 4 131.43 137.39 17.03 o
2 -2 4 17.10 51.75 43.16 o
3 -2 4 224.74 259.87 26.32 o
-4 -1 4 84.01 73.10 21.88 o
-3 -1 4 53.80 64.19 19.22 o
-2 -1 4 53.79 53.71 19.22 o
-1 -1 4 31.88 77.19 19.62 o
0 -1 4 4154.90 3916.78 58.33 o
2 -1 4 56.05 71.28 17.92 o
3 -1 4 209.92 223.31 25.28 o
4 -1 4 330.87 341.65 28.96 o
-4 0 4 336.48 283.02 28.67 o
-3 0 4 696.65 782.45 37.65 o
-1 0 4 15.44 21.43 8.76 o
0 0 4 0.06 -0.74 8.57 o
1 0 4 2499.93 2360.95 53.69 o
2 0 4 27.53 7.85 14.18 o
3 0 4 363.83 415.77 29.51 o
4 0 4 72.84 94.50 24.55 o
-4 1 4 84.05 65.37 24.00 o
-3 1 4 53.88 68.20 22.92 o
-2 1 4 53.86 24.60 12.78 o
-1 1 4 31.79 20.28 40.29 o
0 1 4 4156.33 3748.46 69.90 o
2 1 4 56.01 89.28 22.23 o
3 1 4 209.91 197.46 22.66 o
4 1 4 330.60 394.23 30.68 o
-4 2 4 22.47 73.90 103.04 o
-3 2 4 386.95 385.09 29.67 o
-2 2 4 32.00 45.07 19.75 o
-1 2 4 275.16 255.43 23.64 o
0 2 4 1482.87 1548.31 35.70 o
1 2 4 131.50 148.72 17.81 o
2 2 4 17.08 39.23 29.63 o
3 2 4 224.81 224.38 36.91 o
-3 3 4 94.37 115.97 41.18 o
-2 3 4 25.68 58.57 23.72 o
-1 3 4 229.84 234.57 40.28 o
0 3 4 812.93 850.21 52.89 o
1 3 4 801.98 755.33 47.15 o
2 3 4 199.56 175.03 24.20 o
3 3 4 282.29 230.02 54.23 o
-2 4 4 21.41 15.06 54.43 o
-1 4 4 267.65 243.49 34.63 o
0 4 4 48.56 5.62 62.13 o
1 4 4 66.05 29.66 33.53 o
2 4 4 0.95 106.19 54.29 o
-2 -4 5 347.15 300.94 43.78 o
-1 -4 5 89.38 118.35 37.94 o
0 -4 5 42.36 89.21 48.74 o
1 -4 5 347.46 291.93 28.82 o
-3 -3 5 21.25 -8.45 40.69 o
-2 -3 5 184.46 162.61 19.76 o
-1 -3 5 59.18 84.26 20.84 o
1 -3 5 1206.70 1142.01 46.42 o
2 -3 5 248.23 214.97 49.61 o
3 -3 5 1202.52 1195.30 185.86 o
-4 -2 5 53.95 18.50 35.86 o
-3 -2 5 65.51 73.50 16.30 o
-2 -2 5 2445.76 2483.78 48.84 o
-1 -2 5 436.24 332.85 31.04 o
0 -2 5 12.84 38.07 41.22 o
1 -2 5 979.12 1077.31 49.20 o
2 -2 5 846.17 787.67 38.46 o
3 -2 5 145.11 157.89 33.19 o
-4 -1 5 16.40 45.73 22.81 o
-3 -1 5 363.26 405.37 28.31 o
-2 -1 5 45.40 47.32 15.83 o
1 -1 5 703.02 695.36 31.59 o
2 -1 5 474.23 557.08 36.54 o
3 -1 5 429.37 393.63 30.41 o
4 -1 5 15.98 68.54 32.80 o
-4 0 5 4.88 13.87 23.67 o
-3 0 5 200.09 199.09 29.58 o
-2 0 5 11428.31 10764.96 254.66 o
-1 0 5 257.13 419.85 52.71 o
0 0 5 0.40 42.39 27.69 o
2 0 5 131.28 201.31 23.03 o
3 0 5 44.18 51.44 23.00 o
4 0 5 24.98 58.73 25.90 o
-4 1 5 16.45 71.03 33.42 o
-3 1 5 362.65 354.40 40.83 o
-2 1 5 45.49 45.79 16.62 o
1 1 5 702.23 677.05 30.29 o
2 1 5 474.33 539.85 78.19 o
3 1 5 428.76 426.27 30.53 o
4 1 5 15.95 -33.66 41.47 o
-4 2 5 54.01 -4.49 52.58 o
-3 2 5 65.78 91.63 26.66 o
-2 2 5 2446.84 2423.97 54.58 o
-1 2 5 436.33 393.59 41.00 o
0 2 5 12.83 -0.38 15.28 o
1 2 5 978.46 1051.82 64.52 o
2 2 5 847.50 841.50 37.73 o
3 2 5 144.91 138.08 21.39 o
-3 3 5 21.32 30.12 52.84 o
-2 3 5 184.39 169.05 49.37 o
-1 3 5 58.99 98.58 25.83 o
0 3 5 7.56 161.59 82.49 o
1 3 5 1206.16 1140.10 44.11 o
2 3 5 248.82 250.59 29.14 o
3 3 5 1201.56 1157.75 90.81 o
-2 4 5 346.82 353.24 68.16 o
-1 4 5 89.45 113.29 30.35 o
0 4 5 42.39 71.32 29.68 o
1 4 5 347.55 323.10 29.70 o
-2 -4 6 91.38 313.34 90.36 o
-1 -4 6 71.24 59.23 23.48 o
0 -4 6 38.52 39.23 23.66 o
1 -4 6 271.86 244.15 32.41 o
-3 -3 6 16.08 31.60 39.08 o
-2 -3 6 16.28 37.54 22.13 o
-1 -3 6 76.17 99.11 23.40 o
0 -3 6 832.55 751.81 42.87 o
1 -3 6 78.63 88.86 25.90 o
2 -3 6 22.31 33.15 24.16 o
-4 -2 6 178.77 180.52 41.88 o
-3 -2 6 58.99 44.26 20.21 o
-2 -2 6 145.45 158.36 27.33 o
-1 -2 6 148.10 188.26 22.33 o
0 -2 6 1209.60 1227.69 42.13 o
1 -2 6 857.98 778.01 42.78 o
2 -2 6 71.82 103.24 24.37 o
3 -2 6 863.48 877.68 46.21 o
-4 -1 6 25.26 17.57 25.47 o
-3 -1 6 429.34 431.94 34.21 o
-2 -1 6 30.43 68.99 29.01 o
-1 -1 6 185.94 231.69 19.35 o
0 -1 6 2121.43 2000.36 44.72 o
1 -1 6 718.22 904.06 45.61 o
2 -1 6 25.94 43.38 52.88 o
3 -1 6 102.09 198.53 47.40 o
-4 0 6 130.08 172.03 34.33 o
-2 0 6 48.39 58.04 17.56 o
-1 0 6 146.38 134.03 19.67 o
1 0 6 600.46 610.61 30.34 o
2 0 6 1.81 25.48 34.93 o
3 0 6 751.32 762.19 42.74 o
-4 1 6 25.29 14.80 42.27 o
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-2 1 6 30.41 24.48 20.18 o
-1 1 6 185.75 209.02 18.34 o
0 1 6 2120.89 2013.27 44.69 o
1 1 6 718.71 752.75 36.79 o
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3 1 6 102.18 144.02 27.47 o
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-1 2 6 148.03 150.14 22.84 o
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-1 3 6 75.99 95.59 26.49 o
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2 3 6 22.31 2.36 30.49 o
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0 -3 7 33.49 39.21 25.92 o
1 -3 7 138.71 92.99 47.27 o
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-1 -2 7 140.23 138.61 26.20 o
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2 -2 7 808.77 804.29 43.52 o
3 -2 7 87.45 54.42 33.84 o
-4 -1 7 15.21 34.83 26.94 o
-3 -1 7 355.73 354.63 28.73 o
-2 -1 7 141.76 249.78 45.49 o
-1 -1 7 2824.67 3017.99 90.11 o
0 -1 7 37.46 52.71 25.02 o
1 -1 7 74.63 126.03 24.31 o
2 -1 7 60.00 67.95 22.54 o
3 -1 7 721.84 646.38 55.14 o
-4 0 7 89.69 40.21 27.65 o
-3 0 7 87.85 56.71 24.07 o
-2 0 7 3191.78 3463.00 68.09 o
-1 0 7 6.21 4.79 16.62 o
0 0 7 2.18 -7.14 16.77 o
1 0 7 2.92 8.61 19.12 o
2 0 7 803.96 834.97 43.34 o
3 0 7 91.18 36.83 25.43 o
-4 1 7 15.24 27.95 32.18 o
-3 1 7 355.08 372.42 33.66 o
-2 1 7 141.63 193.08 45.65 o
-1 1 7 2825.51 3036.62 62.35 o
0 1 7 37.50 74.67 22.61 o
1 1 7 74.70 69.93 23.06 o
2 1 7 60.10 78.85 22.71 o
3 1 7 722.29 634.63 47.32 o
-4 2 7 133.00 141.61 49.41 o
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-2 2 7 162.09 149.64 26.75 o
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0 2 7 1.53 7.96 29.44 o
1 2 7 87.64 90.37 25.30 o
2 2 7 807.21 820.50 44.12 o
3 2 7 87.84 120.57 27.71 o
-3 3 7 132.18 78.20 51.78 o
-2 3 7 63.54 10.52 36.25 o
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