#------------------------------------------------------------------------------
#$Date: 2016-06-18 04:19:11 +0300 (Sat, 18 Jun 2016) $
#$Revision: 183679 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/17/2241723.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_2241723
_cell_angle_alpha                86.085
_cell_angle_beta                 80.575
_cell_angle_gamma                71.308
_cell_length_a                   7.7733
_cell_length_b                   7.8240
_cell_length_c                   10.4594
_exptl_crystal_F_000             336.00
_reflns_d_resolution_high        0.7694
_cod_data_source_file            sj5499IIsup3.hkl
_cod_data_source_block           II
_shelx_title                     ' 2013ncs0396'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            131.58
_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 2311.80 2369.13 23.72 o
2 0 0 5423.10 5564.45 44.68 o
3 0 0 9649.20 10257.09 61.41 o
4 0 0 2428.66 2461.89 32.53 o
5 0 0 1938.56 1861.80 25.84 o
6 0 0 1867.00 1884.51 31.03 o
7 0 0 649.91 678.23 14.75 o
8 0 0 1026.69 1011.90 18.08 o
9 0 0 86.34 93.39 8.00 o
-9 1 0 730.95 775.90 20.99 o
-8 1 0 621.44 669.35 21.04 o
-7 1 0 2763.76 2799.49 158.39 o
-6 1 0 1794.59 1733.46 40.47 o
-5 1 0 1479.89 1441.17 14.23 o
-4 1 0 5825.89 6058.71 50.23 o
-3 1 0 4.04 4.07 0.74 o
-2 1 0 1469.30 1529.10 16.95 o
-1 1 0 205.83 241.39 5.05 o
0 1 0 946.72 922.02 67.00 o
1 1 0 224.75 214.19 16.48 o
2 1 0 915.12 942.76 8.39 o
3 1 0 1610.09 1656.13 12.73 o
4 1 0 19.03 23.15 1.78 o
5 1 0 589.53 565.23 14.00 o
6 1 0 1889.12 1865.22 37.02 o
7 1 0 365.04 375.11 8.10 o
8 1 0 630.90 648.31 14.02 o
9 1 0 1207.91 1262.15 39.66 o
-8 2 0 176.61 176.60 10.64 o
-7 2 0 552.14 552.16 16.60 o
-6 2 0 88.36 89.28 5.32 o
-5 2 0 353.74 341.39 7.85 o
-4 2 0 1255.26 1203.99 10.00 o
-3 2 0 2313.74 2551.87 18.39 o
-2 2 0 2367.67 2442.99 14.90 o
-1 2 0 10686.43 11461.85 45.76 o
0 2 0 7474.86 7722.39 90.67 o
1 2 0 13999.94 14673.12 237.52 o
2 2 0 11171.48 11083.27 250.69 o
3 2 0 3084.95 3151.57 23.96 o
4 2 0 6616.10 6749.34 50.36 o
5 2 0 4764.32 4901.03 91.19 o
6 2 0 812.81 808.89 12.08 o
7 2 0 4347.69 4611.99 52.01 o
8 2 0 910.70 966.25 13.42 o
9 2 0 336.79 338.17 15.44 o
-8 3 0 1338.92 1420.69 31.69 o
-7 3 0 1406.20 1538.61 37.48 o
-6 3 0 2517.15 2645.56 24.49 o
-5 3 0 2773.07 2896.64 32.48 o
-4 3 0 1931.42 1837.57 36.72 o
-3 3 0 4962.27 5034.78 67.51 o
-2 3 0 2857.05 2773.91 30.66 o
-1 3 0 843.78 855.95 10.99 o
0 3 0 5733.85 6075.26 38.11 o
1 3 0 1561.46 1565.70 11.68 o
2 3 0 1191.82 1241.39 8.78 o
3 3 0 2043.30 2045.37 35.67 o
4 3 0 146.54 148.58 3.39 o
5 3 0 2.15 4.24 1.36 o
6 3 0 89.33 99.84 7.19 o
7 3 0 29.28 29.10 2.92 o
8 3 0 194.31 210.16 6.49 o
9 3 0 68.58 67.62 6.92 o
-7 4 0 3.11 6.61 4.98 o
-6 4 0 163.51 159.74 6.80 o
-5 4 0 257.64 242.99 8.78 o
-4 4 0 1.01 1.98 1.82 o
-3 4 0 292.59 269.24 18.51 o
-2 4 0 656.40 642.83 23.47 o
-1 4 0 1364.85 1430.39 25.94 o
0 4 0 4062.68 4206.95 43.84 o
1 4 0 1750.44 1651.73 32.93 o
2 4 0 1214.25 1165.79 10.96 o
3 4 0 6713.14 6909.45 82.31 o
4 4 0 2261.60 2182.27 28.83 o
5 4 0 3961.17 4180.02 84.62 o
6 4 0 3665.42 3719.64 46.25 o
7 4 0 965.18 1042.23 30.30 o
8 4 0 1479.83 1550.56 58.89 o
9 4 0 1335.07 1491.35 31.96 o
-6 5 0 1338.23 1446.94 44.02 o
-5 5 0 1923.21 1997.06 29.42 o
-4 5 0 2034.75 2084.93 21.11 o
-3 5 0 2317.42 2399.74 58.94 o
-2 5 0 2046.01 1950.43 56.59 o
-1 5 0 6984.31 7067.69 52.46 o
0 5 0 2700.78 2709.68 83.74 o
1 5 0 2565.46 2325.42 35.66 o
2 5 0 3408.23 3306.94 46.73 o
3 5 0 1526.86 1581.98 26.89 o
4 5 0 165.87 149.87 7.27 o
5 5 0 1683.64 1696.16 30.96 o
6 5 0 137.07 137.12 6.21 o
7 5 0 348.64 363.93 10.99 o
8 5 0 93.42 96.35 6.72 o
9 5 0 0.12 1.07 3.00 o
-5 6 0 565.58 583.16 34.33 o
-4 6 0 107.16 98.71 4.92 o
-3 6 0 121.54 118.60 5.57 o
-2 6 0 42.59 42.26 2.70 o
-1 6 0 21.54 16.81 1.38 o
0 6 0 821.06 801.61 27.13 o
1 6 0 6.86 7.20 1.56 o
2 6 0 1154.99 1115.89 37.29 o
3 6 0 182.11 171.74 6.63 o
4 6 0 1423.60 1523.10 29.81 o
5 6 0 2419.21 2430.91 39.79 o
6 6 0 1081.20 1103.55 37.18 o
7 6 0 1419.85 1569.87 46.56 o
8 6 0 1089.81 1208.38 28.92 o
9 6 0 248.16 268.84 10.33 o
-4 7 0 1046.51 1155.01 26.24 o
-3 7 0 543.90 557.44 17.96 o
-2 7 0 2966.45 2907.13 38.79 o
-1 7 0 1956.51 1965.27 70.83 o
0 7 0 2768.74 2795.26 48.60 o
1 7 0 2304.98 2289.35 32.57 o
2 7 0 3147.56 3139.37 94.67 o
3 7 0 1131.02 1115.91 25.03 o
4 7 0 954.66 915.02 31.09 o
5 7 0 840.00 878.37 23.68 o
6 7 0 1487.70 1597.28 14.74 o
7 7 0 830.60 905.14 27.87 o
8 7 0 108.82 109.27 7.88 o
9 7 0 215.28 255.29 10.56 o
-3 8 0 213.85 203.97 10.04 o
-2 8 0 94.24 92.86 4.40 o
-1 8 0 104.82 101.72 6.67 o
0 8 0 395.01 405.25 9.00 o
1 8 0 10.55 10.24 1.55 o
2 8 0 147.93 137.09 5.73 o
3 8 0 23.77 25.09 1.95 o
4 8 0 621.29 690.16 19.85 o
5 8 0 173.89 178.01 5.94 o
6 8 0 134.02 131.94 6.29 o
7 8 0 582.95 612.78 29.64 o
8 8 0 282.21 324.82 11.09 o
-1 9 0 1049.01 1048.38 21.48 o
0 9 0 1602.75 1405.58 306.80 o
1 9 0 524.54 495.08 42.40 o
2 9 0 1747.54 1650.44 74.67 o
3 9 0 1283.69 1260.94 31.06 o
4 9 0 593.71 618.42 29.53 o
5 9 0 1239.02 1285.62 83.68 o
6 9 0 657.30 683.77 37.84 o
7 9 0 662.92 690.09 30.69 o
2 10 0 264.23 269.72 16.94 o
3 10 0 18.34 15.40 2.58 o
4 10 0 222.11 209.28 10.47 o
-4 -10 1 627.01 625.34 30.57 o
-3 -10 1 1444.04 1397.01 93.88 o
-2 -10 1 547.08 483.26 70.88 o
-6 -9 1 219.87 214.99 7.56 o
-5 -9 1 112.87 129.77 8.78 o
-4 -9 1 673.00 686.44 21.24 o
-3 -9 1 40.32 37.85 2.60 o
-2 -9 1 179.86 168.72 12.56 o
-1 -9 1 88.01 81.27 4.15 o
0 -9 1 124.02 123.45 7.66 o
1 -9 1 5.13 2.31 4.38 o
-8 -8 1 0.99 2.04 2.78 o
-7 -8 1 518.68 502.23 27.99 o
-6 -8 1 306.80 326.01 9.15 o
-5 -8 1 677.82 717.83 12.41 o
-4 -8 1 1205.30 1218.05 47.77 o
-3 -8 1 1217.64 1154.63 35.47 o
-2 -8 1 1144.19 1069.11 80.36 o
-1 -8 1 1746.73 1728.97 39.40 o
0 -8 1 846.68 861.25 59.08 o
1 -8 1 993.69 981.62 25.27 o
2 -8 1 1577.23 1523.52 61.65 o
3 -8 1 724.61 752.28 13.20 o
-8 -7 1 500.38 528.59 20.54 o
-7 -7 1 772.41 837.68 37.80 o
-6 -7 1 1358.95 1432.91 14.23 o
-5 -7 1 1785.86 1944.67 31.80 o
-4 -7 1 93.31 91.22 3.84 o
-3 -7 1 2210.13 2087.77 62.86 o
-2 -7 1 2664.37 2658.62 64.93 o
-1 -7 1 165.61 151.54 4.75 o
0 -7 1 634.51 657.57 27.43 o
1 -7 1 264.66 270.50 8.28 o
2 -7 1 11.40 15.59 2.94 o
3 -7 1 39.71 37.81 4.22 o
4 -7 1 27.93 27.35 3.56 o
-9 -6 1 201.03 220.69 12.73 o
-8 -6 1 190.59 213.16 11.22 o
-7 -6 1 369.59 397.39 9.23 o
-6 -6 1 89.45 95.67 3.78 o
-5 -6 1 589.13 602.78 10.26 o
-4 -6 1 276.00 257.05 13.96 o
-3 -6 1 2246.27 2330.29 53.29 o
-2 -6 1 900.73 847.45 27.70 o
-1 -6 1 227.31 218.47 8.38 o
0 -6 1 2709.70 2673.62 42.55 o
1 -6 1 1019.44 996.78 35.37 o
2 -6 1 1599.12 1485.31 70.28 o
3 -6 1 1764.57 1816.61 31.26 o
4 -6 1 1714.23 1787.60 27.04 o
5 -6 1 999.66 988.52 44.58 o
-9 -5 1 1179.60 1328.32 40.67 o
-8 -5 1 572.93 612.68 17.49 o
-7 -5 1 1562.79 1653.72 59.39 o
-6 -5 1 1931.17 2054.51 44.89 o
-5 -5 1 1111.49 1111.52 12.36 o
-4 -5 1 4009.41 4062.05 36.82 o
-3 -5 1 2903.65 2744.87 193.11 o
-2 -5 1 3839.81 3899.71 33.40 o
-1 -5 1 4993.79 4791.89 30.32 o
0 -5 1 1089.50 1122.54 28.33 o
1 -5 1 1323.90 1350.39 15.10 o
2 -5 1 3361.32 3505.31 27.90 o
3 -5 1 52.47 51.18 3.66 o
4 -5 1 533.77 548.09 10.54 o
5 -5 1 792.15 817.05 15.65 o
6 -5 1 1.53 3.99 4.49 o
-9 -4 1 474.08 517.17 19.09 o
-8 -4 1 735.65 751.34 28.49 o
-7 -4 1 161.36 161.14 6.17 o
-6 -4 1 122.63 117.51 3.23 o
-5 -4 1 684.44 678.50 14.09 o
-4 -4 1 517.21 519.15 18.39 o
-3 -4 1 258.75 234.50 6.85 o
-2 -4 1 292.79 305.26 10.21 o
-1 -4 1 3463.09 3517.62 89.92 o
0 -4 1 2.49 2.16 1.09 o
1 -4 1 254.85 244.64 8.03 o
2 -4 1 3671.27 3783.96 36.30 o
3 -4 1 1031.16 1052.65 14.14 o
4 -4 1 1247.62 1269.05 15.60 o
5 -4 1 1630.38 1681.92 37.66 o
6 -4 1 513.47 533.10 12.70 o
7 -4 1 1321.10 1367.91 42.04 o
-9 -3 1 224.49 227.72 12.61 o
-8 -3 1 858.63 879.75 19.34 o
-7 -3 1 1236.58 1304.54 46.43 o
-6 -3 1 1665.74 1716.14 33.71 o
-5 -3 1 2760.21 2697.80 23.67 o
-4 -3 1 1891.84 1896.32 30.53 o
-3 -3 1 6433.06 6331.38 163.70 o
-2 -3 1 10027.47 10222.95 60.64 o
-1 -3 1 3914.76 3999.78 71.04 o
0 -3 1 5038.80 5158.61 71.42 o
1 -3 1 4991.07 5118.62 55.88 o
2 -3 1 2104.01 2111.32 17.10 o
3 -3 1 5657.29 6028.64 40.69 o
4 -3 1 2144.07 2137.79 17.57 o
5 -3 1 334.57 350.17 9.15 o
6 -3 1 1428.34 1431.66 17.91 o
7 -3 1 310.03 332.90 16.80 o
8 -3 1 1.54 2.55 3.99 o
-9 -2 1 801.47 821.42 25.59 o
-8 -2 1 903.52 934.28 13.77 o
-7 -2 1 1659.70 1736.08 22.50 o
-6 -2 1 1656.31 1706.59 17.57 o
-5 -2 1 189.22 183.07 5.72 o
-4 -2 1 2103.83 2150.98 16.28 o
-3 -2 1 490.17 472.82 5.60 o
-2 -2 1 378.47 384.02 5.78 o
-1 -2 1 464.09 456.76 7.77 o
0 -2 1 112.50 127.19 5.65 o
1 -2 1 936.06 964.56 17.08 o
2 -2 1 195.36 220.62 4.98 o
3 -2 1 607.40 625.00 8.72 o
4 -2 1 639.47 624.32 15.09 o
5 -2 1 257.59 275.90 4.44 o
6 -2 1 926.66 929.53 20.99 o
7 -2 1 411.36 429.49 14.09 o
8 -2 1 240.24 248.73 13.60 o
-9 -1 1 373.95 394.05 17.28 o
-8 -1 1 4.96 5.16 2.59 o
-7 -1 1 251.78 237.67 7.25 o
-6 -1 1 1012.17 1040.40 14.03 o
-5 -1 1 2011.24 2138.88 19.25 o
-4 -1 1 1928.90 1926.30 16.95 o
-3 -1 1 6592.46 6770.03 49.28 o
-2 -1 1 2622.50 2714.82 30.57 o
-1 -1 1 7907.43 8567.43 141.63 o
0 -1 1 4628.85 4882.18 89.48 o
1 -1 1 3337.69 3638.67 108.13 o
2 -1 1 13149.90 13349.50 175.08 o
3 -1 1 4074.82 4159.49 48.24 o
4 -1 1 4427.49 4576.86 41.78 o
5 -1 1 5784.72 5906.25 47.15 o
6 -1 1 838.58 789.98 23.16 o
7 -1 1 1127.99 1122.12 66.14 o
8 -1 1 531.95 570.37 24.60 o
9 -1 1 262.44 266.37 14.45 o
-9 0 1 795.80 813.60 19.87 o
-8 0 1 624.72 620.09 15.63 o
-7 0 1 3503.28 3559.09 129.69 o
-6 0 1 477.84 461.84 31.24 o
-5 0 1 3151.99 3049.95 60.52 o
-4 0 1 4667.42 4818.43 48.32 o
-3 0 1 2649.39 2812.35 18.70 o
-2 0 1 4872.69 5045.99 49.26 o
-1 0 1 995.23 1066.26 19.52 o
1 0 1 535.57 578.81 6.61 o
2 0 1 4326.48 4934.14 46.56 o
3 0 1 674.40 737.45 6.73 o
4 0 1 364.59 360.26 5.25 o
5 0 1 83.14 94.09 2.98 o
6 0 1 22.21 23.32 2.06 o
7 0 1 3.65 3.68 2.26 o
8 0 1 363.01 365.89 29.38 o
9 0 1 300.23 303.49 16.08 o
-8 1 1 10.98 13.03 3.98 o
-7 1 1 2.56 2.94 2.38 o
-6 1 1 8.81 11.53 1.90 o
-5 1 1 540.56 534.79 12.96 o
-4 1 1 1225.32 1197.40 12.24 o
-3 1 1 556.77 574.84 5.65 o
-2 1 1 4441.28 4717.52 48.97 o
-1 1 1 4354.59 4723.46 18.75 o
0 1 1 548.47 579.47 4.57 o
1 1 1 3690.83 3994.31 42.21 o
2 1 1 17313.68 18931.49 212.29 o
3 1 1 2141.32 2140.25 14.13 o
4 1 1 6388.16 6393.46 51.88 o
5 1 1 2703.41 2742.58 46.22 o
6 1 1 3276.53 3388.17 103.95 o
7 1 1 2215.78 2265.51 26.33 o
8 1 1 362.86 373.14 9.79 o
9 1 1 1656.06 1583.05 87.51 o
-8 2 1 1571.16 1586.74 48.95 o
-7 2 1 709.02 719.01 20.41 o
-6 2 1 1335.10 1360.84 18.60 o
-5 2 1 2860.56 2632.62 27.21 o
-4 2 1 1760.72 1691.28 25.40 o
-3 2 1 8232.33 8329.94 63.94 o
-2 2 1 7086.79 7830.50 90.09 o
-1 2 1 2130.08 2147.02 29.34 o
0 2 1 11135.15 11706.43 60.38 o
1 2 1 672.85 728.94 6.24 o
2 2 1 1400.51 1410.14 9.08 o
3 2 1 2365.56 2328.96 22.75 o
4 2 1 649.29 633.03 11.83 o
5 2 1 1083.49 1055.44 11.63 o
6 2 1 250.01 231.10 6.67 o
7 2 1 67.78 68.77 3.71 o
8 2 1 36.09 36.24 3.44 o
9 2 1 11.85 11.88 2.82 o
-7 3 1 1175.88 1187.17 28.38 o
-6 3 1 0.96 0.86 2.06 o
-5 3 1 2.61 5.00 2.13 o
-4 3 1 191.94 190.27 7.22 o
-3 3 1 152.08 143.77 3.55 o
-2 3 1 82.19 86.26 2.51 o
-1 3 1 121.85 137.03 2.55 o
0 3 1 779.48 735.17 19.32 o
1 3 1 471.07 495.43 4.67 o
2 3 1 1094.78 1052.33 15.03 o
3 3 1 3549.62 3614.02 47.67 o
4 3 1 2106.20 2098.30 28.73 o
5 3 1 1599.57 1606.23 19.90 o
6 3 1 2542.43 2568.12 21.18 o
7 3 1 747.58 764.65 13.16 o
8 3 1 1459.48 1463.04 16.07 o
9 3 1 1466.30 1567.32 25.33 o
10 3 1 517.46 505.35 15.36 o
-7 4 1 928.66 905.22 20.68 o
-6 4 1 323.50 317.03 16.05 o
-5 4 1 1037.02 1067.41 33.91 o
-4 4 1 3918.44 3821.99 36.90 o
-3 4 1 1287.78 1328.61 36.51 o
-2 4 1 3529.30 3453.21 20.21 o
-1 4 1 7848.43 8229.59 106.56 o
0 4 1 2339.78 2313.65 17.86 o
1 4 1 3623.26 3614.63 44.75 o
2 4 1 4491.11 4387.12 56.65 o
3 4 1 1954.80 1962.83 20.58 o
4 4 1 4413.04 4487.34 49.47 o
5 4 1 2250.96 2237.39 18.46 o
6 4 1 327.60 321.61 13.23 o
7 4 1 616.72 643.17 11.96 o
8 4 1 339.52 356.57 18.04 o
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0 5 1 793.88 813.76 13.03 o
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2 5 1 812.18 796.63 14.77 o
3 5 1 279.87 293.81 9.06 o
4 5 1 948.00 933.80 26.08 o
5 5 1 355.01 333.19 17.98 o
6 5 1 25.04 20.93 2.74 o
7 5 1 1499.05 1533.85 33.70 o
8 5 1 587.09 677.15 18.45 o
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-5 6 1 565.97 570.37 15.48 o
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2 6 1 1268.80 1278.59 13.43 o
3 6 1 4590.42 4201.74 41.30 o
4 6 1 2781.57 2941.13 19.98 o
5 6 1 1508.78 1547.27 57.55 o
6 6 1 1622.22 1635.87 36.37 o
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8 6 1 587.76 666.83 18.94 o
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-4 7 1 1294.17 1277.84 76.61 o
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-1 7 1 855.42 908.04 19.99 o
0 7 1 446.24 461.16 13.56 o
1 7 1 142.96 138.17 3.42 o
2 7 1 540.75 505.77 15.41 o
3 7 1 0.56 1.95 1.60 o
4 7 1 5.41 6.40 1.42 o
5 7 1 462.83 460.12 18.10 o
6 7 1 46.22 48.98 2.77 o
7 7 1 11.50 12.97 2.44 o
8 7 1 58.95 64.94 6.20 o
9 7 1 611.88 696.94 18.20 o
-3 8 1 339.49 340.07 10.04 o
-2 8 1 103.66 103.29 5.69 o
-1 8 1 418.09 406.93 13.49 o
0 8 1 326.80 297.05 11.99 o
1 8 1 829.06 775.90 23.28 o
2 8 1 1655.56 1666.00 34.37 o
3 8 1 647.66 632.36 18.68 o
4 8 1 2567.79 2860.63 18.24 o
5 8 1 1756.13 1823.29 64.29 o
6 8 1 156.53 166.02 4.74 o
7 8 1 1041.22 1072.41 37.74 o
8 8 1 907.75 886.26 19.59 o
-1 9 1 456.39 476.89 14.96 o
0 9 1 912.06 881.48 28.22 o
1 9 1 481.97 478.32 25.40 o
2 9 1 319.93 307.80 10.13 o
3 9 1 595.41 563.73 35.31 o
4 9 1 366.90 337.39 10.85 o
5 9 1 234.57 269.27 6.20 o
6 9 1 164.27 170.88 6.11 o
7 9 1 69.04 71.95 6.89 o
2 10 1 32.67 27.55 3.03 o
3 10 1 375.98 339.71 26.95 o
4 10 1 593.18 569.23 11.84 o
-6 -9 2 11.52 15.31 2.85 o
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-4 -9 2 80.75 77.07 7.84 o
-3 -9 2 89.06 92.51 5.81 o
-2 -9 2 1094.35 1166.51 33.39 o
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