#------------------------------------------------------------------------------
#$Date: 2021-09-22 04:47:00 +0300 (Wed, 22 Sep 2021) $
#$Revision: 269240 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108878.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_2108878
_cell_angle_alpha                90.000
_cell_angle_beta                 98.182
_cell_angle_gamma                90.000
_cell_length_a                   5.1854
_cell_length_b                   7.3998
_cell_length_c                   9.4976
_exptl_crystal_F_000             91.82
_reflns_d_resolution_high        0.6015
_cod_data_source_file            um5050HMTN02sup4.hkl
_cod_data_source_block           HMTN02
_shelx_title                     ' HMTX13 in P2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            68.81
_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
2 1 0 1238.94 1146.00 15.50 o
3 1 0 2080.73 1966.55 17.13 o
4 1 0 43.26 40.78 6.12 o
5 1 0 626.51 628.87 11.83 o
6 1 0 130.14 135.81 10.20 o
7 1 0 135.59 120.72 17.13 o
8 1 0 12.74 42.01 34.67 o
1 2 0 1118.80 1077.48 17.13 o
3 2 0 1059.81 1083.60 16.31 o
5 2 0 271.52 281.81 8.56 o
7 2 0 20.64 11.01 19.17 o
1 3 0 62.60 73.41 3.67 o
2 3 0 1315.21 1257.74 13.46 o
4 3 0 340.32 349.10 8.56 o
5 3 0 939.99 951.87 14.27 o
7 3 0 10.49 4.89 22.84 o
8 3 0 28.86 67.29 48.94 o
1 4 0 520.45 536.70 9.38 o
3 4 0 206.86 197.39 6.93 o
5 4 0 102.18 87.68 9.38 o
7 4 0 466.02 444.12 30.99 o
1 5 0 66.52 71.37 6.12 o
2 5 0 271.77 277.32 8.56 o
3 5 0 999.25 979.20 13.46 o
4 5 0 268.52 269.17 11.42 o
6 5 0 649.55 668.43 21.21 o
7 5 0 23.85 11.01 33.85 o
1 6 0 232.12 232.46 7.34 o
5 6 0 291.22 276.51 17.13 o
7 6 0 195.93 176.18 44.05 o
1 7 0 146.99 142.74 9.38 o
2 7 0 6.76 -0.82 9.38 o
3 7 0 686.51 664.76 15.09 o
4 7 0 148.96 123.16 16.72 o
5 7 0 140.56 105.63 23.65 o
6 7 0 111.49 75.04 37.93 o
1 8 0 210.31 199.43 15.91 o
3 8 0 62.82 48.94 16.31 o
5 8 0 92.78 112.97 37.52 o
1 9 0 101.74 79.93 26.92 o
2 9 0 133.34 142.33 22.84 o
4 9 0 102.39 137.85 37.93 o
5 9 0 22.05 10.20 61.99 o
1 10 0 348.83 329.53 53.02 o
3 10 0 1.28 106.85 42.41 o
1 11 0 136.51 247.96 109.71 o
2 11 0 40.28 76.26 80.75 o
3 11 0 107.90 28.96 77.90 o
1 12 0 8.02 -35.48 231.65 o
-8 0 1 17.32 56.28 40.37 o
-7 0 1 12.50 -20.80 20.80 o
-6 0 1 43.36 13.87 11.83 o
-5 0 1 203.26 202.69 13.87 o
-4 0 1 180.92 188.82 8.16 o
-3 0 1 630.43 615.41 14.68 o
-2 0 1 883.11 847.47 31.81 o
-1 0 1 273.98 276.51 18.35 o
1 0 1 2255.25 2070.14 26.51 o
2 0 1 197.30 201.06 7.34 o
3 0 1 1539.02 1470.22 26.92 o
4 0 1 147.63 134.58 9.79 o
5 0 1 542.57 533.44 16.72 o
6 0 1 115.13 117.05 15.09 o
7 0 1 36.64 15.50 26.92 o
8 0 1 63.97 21.61 57.10 o
-8 1 1 8.93 -22.02 31.81 o
-7 1 1 44.02 52.20 15.91 o
-6 1 1 16.73 19.98 8.97 o
-5 1 1 56.69 49.76 7.34 o
-4 1 1 92.58 89.72 6.12 o
-3 1 1 504.28 498.37 9.38 o
-2 1 1 282.42 288.74 6.53 o
-1 1 1 718.87 694.12 16.72 o
0 1 1 387.61 392.74 10.60 o
1 1 1 1150.35 1081.56 21.21 o
2 1 1 683.12 683.93 14.27 o
3 1 1 113.29 112.15 5.30 o
4 1 1 4734.58 4282.20 33.03 o
5 1 1 61.66 55.06 6.93 o
6 1 1 110.78 95.84 11.01 o
7 1 1 52.60 59.54 19.17 o
8 1 1 63.44 68.92 39.56 o
-8 2 1 23.15 87.68 37.52 o
-7 2 1 22.02 -5.30 19.17 o
-6 2 1 401.37 405.38 12.23 o
-5 2 1 25.72 21.21 6.93 o
-4 2 1 803.22 765.90 12.64 o
-3 2 1 128.90 122.76 5.30 o
-2 2 1 166.67 166.80 5.71 o
-1 2 1 533.85 515.49 7.75 o
0 2 1 208.53 225.53 5.71 o
1 2 1 2180.13 1987.35 24.06 o
2 2 1 849.57 851.55 10.20 o
3 2 1 662.56 640.29 11.42 o
4 2 1 26.80 22.02 6.12 o
5 2 1 255.81 279.36 9.38 o
6 2 1 56.01 65.66 11.42 o
7 2 1 199.18 224.31 21.61 o
8 2 1 3.52 -22.02 43.23 o
-8 3 1 36.52 41.19 43.23 o
-7 3 1 54.40 23.25 22.02 o
-6 3 1 144.16 144.78 12.23 o
-5 3 1 205.56 198.61 8.97 o
-4 3 1 1056.19 1072.59 13.87 o
-3 3 1 26.52 27.73 4.49 o
-2 3 1 3415.74 3115.40 22.43 o
-1 3 1 102.80 112.56 4.49 o
0 3 1 15.04 17.94 2.85 o
1 3 1 1409.82 1385.80 17.54 o
2 3 1 893.99 897.22 13.05 o
3 3 1 394.72 395.19 8.16 o
4 3 1 660.74 662.72 10.60 o
5 3 1 284.06 278.95 9.79 o
6 3 1 185.35 190.46 13.87 o
7 3 1 75.31 109.71 25.29 o
8 3 1 122.50 206.77 54.65 o
-8 4 1 36.33 30.99 56.69 o
-7 4 1 79.19 153.34 26.51 o
-6 4 1 94.28 101.55 14.68 o
-5 4 1 750.05 744.69 13.46 o
-4 4 1 345.00 356.85 10.20 o
-3 4 1 374.37 379.28 9.38 o
-2 4 1 623.71 621.12 11.42 o
0 4 1 374.58 373.57 6.12 o
1 4 1 1478.90 1504.48 19.58 o
2 4 1 61.32 66.48 5.30 o
3 4 1 1.46 7.34 6.12 o
4 4 1 9.61 4.89 7.34 o
5 4 1 25.37 26.92 11.01 o
6 4 1 146.12 119.90 16.31 o
7 4 1 59.86 80.75 30.18 o
-7 5 1 188.10 227.16 35.07 o
-6 5 1 216.28 234.09 18.35 o
-5 5 1 61.25 73.41 10.60 o
-4 5 1 293.37 289.56 9.79 o
-3 5 1 1630.63 1640.69 17.54 o
-2 5 1 1683.17 1645.59 18.35 o
-1 5 1 178.28 181.89 6.93 o
0 5 1 509.19 507.34 8.56 o
1 5 1 369.17 388.25 8.56 o
2 5 1 886.48 902.12 13.87 o
3 5 1 305.36 312.80 10.20 o
4 5 1 436.31 412.72 13.05 o
5 5 1 60.12 63.62 13.87 o
6 5 1 47.94 74.63 22.02 o
7 5 1 21.76 45.68 35.48 o
-7 6 1 123.44 24.47 39.97 o
-6 6 1 430.12 464.11 25.29 o
-5 6 1 106.25 124.39 15.50 o
-4 6 1 254.61 245.92 10.60 o
-3 6 1 46.73 54.24 8.16 o
-2 6 1 1111.25 1086.86 14.27 o
-1 6 1 81.98 78.30 6.12 o
0 6 1 1305.17 1294.45 18.35 o
1 6 1 784.75 809.13 13.05 o
2 6 1 180.91 160.28 12.23 o
3 6 1 107.07 101.96 12.23 o
4 6 1 23.46 39.56 12.23 o
5 6 1 70.94 82.38 19.58 o
6 6 1 47.23 17.13 30.99 o
7 6 1 82.21 103.59 53.43 o
-7 7 1 1.75 -57.50 57.50 o
-6 7 1 252.50 217.78 35.48 o
-5 7 1 341.91 309.95 22.43 o
-4 7 1 141.00 164.76 14.68 o
-3 7 1 581.88 569.74 12.23 o
-2 7 1 49.06 51.79 8.56 o
-1 7 1 183.62 194.53 9.79 o
0 7 1 639.42 617.86 12.64 o
1 7 1 480.65 475.53 12.23 o
2 7 1 180.45 197.39 13.05 o
3 7 1 128.65 128.06 13.46 o
4 7 1 16.15 40.37 16.31 o
5 7 1 116.12 134.18 26.51 o
6 7 1 137.95 131.73 48.53 o
-6 8 1 0.14 -50.98 50.98 o
-5 8 1 146.42 129.28 30.99 o
-4 8 1 10.28 22.84 20.80 o
-3 8 1 48.72 45.68 15.09 o
-2 8 1 86.37 77.49 13.87 o
-1 8 1 323.20 310.77 14.68 o
0 8 1 214.56 201.87 13.05 o
1 8 1 151.71 151.30 13.46 o
2 8 1 40.30 51.39 15.09 o
3 8 1 33.18 27.32 17.54 o
4 8 1 37.24 60.36 25.69 o
5 8 1 110.82 187.19 41.60 o
6 8 1 40.97 210.44 66.48 o
-5 9 1 27.87 97.06 50.57 o
-4 9 1 49.85 46.49 32.22 o
-3 9 1 64.39 70.96 24.06 o
-2 9 1 16.49 -1.22 25.29 o
-1 9 1 31.53 0.82 22.02 o
0 9 1 119.35 121.94 19.58 o
1 9 1 108.43 141.11 21.61 o
2 9 1 60.75 62.81 23.65 o
3 9 1 4.73 38.74 26.51 o
4 9 1 103.61 51.79 39.56 o
5 9 1 148.76 145.19 57.91 o
-5 10 1 86.05 110.93 86.87 o
-4 10 1 51.20 -1.22 52.61 o
-3 10 1 18.61 114.19 48.94 o
-2 10 1 3.03 53.43 59.54 o
-1 10 1 90.36 4.49 41.19 o
0 10 1 7.70 -23.25 34.67 o
1 10 1 61.86 136.21 37.11 o
2 10 1 52.13 79.53 35.89 o
3 10 1 33.66 50.57 44.45 o
4 10 1 26.02 -29.77 57.50 o
-3 11 1 13.49 94.62 97.06 o
-2 11 1 1.76 67.29 110.11 o
-1 11 1 38.34 -77.90 77.90 o
0 11 1 35.49 159.87 63.62 o
1 11 1 3.17 46.90 63.21 o
2 11 1 14.99 115.01 62.40 o
3 11 1 1.98 124.80 76.26 o
1 12 1 12.45 1.63 107.67 o
-7 0 2 1.88 -19.98 19.98 o
-5 0 2 1314.55 1300.16 24.88 o
-3 0 2 259.08 256.52 11.83 o
-1 0 2 81.04 90.13 5.30 o
1 0 2 535.55 526.10 10.60 o
3 0 2 970.92 962.88 26.92 o
5 0 2 88.37 70.55 11.01 o
7 0 2 138.57 106.85 31.40 o
-8 1 2 149.88 126.43 32.22 o
-7 1 2 35.16 19.58 15.91 o
-6 1 2 91.40 70.55 8.97 o
-5 1 2 207.57 210.44 8.56 o
-4 1 2 1205.71 1152.52 16.31 o
-3 1 2 1016.87 995.92 12.64 o
-2 1 2 1142.31 1071.36 15.09 o
-1 1 2 884.98 858.48 13.87 o
0 1 2 138.42 140.29 8.16 o
1 1 2 50.85 59.95 2.04 o
2 1 2 115.57 121.94 5.30 o
3 1 2 108.04 110.93 5.71 o
4 1 2 455.69 434.34 9.38 o
5 1 2 1289.58 1310.76 15.09 o
6 1 2 51.08 55.46 11.83 o
7 1 2 34.03 29.77 22.43 o
8 1 2 56.80 17.94 46.49 o
-7 2 2 188.86 181.48 19.58 o
-5 2 2 543.06 557.09 10.20 o
-3 2 2 29.13 24.47 4.89 o
-1 2 2 1345.47 1292.82 45.68 o
1 2 2 268.39 298.12 5.71 o
3 2 2 142.67 138.66 5.30 o
5 2 2 73.33 82.79 8.16 o
7 2 2 96.88 96.25 25.29 o
-8 3 2 43.72 35.89 43.64 o
-7 3 2 71.19 55.46 21.21 o
-6 3 2 44.62 57.10 12.23 o
-5 3 2 55.36 63.62 8.56 o
-4 3 2 1171.91 1166.39 15.09 o
-3 3 2 34.36 42.82 5.30 o
-2 3 2 1021.07 1035.48 11.42 o
-1 3 2 1090.02 1121.53 16.72 o
0 3 2 105.15 121.94 3.67 o
1 3 2 356.75 362.15 6.53 o
2 3 2 11.20 14.68 4.89 o
3 3 2 477.71 451.47 9.38 o
4 3 2 79.29 91.35 8.56 o
5 3 2 526.17 551.38 13.87 o
6 3 2 164.65 175.77 17.13 o
7 3 2 9.97 77.49 28.14 o
8 3 2 25.69 28.55 60.36 o
-7 4 2 64.65 49.35 25.69 o
-5 4 2 36.06 58.32 8.97 o
-3 4 2 214.45 220.23 7.75 o
-1 4 2 428.77 430.67 8.56 o
1 4 2 364.30 382.13 8.56 o
3 4 2 958.43 965.74 19.17 o
5 4 2 75.32 64.03 12.64 o
7 4 2 30.36 79.93 38.34 o
-7 5 2 51.38 82.79 34.67 o
-6 5 2 13.72 7.34 17.13 o
-5 5 2 98.31 84.01 11.01 o
-4 5 2 67.51 67.29 8.56 o
-3 5 2 205.80 205.14 8.16 o
-2 5 2 88.49 91.35 6.12 o
-1 5 2 578.55 594.21 10.60 o
0 5 2 7.99 6.93 5.30 o
1 5 2 1302.82 1346.65 17.13 o
2 5 2 199.66 204.32 9.38 o
3 5 2 606.70 606.03 15.09 o
4 5 2 160.32 162.72 12.64 o
5 5 2 81.02 115.42 16.72 o
6 5 2 38.39 82.79 26.92 o
7 5 2 41.98 69.74 45.68 o
-7 6 2 3.35 -28.96 42.41 o
-5 6 2 24.93 9.79 14.68 o
-3 6 2 322.02 315.25 10.20 o
-1 6 2 640.43 621.53 11.83 o
1 6 2 684.62 703.91 13.05 o
3 6 2 31.98 8.16 11.83 o
5 6 2 163.30 210.03 23.25 o
-7 7 2 36.79 11.42 56.28 o
-6 7 2 60.35 33.03 33.44 o
-5 7 2 237.90 255.71 22.02 o
-4 7 2 207.78 207.58 14.27 o
-3 7 2 86.31 64.84 10.60 o
-2 7 2 146.26 143.96 11.01 o
-1 7 2 235.23 219.82 11.01 o
0 7 2 152.21 173.33 12.23 o
1 7 2 100.99 98.69 11.01 o
2 7 2 310.33 326.26 15.50 o
3 7 2 50.76 42.41 13.87 o
4 7 2 81.07 111.74 19.98 o
5 7 2 208.81 197.39 28.96 o
6 7 2 2.04 96.66 50.98 o
-5 8 2 137.21 159.46 29.36 o
-3 8 2 158.05 173.73 17.94 o
-1 8 2 81.94 95.43 13.05 o
1 8 2 454.21 473.49 17.13 o
3 8 2 150.63 139.89 18.35 o
5 8 2 87.36 68.92 41.60 o
-5 9 2 140.38 201.87 46.08 o
-4 9 2 557.30 565.25 35.48 o
-3 9 2 13.16 -12.64 25.69 o
-2 9 2 11.79 75.86 23.25 o
-1 9 2 3.16 2.85 20.80 o
0 9 2 34.94 10.60 19.17 o
1 9 2 18.71 54.65 22.43 o
2 9 2 77.40 81.57 24.06 o
3 9 2 59.69 75.45 28.55 o
4 9 2 37.74 -37.52 37.52 o
5 9 2 0.24 -31.81 66.07 o
-5 10 2 56.73 144.37 71.37 o
-3 10 2 154.60 131.73 46.08 o
-1 10 2 204.31 206.77 34.26 o
1 10 2 122.67 77.90 36.70 o
3 10 2 3.22 12.64 44.45 o
-2 11 2 96.39 63.21 73.00 o
-1 11 2 4.38 -54.65 54.65 o
0 11 2 258.56 216.96 53.43 o
1 11 2 1.91 84.42 64.44 o
2 11 2 16.87 -29.77 60.77 o
3 11 2 13.09 -8.16 84.42 o
-1 12 2 119.41 37.52 104.00 o
1 12 2 125.33 91.35 112.15 o
-8 0 3 263.19 292.00 40.78 o
-7 0 3 12.14 -9.79 21.21 o
-5 0 3 1087.21 1052.20 23.65 o
-4 0 3 1701.27 1568.51 26.92 o
-2 0 3 487.12 495.10 13.87 o
-1 0 3 1615.14 1590.12 96.66 o
1 0 3 26.20 29.36 4.49 o
2 0 3 2157.19 2092.16 28.14 o
4 0 3 280.02 293.64 11.01 o
5 0 3 50.74 49.76 11.42 o
7 0 3 0.05 15.09 36.30 o
8 0 3 97.12 146.41 76.67 o
-8 1 3 12.86 74.22 29.77 o
-7 1 3 157.72 165.58 16.31 o
-6 1 3 166.07 166.80 9.79 o
-5 1 3 597.02 620.71 11.83 o
-4 1 3 574.25 565.25 10.20 o
-3 1 3 2.51 2.85 3.67 o
-2 1 3 480.23 497.14 8.16 o
-1 1 3 1445.10 1397.22 22.02 o
0 1 3 297.47 307.50 12.23 o
1 1 3 17.35 22.43 2.45 o
2 1 3 1273.64 1262.23 13.87 o
3 1 3 1163.46 1188.82 12.64 o
4 1 3 542.64 556.28 10.60 o
5 1 3 98.87 110.11 9.38 o
6 1 3 44.55 26.51 14.27 o
7 1 3 5.57 24.47 27.73 o
8 1 3 28.00 11.01 56.69 o
-8 2 3 124.33 163.13 40.37 o
-7 2 3 369.16 411.50 21.21 o
-6 2 3 162.97 147.63 11.01 o
-5 2 3 594.77 592.57 11.42 o
-4 2 3 47.11 30.59 6.53 o
-3 2 3 628.16 612.15 10.20 o
-2 2 3 115.55 127.24 4.89 o
-1 2 3 586.74 607.66 9.38 o
0 2 3 442.07 414.35 19.58 o
1 2 3 2335.31 2335.22 15.91 o
2 2 3 548.61 566.07 10.20 o
3 2 3 1122.10 1174.54 16.31 o
4 2 3 181.08 186.79 11.01 o
5 2 3 229.14 252.85 12.23 o
6 2 3 33.88 47.72 17.54 o
7 2 3 34.43 -5.30 29.77 o
8 2 3 55.75 30.18 60.36 o
-8 3 3 24.44 -24.06 43.64 o
-7 3 3 166.28 172.10 22.43 o
-5 3 3 6.14 13.87 8.16 o
-4 3 3 185.71 192.90 8.16 o
-2 3 3 141.39 149.67 5.71 o
-1 3 3 189.01 190.05 5.71 o
1 3 3 228.33 228.79 4.89 o
2 3 3 192.94 184.34 7.34 o
4 3 3 733.55 714.51 15.91 o
5 3 3 202.54 203.51 13.87 o
7 3 3 46.21 59.95 39.56 o
-8 4 3 72.39 91.76 52.61 o
-7 4 3 141.70 118.68 26.51 o
-6 4 3 113.05 68.11 15.50 o
-5 4 3 219.71 234.09 10.20 o
-4 4 3 10.98 7.75 7.34 o
-3 4 3 1149.21 1125.61 15.50 o
-2 4 3 369.85 376.83 8.16 o
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0 4 3 1506.65 1475.93 14.27 o
1 4 3 16.55 22.43 6.53 o
2 4 3 533.53 522.02 12.64 o
3 4 3 581.25 590.94 15.50 o
4 4 3 128.82 121.53 11.01 o
5 4 3 12.84 48.12 15.50 o
6 4 3 190.65 192.90 26.51 o
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-7 5 3 54.52 28.55 31.81 o
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2 5 3 111.93 110.52 10.60 o
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1 6 3 462.49 478.79 13.05 o
2 6 3 20.68 36.30 11.83 o
4 6 3 14.82 27.73 15.50 o
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-3 7 3 319.85 302.20 14.27 o
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-1 7 3 1049.65 1013.05 20.39 o
0 7 3 159.23 170.06 13.05 o
1 7 3 89.84 98.69 13.46 o
2 7 3 9.11 13.05 12.64 o
3 7 3 123.31 137.44 14.68 o
4 7 3 267.30 266.72 22.02 o
5 7 3 137.24 74.63 32.63 o
6 7 3 12.97 56.69 61.58 o
-6 8 3 45.82 60.36 53.02 o
-5 8 3 96.74 87.68 32.22 o
-4 8 3 309.20 293.64 25.29 o
-3 8 3 28.82 26.10 17.54 o
-2 8 3 502.95 511.82 18.35 o
-1 8 3 604.47 613.37 19.17 o
0 8 3 265.68 266.31 15.50 o
1 8 3 59.97 82.38 14.68 o
2 8 3 50.83 43.23 18.35 o
3 8 3 3.53 -8.97 19.98 o
4 8 3 3.67 -27.32 27.32 o
5 8 3 2.02 59.95 45.27 o
6 8 3 14.76 108.89 72.19 o
-5 9 3 31.28 87.28 53.43 o
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-2 9 3 23.09 13.46 24.88 o
-1 9 3 37.78 33.85 20.39 o
1 9 3 142.21 112.56 23.25 o
2 9 3 17.22 71.37 24.47 o
4 9 3 99.39 9.79 36.30 o
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-4 10 3 38.65 -53.43 58.73 o
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1 10 3 148.39 137.03 39.56 o
2 10 3 9.03 81.97 41.60 o
3 10 3 37.88 -40.37 49.35 o
4 10 3 150.12 138.25 59.95 o
-3 11 3 52.49 43.64 85.24 o
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