#------------------------------------------------------------------------------
#$Date: 2025-02-14 05:18:20 +0200 (Fri, 14 Feb 2025) $
#$Revision: 297741 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/27/2312756.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_2312756
_cell_angle_alpha                89.212
_cell_angle_beta                 72.987
_cell_angle_gamma                64.826
_cell_length_a                   8.7405
_cell_length_b                   9.3363
_cell_length_c                   14.3558
_exptl_crystal_F_000             520.00
_reflns_d_resolution_high        0.8110
_cod_data_source_file            son3001Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' mo_220516_ZYM2_0m in P1 No1 New:P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            169.78
_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 10643.48 11818.34 846.76 o
2 0 0 1245.14 1304.05 44.76 o
3 0 0 2618.58 2436.42 76.89 o
4 0 0 15168.59 15065.93 524.79 o
5 0 0 1382.51 1275.05 43.25 o
6 0 0 184.36 157.94 7.77 o
7 0 0 818.96 926.86 31.78 o
8 0 0 213.89 231.12 23.40 o
9 0 0 229.98 273.14 21.59 o
-8 1 0 36.55 24.59 4.62 o
-7 1 0 0.19 0.00 3.20 o
-6 1 0 62.91 104.36 8.23 o
-5 1 0 104.76 110.90 6.18 o
-4 1 0 309.52 297.62 10.23 o
-3 1 0 198.56 287.41 9.50 o
-2 1 0 2767.62 2789.14 80.46 o
-1 1 0 1276.64 996.41 29.16 o
0 1 0 8550.32 8418.26 462.06 o
1 1 0 5884.98 6701.75 331.70 o
2 1 0 356.87 520.38 18.71 o
3 1 0 9184.83 7946.04 278.42 o
4 1 0 11206.89 10644.73 372.80 o
5 1 0 4271.99 4282.85 135.07 o
6 1 0 229.00 221.97 9.02 o
7 1 0 1995.63 2065.38 74.58 o
8 1 0 1882.72 1799.01 94.57 o
9 1 0 796.53 816.28 39.82 o
-8 2 0 864.84 1031.47 40.95 o
-7 2 0 360.19 440.51 20.53 o
-6 2 0 559.30 497.73 17.59 o
-5 2 0 2102.24 2161.25 63.79 o
-4 2 0 4307.72 4314.75 115.29 o
-3 2 0 758.61 585.26 18.35 o
-2 2 0 2392.27 2937.07 78.58 o
-1 2 0 219.36 319.21 16.60 o
0 2 0 7710.57 8248.96 334.43 o
1 2 0 1617.63 2012.56 63.39 o
2 2 0 972.09 1306.63 41.41 o
3 2 0 1532.53 1397.56 44.26 o
4 2 0 522.38 482.37 17.79 o
5 2 0 34.23 40.90 2.96 o
6 2 0 588.17 550.70 24.81 o
7 2 0 1947.90 1848.40 77.92 o
8 2 0 1057.90 995.88 44.43 o
9 2 0 52.15 37.37 9.55 o
-7 3 0 3.55 1.80 3.95 o
-6 3 0 234.52 249.83 11.93 o
-5 3 0 4305.27 4343.86 116.84 o
-4 3 0 3426.35 3473.42 93.65 o
-3 3 0 825.86 762.60 22.30 o
-2 3 0 2908.31 2751.50 74.48 o
-1 3 0 14309.12 14335.15 503.19 o
0 3 0 6886.67 6497.05 186.72 o
1 3 0 4603.46 4945.86 155.54 o
2 3 0 9443.34 10406.51 364.64 o
3 3 0 10911.39 10196.80 319.46 o
4 3 0 3042.92 2638.04 83.23 o
5 3 0 1274.20 1215.55 62.15 o
6 3 0 212.71 221.08 14.07 o
7 3 0 238.49 246.82 13.99 o
8 3 0 180.88 170.98 12.06 o
9 3 0 91.28 138.91 13.12 o
10 3 0 16.78 5.44 8.94 o
-7 4 0 30.48 46.99 6.39 o
-6 4 0 55.28 88.41 8.86 o
-5 4 0 470.21 490.68 22.02 o
-4 4 0 33.84 38.38 3.97 o
-3 4 0 632.55 630.65 20.77 o
-2 4 0 1729.05 1655.40 49.43 o
-1 4 0 12163.48 11970.76 343.53 o
0 4 0 3855.38 3701.80 107.43 o
1 4 0 1564.43 1506.31 48.46 o
2 4 0 8284.75 8771.55 275.30 o
3 4 0 23375.28 23026.99 930.39 o
4 4 0 8985.75 8681.39 272.39 o
5 4 0 3.24 33.27 2.89 o
6 4 0 2034.23 1958.24 99.34 o
7 4 0 3877.06 3593.54 180.87 o
8 4 0 1177.59 1130.38 49.50 o
9 4 0 13.69 10.05 5.32 o
10 4 0 51.06 58.14 20.22 o
-6 5 0 47.73 50.02 7.41 o
-5 5 0 951.86 953.61 30.60 o
-4 5 0 7.42 8.79 3.10 o
-3 5 0 63.98 75.81 6.47 o
-2 5 0 120.85 110.14 12.05 o
-1 5 0 464.13 523.81 22.77 o
0 5 0 208.20 257.31 9.99 o
1 5 0 1759.75 1802.45 58.15 o
2 5 0 361.31 304.57 11.42 o
3 5 0 1715.69 1753.25 56.19 o
4 5 0 157.71 171.19 6.77 o
5 5 0 1057.22 924.98 30.18 o
6 5 0 1667.08 1590.07 66.25 o
7 5 0 2693.10 2625.99 133.22 o
8 5 0 357.19 334.42 21.41 o
9 5 0 2.80 13.76 5.60 o
10 5 0 446.40 475.36 26.40 o
-5 6 0 1330.29 1393.46 67.79 o
-4 6 0 254.09 296.65 14.18 o
-3 6 0 541.43 528.44 20.48 o
-2 6 0 1868.64 1985.37 59.72 o
-1 6 0 3202.17 3145.84 92.72 o
0 6 0 363.55 303.95 15.22 o
1 6 0 1640.51 1649.74 61.34 o
2 6 0 1204.95 1262.25 41.51 o
3 6 0 694.45 594.50 22.78 o
4 6 0 1597.41 1496.30 54.20 o
5 6 0 7.97 21.83 2.43 o
6 6 0 5.04 12.55 2.38 o
7 6 0 0.14 9.98 3.07 o
8 6 0 1092.01 1064.06 56.86 o
9 6 0 405.08 360.21 31.94 o
10 6 0 279.01 249.41 17.92 o
-4 7 0 4.53 3.16 5.02 o
-3 7 0 667.41 694.26 42.59 o
-2 7 0 2645.54 2490.53 122.11 o
-1 7 0 1136.69 1069.69 34.75 o
0 7 0 699.78 611.07 31.66 o
1 7 0 1566.55 1611.59 49.26 o
2 7 0 6437.78 6452.11 203.78 o
3 7 0 3224.39 3307.28 105.61 o
4 7 0 163.14 169.30 9.30 o
5 7 0 672.24 654.16 22.76 o
6 7 0 2677.41 2610.65 83.38 o
7 7 0 1056.21 1101.51 47.58 o
8 7 0 72.46 77.72 7.37 o
9 7 0 15.25 25.11 7.18 o
10 7 0 268.96 262.36 22.48 o
-3 8 0 2.93 13.15 5.92 o
-2 8 0 82.40 67.87 7.82 o
-1 8 0 12.46 0.84 6.06 o
0 8 0 1554.89 1496.56 69.73 o
1 8 0 1336.72 1269.84 49.81 o
2 8 0 3204.83 3183.54 94.18 o
3 8 0 910.19 949.80 32.66 o
4 8 0 627.49 636.80 23.92 o
5 8 0 1262.99 1302.89 43.23 o
6 8 0 2413.83 2532.81 81.39 o
7 8 0 769.72 817.56 36.86 o
8 8 0 68.62 105.34 14.54 o
9 8 0 399.87 431.38 22.37 o
-2 9 0 632.58 594.90 32.89 o
-1 9 0 143.74 138.94 12.13 o
0 9 0 55.00 46.22 5.62 o
1 9 0 247.12 223.61 17.26 o
2 9 0 68.20 68.76 7.81 o
3 9 0 113.76 114.02 7.32 o
4 9 0 299.81 323.37 14.95 o
5 9 0 622.28 655.80 23.94 o
6 9 0 248.99 274.65 12.42 o
7 9 0 7.88 11.27 4.69 o
8 9 0 68.08 63.60 7.49 o
9 9 0 779.58 858.15 145.03 o
0 10 0 359.13 329.77 24.09 o
1 10 0 960.77 930.54 46.92 o
2 10 0 1081.69 1106.55 43.26 o
3 10 0 324.45 383.40 18.52 o
4 10 0 193.23 189.90 11.78 o
5 10 0 891.44 932.27 66.61 o
6 10 0 572.27 570.09 29.34 o
7 10 0 492.63 549.04 24.24 o
8 10 0 42.28 37.17 7.54 o
2 11 0 640.87 548.63 33.51 o
3 11 0 4.56 0.00 7.11 o
4 11 0 342.78 320.23 26.73 o
5 11 0 948.00 867.16 46.29 o
6 11 0 708.01 728.59 52.19 o
7 11 0 5.41 8.47 5.60 o
-6 -11 1 174.85 193.59 16.92 o
-5 -11 1 1741.54 1730.74 93.70 o
-4 -11 1 760.45 743.05 40.87 o
-3 -11 1 294.48 307.48 30.01 o
-2 -11 1 84.04 77.41 12.36 o
-8 -10 1 61.93 54.30 8.26 o
-7 -10 1 149.16 160.50 15.55 o
-6 -10 1 85.13 91.44 7.68 o
-5 -10 1 719.12 747.37 30.55 o
-4 -10 1 259.69 315.11 15.60 o
-3 -10 1 53.17 61.31 9.19 o
-2 -10 1 141.24 133.10 11.17 o
-1 -10 1 1264.76 1293.16 52.55 o
0 -10 1 497.04 505.59 32.08 o
-9 -9 1 941.44 1086.42 59.43 o
-8 -9 1 505.00 557.64 65.48 o
-7 -9 1 19.48 27.78 4.75 o
-6 -9 1 69.01 89.43 6.99 o
-5 -9 1 927.28 1001.28 38.19 o
-4 -9 1 392.88 452.91 21.72 o
-3 -9 1 57.40 47.95 5.55 o
-2 -9 1 7.51 11.32 5.61 o
-1 -9 1 89.74 78.74 12.96 o
0 -9 1 6.91 3.47 4.78 o
1 -9 1 8.42 9.33 5.43 o
2 -9 1 159.98 135.07 14.10 o
-9 -8 1 660.38 638.77 89.95 o
-8 -8 1 730.21 786.65 36.78 o
-7 -8 1 337.58 359.15 15.85 o
-6 -8 1 2867.69 2955.42 94.70 o
-5 -8 1 3005.12 3076.72 110.38 o
-4 -8 1 1388.23 1500.16 55.08 o
-3 -8 1 48.08 43.11 5.27 o
-2 -8 1 889.47 882.95 30.96 o
-1 -8 1 2412.13 2279.26 84.84 o
0 -8 1 788.11 729.27 69.15 o
1 -8 1 0.36 1.03 4.48 o
2 -8 1 252.91 221.51 16.68 o
3 -8 1 395.64 437.36 29.40 o
-9 -7 1 29.04 27.26 8.20 o
-8 -7 1 9.84 12.75 3.99 o
-7 -7 1 193.15 198.07 8.65 o
-6 -7 1 2638.87 2476.55 79.38 o
-5 -7 1 2799.13 2697.06 86.40 o
-4 -7 1 202.73 228.25 9.67 o
-3 -7 1 1158.52 1154.98 38.66 o
-2 -7 1 7849.42 7864.19 248.04 o
-1 -7 1 6025.92 5945.37 172.31 o
0 -7 1 239.67 279.11 14.07 o
1 -7 1 110.43 97.92 7.46 o
2 -7 1 3440.42 3482.34 161.85 o
3 -7 1 2036.31 1993.69 66.98 o
4 -7 1 179.35 191.37 15.56 o
-10 -6 1 586.72 531.58 45.12 o
-9 -6 1 186.53 162.03 15.94 o
-8 -6 1 71.65 58.90 8.55 o
-7 -6 1 0.45 10.98 3.17 o
-6 -6 1 646.94 668.03 25.32 o
-5 -6 1 4.97 13.71 2.39 o
-4 -6 1 733.09 682.88 23.16 o
-3 -6 1 496.35 510.21 17.92 o
-2 -6 1 393.62 391.43 14.43 o
-1 -6 1 1511.36 1625.24 68.67 o
0 -6 1 21.33 40.99 4.11 o
1 -6 1 401.07 373.16 13.96 o
2 -6 1 1228.24 1322.84 40.90 o
3 -6 1 1644.48 1685.48 56.45 o
4 -6 1 189.30 156.02 10.01 o
5 -6 1 97.33 126.61 12.56 o
-10 -5 1 1507.50 1470.73 81.10 o
-9 -5 1 598.35 566.62 28.89 o
-8 -5 1 390.94 373.72 19.74 o
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-6 -5 1 9083.88 8918.85 280.01 o
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-4 -5 1 119.97 167.07 6.82 o
-3 -5 1 2049.79 2055.10 73.50 o
-2 -5 1 5262.24 5611.73 197.70 o
-1 -5 1 2399.37 2222.05 71.31 o
0 -5 1 1.71 0.15 1.59 o
1 -5 1 129.06 138.22 6.88 o
2 -5 1 569.84 550.31 20.60 o
3 -5 1 769.51 774.21 24.89 o
4 -5 1 41.82 43.45 5.03 o
5 -5 1 24.83 25.12 5.59 o
6 -5 1 92.55 65.19 8.20 o
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-3 -4 1 9982.56 9559.04 299.99 o
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0 -4 1 646.57 592.93 22.55 o
1 -4 1 10033.54 10014.00 287.51 o
2 -4 1 3822.59 3445.70 100.31 o
3 -4 1 4017.90 3961.47 115.29 o
4 -4 1 98.77 73.14 5.73 o
5 -4 1 1782.69 1897.53 62.62 o
6 -4 1 353.06 443.08 19.45 o
7 -4 1 309.69 394.57 19.07 o
-9 -3 1 8.21 17.46 6.95 o
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-6 -3 1 20.03 20.95 2.49 o
-5 -3 1 36.22 81.76 4.79 o
-4 -3 1 334.13 236.94 8.45 o
-3 -3 1 4079.79 3651.34 114.99 o
-2 -3 1 2605.80 2547.07 73.46 o
-1 -3 1 399.59 427.95 13.14 o
0 -3 1 2255.07 1950.43 62.13 o
1 -3 1 14274.93 14589.16 591.11 o
2 -3 1 15611.67 15949.49 500.04 o
3 -3 1 519.42 585.52 18.58 o
4 -3 1 35.77 43.36 4.22 o
5 -3 1 2401.60 2515.75 81.23 o
6 -3 1 2794.05 2907.30 93.88 o
7 -3 1 51.90 42.60 5.19 o
-9 -2 1 3.92 6.78 6.75 o
-8 -2 1 384.78 354.78 25.49 o
-7 -2 1 2578.85 2400.85 77.31 o
-6 -2 1 2017.45 1866.75 60.21 o
-5 -2 1 67.91 47.10 3.54 o
-4 -2 1 616.88 847.14 30.84 o
-3 -2 1 3881.69 3635.67 114.36 o
-2 -2 1 4165.80 4149.96 119.00 o
-1 -2 1 4887.02 4632.12 132.71 o
0 -2 1 398.93 403.38 13.39 o
1 -2 1 155.60 198.88 10.47 o
2 -2 1 1211.18 1496.92 43.63 o
3 -2 1 339.80 252.72 10.63 o
4 -2 1 227.80 202.10 8.19 o
5 -2 1 142.57 145.57 7.82 o
6 -2 1 1490.16 1457.98 47.93 o
7 -2 1 157.73 131.04 8.95 o
8 -2 1 136.36 202.13 11.85 o
-9 -1 1 125.41 110.30 13.91 o
-8 -1 1 1393.24 1432.14 48.01 o
-7 -1 1 3260.53 3389.89 121.47 o
-6 -1 1 2831.36 2750.57 87.89 o
-5 -1 1 140.08 154.90 6.90 o
-4 -1 1 11310.06 11063.02 387.56 o
-3 -1 1 16136.64 15157.50 750.51 o
-2 -1 1 2968.73 3331.23 117.16 o
-1 -1 1 92.46 264.64 9.70 o
0 -1 1 8783.99 8517.39 437.88 o
1 -1 1 8992.81 8642.88 428.45 o
2 -1 1 10427.29 10061.43 352.33 o
3 -1 1 36.65 96.44 4.05 o
4 -1 1 435.16 415.64 13.58 o
5 -1 1 708.33 776.03 23.88 o
6 -1 1 2981.71 3097.02 98.43 o
7 -1 1 81.13 83.10 9.89 o
8 -1 1 21.14 11.36 7.71 o
-9 0 1 1.67 0.00 9.22 o
-8 0 1 401.05 513.01 20.03 o
-7 0 1 915.54 1047.64 35.93 o
-6 0 1 26.88 56.04 6.03 o
-5 0 1 205.80 178.96 12.09 o
-4 0 1 3228.75 3051.98 113.99 o
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-2 0 1 4876.95 5081.50 194.85 o
-1 0 1 827.05 893.40 30.01 o
1 0 1 15444.64 17431.91 869.95 o
2 0 1 4120.04 3799.57 108.55 o
3 0 1 1135.48 951.32 25.63 o
4 0 1 9604.31 9578.57 299.09 o
5 0 1 8156.31 8207.02 256.82 o
6 0 1 2089.99 2007.04 64.69 o
7 0 1 145.82 135.34 11.71 o
8 0 1 520.25 514.28 27.21 o
9 0 1 210.07 269.82 21.85 o
-8 1 1 367.46 316.79 27.99 o
-7 1 1 174.35 173.05 14.66 o
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-5 1 1 28.57 30.99 4.12 o
-4 1 1 97.48 130.33 5.93 o
-3 1 1 92.10 151.45 6.54 o
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0 1 1 38.47 49.69 2.77 o
1 1 1 4939.40 5539.69 282.28 o
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3 1 1 4369.59 3505.42 246.12 o
4 1 1 2811.07 2490.32 124.31 o
5 1 1 5724.38 5517.92 224.53 o
6 1 1 9.45 17.72 4.14 o
7 1 1 50.31 83.14 14.80 o
8 1 1 896.36 937.19 42.57 o
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-8 2 1 941.56 1075.01 90.06 o
-7 2 1 1571.76 1693.72 88.47 o
-6 2 1 120.20 87.08 6.00 o
-5 2 1 2027.70 2116.67 62.97 o
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-3 2 1 7567.25 7526.37 199.68 o
-2 2 1 11.02 76.64 5.73 o
-1 2 1 628.20 775.58 23.67 o
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4 2 1 177.47 134.24 8.07 o
5 2 1 11.09 57.25 5.42 o
6 2 1 95.25 80.47 7.91 o
7 2 1 814.70 790.53 35.07 o
8 2 1 168.72 174.08 13.14 o
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-6 5 1 64.42 48.64 6.58 o
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-1 5 1 702.91 769.66 24.81 o
0 5 1 442.43 488.67 17.61 o
1 5 1 1353.02 1398.15 46.20 o
2 5 1 1547.34 1521.47 49.19 o
3 5 1 1558.35 1494.95 48.16 o
4 5 1 505.50 609.84 22.63 o
5 5 1 435.20 383.67 17.62 o
6 5 1 1254.39 1189.60 49.96 o
7 5 1 183.90 176.03 9.71 o
8 5 1 549.89 528.01 30.87 o
9 5 1 14.57 25.23 6.75 o
10 5 1 481.61 504.32 37.97 o
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-4 6 1 1729.61 1803.14 72.73 o
-3 6 1 4.00 6.44 3.91 o
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-1 6 1 4640.05 4509.12 131.74 o
0 6 1 5445.99 5289.26 153.75 o
1 6 1 262.60 263.77 13.33 o
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3 6 1 2707.30 2705.69 86.35 o
4 6 1 1256.12 1093.22 35.79 o
5 6 1 150.74 128.56 5.74 o
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7 6 1 50.03 52.77 5.30 o
8 6 1 50.86 62.46 6.78 o
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10 6 1 241.84 268.52 21.47 o
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0 7 1 486.24 427.26 18.90 o
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4 0 16 679.46 642.43 45.00 o
5 0 16 279.47 318.38 18.10 o
6 0 16 33.04 45.12 6.38 o
0 1 16 467.66 428.16 22.22 o
1 1 16 9.41 7.06 5.18 o
2 1 16 109.76 103.40 7.92 o
3 1 16 549.33 605.56 26.16 o
4 1 16 1047.49 1065.06 50.62 o
5 1 16 95.21 98.79 9.34 o
6 1 16 12.57 27.82 6.16 o
7 1 16 276.16 343.13 23.34 o
0 2 16 120.46 110.96 9.92 o
1 2 16 191.69 191.17 12.40 o
2 2 16 339.37 326.76 14.57 o
3 2 16 116.97 122.29 10.72 o
4 2 16 4.62 12.44 7.60 o
5 2 16 44.16 41.14 6.77 o
6 2 16 657.06 719.56 30.96 o
7 2 16 408.49 389.63 28.82 o
1 3 16 137.43 120.77 10.53 o
2 3 16 16.31 7.29 4.70 o
3 3 16 10.95 17.37 7.09 o
4 3 16 413.35 443.42 24.15 o
5 3 16 49.25 51.54 7.61 o
6 3 16 5.10 5.73 7.76 o
7 3 16 243.92 196.68 14.03 o
2 4 16 562.89 516.56 22.70 o
3 4 16 390.03 396.83 25.05 o
4 4 16 87.59 74.54 10.02 o
5 4 16 12.92 9.34 6.50 o
6 4 16 384.56 364.91 28.81 o
5 5 16 350.93 257.81 21.33 o
2 -3 17 107.23 102.50 9.26 o
1 -2 17 517.48 465.95 24.89 o
2 -2 17 8.74 6.62 6.17 o
3 -2 17 327.85 343.31 28.59 o
4 -2 17 415.46 460.93 46.44 o
1 -1 17 122.98 117.44 9.58 o
2 -1 17 22.70 37.41 6.43 o
3 -1 17 44.59 61.73 8.01 o
4 -1 17 43.08 42.64 7.23 o
1 0 17 501.76 506.96 21.77 o
2 0 17 40.99 47.53 5.86 o
3 0 17 188.38 194.88 13.60 o
4 0 17 152.75 143.04 13.16 o
5 0 17 115.54 129.83 15.14 o
1 1 17 111.98 86.46 9.03 o
2 1 17 37.82 37.08 5.81 o
3 1 17 886.57 914.80 54.65 o
4 1 17 989.38 912.98 48.49 o
5 1 17 83.94 100.13 9.78 o
2 2 17 239.63 223.05 13.35 o
3 2 17 416.20 402.04 21.90 o
4 2 17 419.16 391.56 28.22 o
5 2 17 96.78 72.95 8.90 o
3 3 17 127.91 130.72 13.35 o
4 3 17 57.95 61.82 9.22 o
5 3 17 7.21 0.00 5.68 o