#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2203717.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_2203717_Fobs
loop_
_publ_author_name
'Nockemann, Peter'
'Meyer, Gerd'
_publ_section_title
;
catena-Poly[mercury(II)-di-\m-chloro-\m-pyridazine-\k^2^N:N']
;
_journal_issue 6
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m751
_journal_page_last m752
_journal_volume 60
_journal_year 2004
_space_group_IT_number 74
_symmetry_space_group_name_Hall '-I 2b 2'
_symmetry_space_group_name_H-M 'I m m a'
_cell_angle_alpha 90.000
_cell_angle_beta 90.000
_cell_angle_gamma 90.000
_cell_length_a 7.4580
_cell_length_b 7.1667
_cell_length_c 13.1360
_exptl_crystal_F_000 624.00
_reflns_d_resolution_high 0.7834
_[local]_cod_data_source_file cf6342Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' HG2PDZ IMMA'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 311.47
_shelx_f_squared_multiplier 1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y+1/2, z'
'x, -y, -z'
'-x, y+1/2, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z'
'-x, y, z'
'x, -y-1/2, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y, 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
2 0 0 71824.43 70324.48 1053.33 o
4 0 0 68005.05 68743.73 650.12 o
6 0 0 3752.84 3678.48 401.27 o
8 0 0 2278.73 2102.27 572.48 o
0 2 0 29308.31 28604.71 852.26 o
2 2 0 97013.42 96004.95 839.51 o
4 2 0 7084.46 7172.23 321.63 o
6 2 0 7620.08 7337.73 542.29 o
8 2 0 81.12 90.26 276.37 o
0 4 0 58898.27 56238.61 570.88 o
2 4 0 9877.66 9875.23 299.41 o
4 4 0 17196.27 17159.84 330.52 o
6 4 0 526.21 892.32 318.18 o
8 4 0 581.31 533.33 280.88 o
0 6 0 15526.22 15598.66 334.29 o
2 6 0 29725.54 29623.71 288.50 o
4 6 0 4399.20 4389.13 273.37 o
6 6 0 3449.57 3715.84 309.65 o
0 8 0 13800.61 14046.23 316.72 o
2 8 0 4234.84 4083.71 239.98 o
4 8 0 4580.85 4269.20 275.32 o
1 0 1 88929.75 89383.81 811.58 o
3 0 1 32629.57 32778.18 438.22 o
5 0 1 13392.34 13445.95 373.88 o
7 0 1 856.59 807.02 232.92 o
9 0 1 355.55 545.36 236.18 o
0 1 1 821.63 781.43 571.49 o
2 1 1 10244.35 10751.61 369.28 o
4 1 1 45.36 181.10 239.68 o
6 1 1 696.30 875.98 222.88 o
8 1 1 0.95 147.73 177.56 o
1 2 1 62435.07 60998.26 531.82 o
3 2 1 37089.99 37614.86 295.13 o
5 2 1 6322.87 6513.39 236.18 o
7 2 1 2241.35 2232.21 191.07 o
9 2 1 36.66 6.04 173.08 o
0 3 1 4218.13 4283.76 285.74 o
2 3 1 23.57 39.73 214.18 o
4 3 1 1050.90 875.52 218.74 o
6 3 1 10.01 80.75 221.62 o
8 3 1 66.25 281.98 220.89 o
1 4 1 41570.91 41175.63 429.47 o
3 4 1 18142.77 18335.93 245.28 o
5 4 1 7711.01 7444.48 240.75 o
7 4 1 584.03 493.28 193.92 o
0 5 1 1215.93 1404.70 249.57 o
2 5 1 31.01 110.11 176.05 o
4 5 1 459.27 591.10 195.65 o
6 5 1 4.72 189.36 206.10 o
1 6 1 21048.91 21301.33 159.75 o
3 6 1 13274.58 13605.13 201.88 o
5 6 1 2906.42 2979.15 210.12 o
7 6 1 967.07 968.43 216.31 o
0 7 1 394.50 712.74 214.21 o
2 7 1 13.49 26.12 145.83 o
4 7 1 174.53 236.81 191.40 o
6 7 1 1.42 318.50 224.04 o
1 8 1 9971.55 9953.43 165.49 o
3 8 1 4958.82 4933.12 157.21 o
0 9 1 32.10 65.23 219.09 o
0 0 2 85314.85 83169.31 926.38 o
2 0 2 14299.78 14733.90 538.75 o
4 0 2 21637.54 21286.08 353.79 o
6 0 2 1069.99 1213.28 261.46 o
8 0 2 620.19 819.80 224.50 o
1 1 2 18.34 52.56 313.35 o
3 1 2 234.10 184.02 233.69 o
5 1 2 116.34 115.88 201.42 o
7 1 2 87.86 228.70 173.28 o
9 1 2 24.99 -94.57 178.03 o
0 2 2 36185.46 35098.39 818.83 o
2 2 2 68733.16 66875.84 406.58 o
4 2 2 9367.57 9353.70 230.77 o
6 2 2 5653.60 5751.50 213.38 o
8 2 2 174.98 439.91 167.42 o
1 3 2 0.40 -242.83 203.90 o
3 3 2 145.69 204.28 207.68 o
5 3 2 79.30 166.76 211.45 o
7 3 2 63.30 -81.58 188.04 o
0 4 2 65965.18 62471.61 1887.71 o
2 4 2 22997.08 23435.06 219.18 o
4 4 2 19093.89 19160.22 273.10 o
6 4 2 1763.86 1918.31 219.17 o
8 4 2 708.79 719.63 210.62 o
1 5 2 100.09 77.55 159.10 o
3 5 2 1.30 54.28 204.00 o
5 5 2 101.16 239.47 214.42 o
7 5 2 16.63 426.22 193.99 o
0 6 2 15543.88 15887.22 297.80 o
2 6 2 21729.52 22396.22 258.54 o
4 6 2 4378.02 4328.12 199.15 o
6 6 2 2264.05 2271.68 218.49 o
1 7 2 6.29 69.08 148.10 o
3 7 2 9.68 112.63 172.43 o
5 7 2 26.08 164.67 176.02 o
0 8 2 14255.98 14028.91 358.31 o
2 8 2 6505.22 6377.15 160.24 o
4 8 2 4760.60 4491.48 196.23 o
1 9 2 1.12 306.04 160.69 o
1 0 3 69065.10 69507.05 564.70 o
3 0 3 30480.98 30583.54 456.42 o
5 0 3 9288.60 9057.51 325.28 o
7 0 3 1160.59 1106.68 258.75 o
9 0 3 174.79 18.20 238.72 o
0 1 3 11001.99 12055.13 409.94 o
2 1 3 6707.53 6730.47 270.97 o
4 1 3 2489.30 2761.54 206.59 o
6 1 3 670.54 824.80 195.38 o
8 1 3 150.84 183.21 170.64 o
1 2 3 59866.74 58954.60 632.53 o
3 2 3 31288.14 31131.64 297.37 o
5 2 3 7577.07 7291.67 222.43 o
7 2 3 1546.12 1626.72 172.11 o
9 2 3 100.86 15.78 171.47 o
0 3 3 2947.47 3036.60 283.55 o
2 3 3 5468.41 5554.94 217.85 o
4 3 3 963.19 1157.70 211.52 o
6 3 3 711.54 652.74 194.44 o
8 3 3 68.74 11.61 183.99 o
1 4 3 38165.37 38120.16 210.30 o
3 4 3 19122.35 18789.94 215.60 o
5 4 3 6223.35 6279.22 196.91 o
7 4 3 867.21 723.79 187.34 o
0 5 3 3493.29 3371.68 246.55 o
2 5 3 644.47 709.04 169.75 o
4 5 3 1337.17 1365.44 188.46 o
6 5 3 118.88 216.62 209.38 o
1 6 3 17503.48 17766.98 190.28 o
3 6 3 10001.70 10071.63 182.73 o
5 6 3 2764.51 2976.66 211.61 o
0 7 3 522.40 741.21 198.56 o
2 7 3 671.94 631.03 160.69 o
4 7 3 234.37 284.75 188.89 o
1 8 3 9135.33 9089.96 167.16 o
3 8 3 4983.31 4922.95 165.14 o
0 9 3 183.93 451.80 222.62 o
0 0 4 54105.95 53634.00 1298.26 o
2 0 4 49092.60 48946.02 399.87 o
4 0 4 13215.62 13275.97 292.82 o
6 0 4 3636.99 3737.50 268.79 o
8 0 4 283.19 629.80 234.68 o
1 1 4 299.12 396.48 215.98 o
3 1 4 53.81 45.09 203.43 o
5 1 4 306.61 367.02 196.94 o
7 1 4 83.61 170.18 173.37 o
9 1 4 45.64 -7.76 166.08 o
0 2 4 81696.04 79764.23 1158.08 o
2 2 4 45564.71 45301.48 267.49 o
4 2 4 20745.14 20872.79 232.36 o
6 2 4 3496.59 3592.29 184.47 o
8 2 4 650.98 545.00 173.46 o
1 3 4 0.51 -24.75 181.86 o
3 3 4 222.92 383.95 228.68 o
5 3 4 97.24 160.76 200.00 o
7 3 4 94.32 279.28 190.14 o
0 4 4 37132.27 37172.58 310.12 o
2 4 4 32610.02 32344.14 244.69 o
4 4 4 10497.31 10790.10 210.11 o
6 4 4 3065.28 3176.41 193.37 o
8 4 4 325.60 295.82 187.56 o
1 5 4 4.42 151.10 158.64 o
3 5 4 72.56 133.40 185.29 o
5 5 4 59.20 115.86 183.59 o
7 5 4 50.97 -187.05 209.95 o
0 6 4 15641.93 16174.08 234.17 o
2 6 4 9379.05 9522.93 164.06 o
4 6 4 4630.19 4943.26 203.45 o
6 6 4 765.15 729.96 207.37 o
1 7 4 18.29 139.41 150.65 o
3 7 4 88.09 145.54 156.36 o
5 7 4 5.49 37.74 163.79 o
0 8 4 7459.01 7445.73 219.76 o
2 8 4 6490.38 6303.99 156.02 o
4 8 4 2320.98 2029.45 185.32 o
1 0 5 57691.64 56939.51 374.77 o
3 0 5 32009.38 31907.51 349.26 o
5 0 5 6707.89 6408.68 268.73 o
7 0 5 1773.39 1862.58 248.37 o
9 0 5 68.50 142.80 228.67 o
0 1 5 11236.97 11946.14 335.41 o
2 1 5 648.80 862.00 191.55 o
4 1 5 2917.32 2886.20 225.43 o
6 1 5 102.45 415.10 175.62 o
8 1 5 193.98 252.27 160.65 o
1 2 5 46259.27 46120.00 343.98 o
3 2 5 20938.20 20992.05 216.39 o
5 2 5 7647.16 7743.53 190.87 o
7 2 5 751.98 720.75 184.68 o
0 3 5 2903.99 3041.47 265.06 o
2 3 5 1598.86 1543.46 195.80 o
4 3 5 976.85 825.22 217.65 o
6 3 5 241.67 598.51 178.83 o
8 3 5 70.09 43.37 182.94 o
1 4 5 27284.18 27508.94 190.15 o
3 4 5 16168.80 16092.16 235.82 o
5 4 5 3739.28 3780.83 189.27 o
7 4 5 1010.55 994.82 172.81 o
0 5 5 49.40 88.95 223.05 o
2 5 5 2661.93 2786.07 137.82 o
4 5 5 20.06 297.81 170.98 o
6 5 5 491.32 564.99 180.28 o
1 6 5 16721.56 17041.67 243.63 o
3 6 5 8475.40 8526.65 166.33 o
5 6 5 3260.71 3375.64 177.33 o
0 7 5 78.52 47.08 271.57 o
2 7 5 741.55 823.91 154.39 o
4 7 5 36.13 108.99 168.76 o
1 8 5 7446.12 7429.71 171.61 o
3 8 5 4529.82 3764.85 207.86 o
0 0 6 32065.24 32529.22 440.56 o
2 0 6 67192.54 67992.05 416.46 o
4 0 6 8289.16 8410.44 281.23 o
6 0 6 6358.25 6398.74 268.89 o
8 0 6 190.60 348.84 242.34 o
1 1 6 0.59 111.42 191.71 o
3 1 6 51.77 186.86 177.18 o
5 1 6 29.19 285.25 179.17 o
7 1 6 26.87 19.81 172.06 o
0 2 6 53178.90 51413.73 387.74 o
2 2 6 10407.55 10250.43 187.19 o
4 2 6 15448.62 15488.90 203.84 o
6 2 6 615.96 826.78 180.07 o
8 2 6 525.55 726.13 178.74 o
1 3 6 0.46 183.35 173.59 o
3 3 6 43.51 31.68 178.76 o
5 3 6 18.02 55.50 174.83 o
7 3 6 18.99 1.21 182.33 o
0 4 6 12126.12 12631.23 258.46 o
2 4 6 26005.06 26315.31 182.04 o
4 4 6 3045.41 3194.78 201.27 o
6 4 6 2570.70 2423.12 181.49 o
1 5 6 51.90 11.76 159.38 o
3 5 6 1.42 152.40 200.68 o
5 5 6 39.87 231.74 169.46 o
7 5 6 3.09 388.00 183.45 o
0 6 6 28573.54 28886.79 299.46 o
2 6 6 10515.57 10610.56 168.05 o
4 6 6 9680.13 9748.83 190.40 o
6 6 6 1039.78 1095.83 187.38 o
1 7 6 17.06 51.05 169.24 o
3 7 6 32.99 185.13 176.22 o
5 7 6 0.29 232.62 174.00 o
0 8 6 5826.31 5881.57 268.05 o
2 8 6 8363.67 8073.72 214.55 o
1 0 7 35766.59 35461.02 298.49 o
3 0 7 22500.24 22320.14 276.51 o
5 0 7 3995.82 4069.99 315.59 o
7 0 7 1511.88 1167.97 242.31 o
0 1 7 77.95 18.14 214.88 o
2 1 7 246.94 352.82 166.64 o
4 1 7 22.73 87.04 164.06 o
6 1 7 35.27 140.05 172.85 o
8 1 7 2.86 -198.24 168.28 o
1 2 7 33349.89 33855.38 208.09 o
3 2 7 14398.85 14421.82 182.94 o
5 2 7 6452.11 6365.30 191.86 o
7 2 7 448.15 691.33 170.87 o
0 3 7 60.58 727.26 235.29 o
2 3 7 174.25 93.92 156.56 o
4 3 7 15.63 142.20 175.04 o
6 3 7 20.08 24.12 166.32 o
8 3 7 0.44 100.94 184.82 o
1 4 7 20451.74 20321.35 175.82 o
3 4 7 13170.62 13211.97 180.71 o
5 4 7 2637.91 2578.07 186.61 o
7 4 7 974.01 748.53 174.48 o
0 5 7 820.49 750.60 228.32 o
2 5 7 425.96 590.59 147.40 o
4 5 7 317.78 610.70 203.70 o
6 5 7 71.40 68.19 176.55 o
1 6 7 12818.35 13036.99 178.33 o
3 6 7 6133.58 6111.34 152.20 o
5 6 7 2724.12 2696.63 219.87 o
0 7 7 2.37 172.75 221.63 o
2 7 7 13.96 -37.35 168.80 o
4 7 7 0.48 113.03 144.00 o
1 8 7 5707.92 5255.42 166.67 o
0 0 8 19812.68 20100.21 397.62 o
2 0 8 42646.73 42710.51 298.96 o
4 0 8 5040.43 5265.82 245.06 o
6 0 8 4255.71 4295.17 246.95 o
8 0 8 90.24 235.64 245.14 o
1 1 8 12.09 52.46 163.74 o
3 1 8 3.14 42.76 154.20 o
5 1 8 15.51 -10.68 198.18 o
7 1 8 5.76 175.94 176.36 o
0 2 8 50409.15 50285.85 256.64 o
2 2 8 12826.29 13131.29 190.61 o
4 2 8 15364.35 15345.77 186.28 o
6 2 8 911.80 539.96 175.95 o
8 2 8 611.48 690.66 177.24 o
1 3 8 20.22 -149.06 150.83 o
3 3 8 0.28 200.62 149.65 o
5 3 8 19.39 -246.08 190.76 o
7 3 8 2.43 -141.11 180.54 o
0 4 8 11724.71 12175.85 251.83 o
2 4 8 23046.76 23116.22 223.98 o
4 4 8 3197.89 3396.59 180.34 o
6 4 8 2547.55 2590.19 209.63 o
1 5 8 58.80 89.73 144.28 o
3 5 8 67.07 278.51 144.37 o
5 5 8 2.82 134.84 171.35 o
0 6 8 14345.44 15022.14 225.97 o
2 6 8 4178.73 4149.66 160.91 o
4 6 8 4699.04 4612.60 175.66 o
1 7 8 19.71 174.92 147.64 o
3 7 8 3.23 95.26 202.51 o
0 8 8 3166.11 2705.70 224.17 o
1 0 9 21681.03 21965.01 255.43 o
3 0 9 13300.75 13323.62 244.26 o
5 0 9 2857.37 2970.61 209.87 o
7 0 9 881.61 387.79 232.31 o
0 1 9 1939.24 1977.18 192.14 o
2 1 9 347.22 486.25 155.36 o
4 1 9 744.49 688.18 141.12 o
6 1 9 56.26 208.94 155.06 o
1 2 9 22397.44 22373.49 211.63 o
3 2 9 10605.72 10781.65 163.26 o
5 2 9 4277.45 4359.92 170.53 o
7 2 9 422.85 442.22 180.71 o
0 3 9 512.29 368.40 247.93 o
2 3 9 764.19 859.58 170.40 o
4 3 9 201.04 369.27 153.07 o
6 3 9 144.78 109.68 177.11 o
1 4 9 14937.81 14999.37 174.24 o
3 4 9 9224.20 9115.75 168.10 o
5 4 9 2185.12 2015.29 187.10 o
0 5 9 180.22 169.48 219.09 o
2 5 9 484.02 613.32 134.82 o
4 5 9 83.95 105.43 152.83 o
6 5 9 83.70 165.35 173.92 o
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3 6 9 4067.18 3869.84 153.32 o
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0 7 9 191.01 91.33 221.43 o
2 7 9 84.75 131.67 153.45 o
0 0 10 10030.61 9906.97 262.10 o
2 0 10 11604.65 11894.99 224.48 o
4 0 10 2649.86 2669.77 192.99 o
6 0 10 978.93 1052.07 269.45 o
1 1 10 9.69 50.44 152.42 o
3 1 10 120.59 246.51 147.36 o
5 1 10 21.69 85.72 150.80 o
7 1 10 50.30 71.38 159.53 o
0 2 10 21624.64 21733.39 268.58 o
2 2 10 11145.03 11159.25 167.08 o
4 2 10 6686.58 6487.24 143.92 o
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1 3 10 47.60 -11.55 130.82 o
3 3 10 4.97 66.90 154.20 o
5 3 10 66.53 266.92 156.63 o
0 4 10 12810.78 12665.83 223.80 o
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4 4 10 3981.53 4022.48 147.25 o
6 4 10 1446.32 1165.61 177.45 o
1 5 10 1.38 370.56 149.37 o
3 5 10 28.30 223.60 133.90 o
5 5 10 18.36 -254.06 169.38 o
0 6 10 7770.75 7875.42 222.80 o
2 6 10 4271.65 4240.06 150.51 o
4 6 10 2452.83 2196.30 165.64 o
1 7 10 73.45 124.19 150.84 o
1 0 11 15498.69 16018.00 231.69 o
3 0 11 8403.98 8472.35 211.83 o
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7 0 11 469.43 342.16 238.91 o
0 1 11 131.85 511.14 182.74 o
2 1 11 2361.74 2485.16 150.16 o
4 1 11 57.49 101.68 149.44 o
6 1 11 429.79 294.80 171.59 o
1 2 11 12529.54 12536.57 149.02 o
3 2 11 6971.14 7086.39 157.21 o
5 2 11 2079.71 2135.80 146.32 o
0 3 11 1754.33 1816.08 215.15 o
2 3 11 158.14 499.99 144.78 o
4 3 11 718.44 820.24 150.92 o
6 3 11 32.92 346.83 182.64 o
1 4 11 8960.43 8803.12 312.00 o
3 4 11 4908.69 4898.65 156.04 o
5 4 11 1582.72 1675.74 170.75 o
0 5 11 482.74 739.03 207.98 o
2 5 11 264.38 184.96 146.15 o
4 5 11 237.26 293.37 163.52 o
1 6 11 5915.19 5903.57 172.51 o
3 6 11 3400.97 3215.09 268.88 o
0 0 12 21650.65 22091.55 457.37 o
2 0 12 10353.91 10235.16 254.57 o
4 0 12 7205.86 6820.77 207.02 o
6 0 12 1077.21 1060.06 224.37 o
1 1 12 4.90 48.47 135.02 o
3 1 12 16.20 37.97 141.16 o
5 1 12 30.87 152.30 141.06 o
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2 2 12 10275.87 10204.74 175.76 o
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3 5 12 64.97 202.62 139.06 o
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2 6 12 4844.66 4603.90 169.44 o
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3 0 13 4169.60 4477.71 285.83 o
5 0 13 1779.66 1624.31 204.31 o
0 1 13 385.81 459.88 187.26 o
2 1 13 37.54 124.14 134.85 o
4 1 13 169.06 183.36 142.58 o
1 2 13 7359.86 7570.04 171.97 o
3 2 13 4681.66 4416.30 142.15 o
5 2 13 1090.54 1182.71 153.03 o
0 3 13 65.45 179.26 193.85 o
2 3 13 174.96 460.41 130.18 o
4 3 13 24.19 19.32 145.78 o
1 4 13 5781.50 5567.91 147.09 o
3 4 13 2889.56 2813.35 138.61 o
0 5 13 4.93 -6.96 213.12 o
2 5 13 169.74 194.39 148.80 o
0 0 14 9502.50 10050.22 284.58 o
2 0 14 2500.02 2364.57 196.22 o
4 0 14 3177.08 2988.21 202.86 o
1 1 14 0.08 -70.91 116.49 o
3 1 14 0.58 -80.79 136.07 o
5 1 14 0.70 66.72 156.16 o
0 2 14 3105.79 3008.49 211.75 o
2 2 14 6356.11 6301.25 200.78 o
4 2 14 865.32 699.97 149.49 o
1 3 14 15.24 22.53 134.82 o
3 3 14 4.89 -33.57 143.37 o
0 4 14 6727.99 6050.82 224.61 o
2 4 14 2124.46 1766.02 192.47 o
1 0 15 4420.75 4385.15 166.40 o
3 0 15 2113.15 1576.28 213.77 o
0 1 15 2.96 -130.55 195.73 o
2 1 15 44.53 258.94 133.38 o
4 1 15 0.67 217.80 143.48 o
1 2 15 4161.62 4088.84 132.41 o
3 2 15 2713.70 2441.77 140.44 o
0 3 15 7.01 30.25 188.02 o
2 3 15 83.12 177.62 126.95 o
0 0 16 4198.90 3831.09 283.61 o
2 0 16 1480.77 1538.47 167.07 o
1 1 16 17.12 -36.82 130.15 o
0 2 16 2851.68 3059.04 197.75 o