#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:45:29 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181091 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/71/2217106.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_2217106_Fobs
loop_
_publ_author_name
'Almeida Paz, Filipe A.'
'Klinowski, Jacek'
_publ_section_title
;
 Poly[hexaaquabis(\m~3~-naphthalene-2,6-dicarboxylato)(\m~2~-naphthalene-2,6-dicarboxylato)diholmium(III)]
;
_journal_coeditor_code           HJ2008
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m140
_journal_page_last               m141
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.191
_cell_angle_beta                 74.224
_cell_angle_gamma                75.352
_cell_length_a                   7.8856
_cell_length_b                   9.6537
_cell_length_c                   12.5438
_exptl_crystal_F_000             524.00
_reflns_d_resolution_high        0.7683
_cod_data_source_file            hj2008Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     'I in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            204.06
_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, -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 0 0 6469.96 6362.00 153.07 o
3 0 0 6268.37 6512.31 198.68 o
4 0 0 9121.06 9536.21 218.73 o
5 0 0 1100.02 1173.24 89.22 o
6 0 0 3633.67 3738.55 192.50 o
7 0 0 1661.83 1703.65 170.69 o
8 0 0 316.26 379.88 115.60 o
9 0 0 655.36 522.59 252.77 o
-9 1 0 1234.01 1020.53 298.20 o
-8 1 0 635.31 707.27 173.33 o
-7 1 0 2530.92 2468.49 145.74 o
-6 1 0 158.59 200.00 60.75 o
-5 1 0 7651.87 7936.42 297.24 o
-4 1 0 60.57 59.85 28.61 o
-3 1 0 5816.31 5909.31 121.53 o
-2 1 0 311.73 359.13 22.02 o
-1 1 0 1176.89 1076.76 56.93 o
2 1 0 6083.43 6093.76 175.21 o
3 1 0 4796.70 4897.14 122.89 o
4 1 0 6836.20 7397.32 169.19 o
5 1 0 897.03 829.30 52.23 o
6 1 0 5504.48 5412.17 260.37 o
7 1 0 1002.11 854.01 136.40 o
8 1 0 1570.82 1687.18 263.70 o
9 1 0 204.04 511.79 220.66 o
-9 2 0 235.17 0.00 221.34 o
-8 2 0 1579.03 1776.62 243.89 o
-7 2 0 79.70 42.74 88.12 o
-6 2 0 3233.12 3376.11 146.40 o
-5 2 0 393.43 359.58 37.31 o
-4 2 0 6750.65 7128.43 173.05 o
-3 2 0 457.74 631.18 65.87 o
-2 2 0 1614.12 1515.05 44.21 o
-1 2 0 2176.80 2238.71 66.09 o
0 2 0 10956.55 9805.31 297.80 o
1 2 0 4471.44 4266.36 104.22 o
2 2 0 7018.81 6826.15 166.88 o
3 2 0 2791.32 2715.98 73.79 o
4 2 0 5400.27 5676.14 130.79 o
5 2 0 3392.10 3311.84 98.65 o
6 2 0 958.36 972.98 68.06 o
7 2 0 4640.71 5282.94 181.73 o
8 2 0 25.96 196.00 142.23 o
9 2 0 1104.85 904.06 183.77 o
-8 3 0 122.32 32.24 223.05 o
-7 3 0 2443.83 2672.87 218.47 o
-6 3 0 333.36 298.16 47.41 o
-5 3 0 5052.60 5227.11 202.65 o
-4 3 0 1185.99 1284.84 79.19 o
-3 3 0 4903.84 5062.43 161.83 o
-2 3 0 2870.03 2880.06 90.38 o
-1 3 0 5532.42 5298.99 152.38 o
0 3 0 2494.28 2265.39 82.95 o
1 3 0 795.87 737.99 42.39 o
2 3 0 4918.86 4404.37 127.42 o
3 3 0 6717.12 6907.21 167.46 o
4 3 0 3607.64 3732.97 126.52 o
5 3 0 167.32 223.96 57.75 o
6 3 0 6246.94 6344.57 208.56 o
7 3 0 25.90 17.34 73.95 o
8 3 0 2708.23 2450.24 290.34 o
9 3 0 36.35 247.62 189.01 o
-8 4 0 1034.56 909.29 359.34 o
-7 4 0 47.28 6.64 123.20 o
-6 4 0 2935.09 3087.18 170.69 o
-5 4 0 583.46 595.82 95.91 o
-4 4 0 4289.35 4534.25 158.07 o
-3 4 0 4044.72 4052.45 113.39 o
-2 4 0 5651.70 5721.16 170.36 o
-1 4 0 6295.06 6126.94 175.99 o
0 4 0 422.18 406.47 27.51 o
1 4 0 20036.84 18688.21 580.29 o
2 4 0 24.39 18.15 28.51 o
3 4 0 8166.99 8067.86 201.21 o
4 4 0 4.94 8.89 37.37 o
5 4 0 3927.06 4053.99 153.56 o
6 4 0 8.57 -31.30 44.25 o
7 4 0 4115.33 4143.81 292.69 o
8 4 0 388.86 570.13 135.95 o
9 4 0 1242.07 1023.79 197.13 o
-8 5 0 99.52 233.64 242.52 o
-7 5 0 620.30 657.92 192.88 o
-6 5 0 1023.00 1129.86 208.67 o
-5 5 0 1399.87 1672.83 160.98 o
-4 5 0 1778.89 1712.11 131.58 o
-3 5 0 1368.42 1474.02 133.60 o
-2 5 0 5774.77 5742.98 197.92 o
-1 5 0 1760.91 1802.37 75.31 o
0 5 0 7126.56 6710.79 198.27 o
1 5 0 209.35 223.17 114.43 o
2 5 0 7819.93 8034.11 209.84 o
3 5 0 1.58 -26.60 26.60 o
4 5 0 5592.38 5603.01 185.84 o
5 5 0 1569.43 1588.74 112.98 o
6 5 0 867.20 823.91 84.07 o
7 5 0 333.68 651.73 185.13 o
8 5 0 901.78 948.90 254.82 o
9 5 0 281.40 157.81 245.25 o
-7 6 0 893.93 1048.52 236.48 o
-6 6 0 675.73 785.01 345.33 o
-5 6 0 1276.32 1551.65 163.96 o
-4 6 0 394.77 370.86 86.29 o
-3 6 0 5349.05 5645.44 198.33 o
-2 6 0 3035.89 2938.49 135.38 o
-1 6 0 3956.63 3929.23 130.70 o
0 6 0 121.73 141.54 32.02 o
1 6 0 6375.59 6404.03 346.23 o
2 6 0 141.76 109.47 43.16 o
3 6 0 5563.74 5746.76 221.26 o
4 6 0 964.64 933.85 98.80 o
5 6 0 4452.22 4840.47 146.89 o
6 6 0 2358.13 2172.60 151.47 o
7 6 0 487.55 419.07 125.67 o
8 6 0 1513.51 1735.21 228.17 o
9 6 0 444.21 271.21 271.21 o
-6 7 0 1446.43 1712.10 223.85 o
-5 7 0 19.55 159.30 210.75 o
-4 7 0 1522.38 1337.66 253.78 o
-3 7 0 900.41 822.88 155.95 o
-2 7 0 5133.53 5475.12 492.00 o
-1 7 0 11.77 -21.38 43.89 o
0 7 0 5616.20 5888.74 215.05 o
1 7 0 1269.92 1286.90 86.53 o
2 7 0 3308.86 3283.18 186.61 o
3 7 0 1554.99 1476.10 122.09 o
4 7 0 5031.95 5602.48 255.88 o
5 7 0 1135.44 1167.76 83.39 o
6 7 0 1170.63 1161.45 82.39 o
7 7 0 1522.61 1601.31 254.13 o
8 7 0 43.36 35.01 102.92 o
9 7 0 805.01 1037.71 366.17 o
-5 8 0 1379.43 1504.85 198.65 o
-4 8 0 10.63 103.66 118.13 o
-3 8 0 1908.61 1720.77 275.69 o
-2 8 0 824.18 755.97 85.80 o
-1 8 0 2738.08 2661.73 141.91 o
0 8 0 1002.46 904.06 235.35 o
1 8 0 1154.77 1076.20 95.48 o
2 8 0 933.69 979.10 86.03 o
3 8 0 719.60 721.73 178.30 o
4 8 0 3694.74 3833.14 308.36 o
5 8 0 1189.97 1187.58 136.63 o
6 8 0 2763.97 2809.02 250.72 o
7 8 0 51.86 -104.93 104.93 o
8 8 0 2089.89 2231.18 366.17 o
-5 9 0 155.50 53.97 206.31 o
-4 9 0 1109.28 1206.28 186.07 o
-3 9 0 502.71 587.93 113.12 o
-2 9 0 824.02 894.65 113.63 o
-1 9 0 2433.74 2615.94 215.80 o
0 9 0 1475.52 1270.18 154.13 o
1 9 0 2119.96 2100.29 177.66 o
2 9 0 86.67 77.27 114.09 o
3 9 0 2076.38 2604.18 236.37 o
4 9 0 111.25 241.15 116.14 o
5 9 0 1434.60 1718.86 285.22 o
6 9 0 25.54 20.30 114.11 o
7 9 0 998.81 1211.23 226.81 o
-3 10 0 606.63 314.25 206.31 o
-2 10 0 807.73 765.81 198.11 o
-1 10 0 644.53 470.01 262.33 o
0 10 0 2075.09 2143.73 308.78 o
1 10 0 207.70 127.75 200.85 o
2 10 0 1285.38 1120.37 218.61 o
3 10 0 12.34 0.00 108.62 o
4 10 0 1796.99 1841.10 250.72 o
5 10 0 44.63 69.24 133.26 o
6 10 0 1399.79 1289.08 355.58 o
7 10 0 93.19 130.48 139.36 o
-2 11 0 125.88 -207.00 251.40 o
-1 11 0 1057.69 612.79 261.65 o
0 11 0 63.49 36.21 181.04 o
1 11 0 1754.98 1486.54 308.10 o
2 11 0 0.13 63.53 144.83 o
3 11 0 1612.23 1359.47 243.20 o
4 11 0 180.64 203.43 123.26 o
5 11 0 979.51 1065.81 197.52 o
1 12 0 59.22 -72.41 270.53 o
2 12 0 1185.79 989.89 360.02 o
3 12 0 37.49 429.70 224.07 o
-5 -11 1 1186.07 979.03 197.62 o
-4 -11 1 167.01 137.96 137.55 o
-3 -11 1 1588.69 1931.95 304.00 o
-2 -11 1 0.29 17.76 207.00 o
-1 -11 1 1845.16 1661.43 325.18 o
0 -11 1 219.09 36.21 234.32 o
1 -11 1 939.42 917.47 296.49 o
2 -11 1 63.47 314.25 188.55 o
-6 -10 1 1237.40 1405.46 353.19 o
-5 -10 1 75.93 170.83 136.22 o
-4 -10 1 1783.61 1710.99 183.71 o
-3 -10 1 13.76 -53.97 161.91 o
-2 -10 1 1678.77 2175.84 263.01 o
-1 -10 1 216.35 690.67 217.93 o
0 -10 1 1959.73 2120.50 280.78 o
1 -10 1 1066.22 460.44 216.56 o
2 -10 1 553.69 512.36 188.55 o
3 -10 1 530.10 368.22 224.07 o
-7 -9 1 1134.95 1444.87 269.85 o
-6 -9 1 83.94 53.98 126.20 o
-5 -9 1 1051.02 1166.77 135.85 o
-4 -9 1 109.26 139.42 241.84 o
-3 -9 1 1956.78 2226.39 181.04 o
-2 -9 1 81.40 58.47 116.82 o
-1 -9 1 2210.64 2037.89 383.59 o
0 -9 1 1505.60 1298.87 302.98 o
1 -9 1 2073.80 1819.92 235.69 o
2 -9 1 1117.30 1180.49 198.11 o
3 -9 1 575.16 493.92 224.76 o
4 -9 1 1207.63 1148.38 233.64 o
-8 -8 1 1889.88 1825.83 214.63 o
-7 -8 1 49.94 191.35 110.77 o
-6 -8 1 1736.43 1744.42 182.53 o
-5 -8 1 904.04 965.78 91.19 o
-4 -8 1 2653.54 2644.33 143.80 o
-3 -8 1 910.32 626.14 135.26 o
-2 -8 1 1343.59 1053.26 107.39 o
-1 -8 1 1283.51 1210.23 119.24 o
0 -8 1 1306.14 1151.03 165.35 o
1 -8 1 2959.87 2705.01 177.97 o
2 -8 1 491.97 488.37 244.57 o
3 -8 1 1895.04 2093.19 207.57 o
4 -8 1 12.62 -58.24 121.84 o
5 -8 1 1874.97 2202.09 255.68 o
-8 -7 1 58.96 157.13 227.49 o
-7 -7 1 2990.89 2947.12 263.01 o
-6 -7 1 998.13 1078.79 107.64 o
-5 -7 1 1203.89 1224.67 90.02 o
-4 -7 1 2967.83 3069.16 110.24 o
-3 -7 1 1154.38 1241.36 93.20 o
-2 -7 1 2665.57 2660.04 109.76 o
-1 -7 1 167.92 272.95 80.44 o
0 -7 1 5737.02 5919.57 228.54 o
1 -7 1 15.12 102.26 45.71 o
2 -7 1 2866.64 2967.47 254.65 o
3 -7 1 36.73 -33.60 61.48 o
4 -7 1 2126.54 2220.31 170.90 o
5 -7 1 4.79 2.85 93.96 o
6 -7 1 1522.41 1400.32 239.99 o
-9 -6 1 425.36 122.28 174.89 o
-8 -6 1 1061.61 1033.61 263.01 o
-7 -6 1 1510.42 1659.04 175.57 o
-6 -6 1 1082.89 1071.24 87.24 o
-5 -6 1 4559.76 4484.50 149.66 o
-4 -6 1 1641.77 1523.92 86.98 o
-3 -6 1 6559.23 6809.90 192.07 o
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-1 -6 1 4772.75 4452.01 262.92 o
0 -6 1 201.94 333.26 55.72 o
1 -6 1 2455.77 2586.72 132.71 o
2 -6 1 178.19 138.25 48.51 o
3 -6 1 1950.22 1938.94 121.05 o
4 -6 1 20.22 72.96 94.65 o
5 -6 1 324.47 568.57 135.58 o
6 -6 1 261.66 173.36 152.34 o
7 -6 1 1240.04 1353.36 252.41 o
-9 -5 1 290.72 580.80 183.43 o
-8 -5 1 263.22 468.96 131.40 o
-7 -5 1 985.07 907.16 530.13 o
-6 -5 1 2434.49 2414.54 148.20 o
-5 -5 1 174.16 248.83 44.18 o
-4 -5 1 2233.49 2407.29 76.75 o
-3 -5 1 49.44 48.50 38.19 o
-2 -5 1 7954.85 7982.31 245.95 o
-1 -5 1 1528.99 1368.01 118.75 o
0 -5 1 14417.27 13697.96 541.61 o
1 -5 1 2734.43 2692.79 94.67 o
2 -5 1 5661.35 5928.00 185.00 o
3 -5 1 1964.85 1762.17 108.22 o
4 -5 1 7808.55 8228.98 328.44 o
5 -5 1 199.04 96.23 82.42 o
6 -5 1 472.47 369.75 92.73 o
7 -5 1 1148.64 1224.02 202.11 o
8 -5 1 781.58 790.98 203.54 o
-9 -4 1 1328.41 925.91 201.37 o
-8 -4 1 215.79 202.21 149.61 o
-7 -4 1 2102.57 2218.97 292.05 o
-6 -4 1 182.73 150.32 52.95 o
-5 -4 1 6593.64 7003.75 224.57 o
-4 -4 1 0.33 26.65 29.40 o
-3 -4 1 8772.06 8834.90 232.78 o
-2 -4 1 884.66 876.09 38.48 o
-1 -4 1 14132.27 13630.85 313.10 o
0 -4 1 843.85 799.95 50.78 o
1 -4 1 9254.31 8140.08 525.17 o
2 -4 1 5441.34 5500.03 157.01 o
3 -4 1 3373.55 3481.57 138.04 o
4 -4 1 8394.03 8905.09 269.78 o
5 -4 1 907.60 751.40 116.08 o
6 -4 1 2459.02 2582.73 158.05 o
7 -4 1 3.68 55.29 110.08 o
8 -4 1 1450.90 1541.39 194.73 o
-9 -3 1 83.26 179.28 121.97 o
-8 -3 1 2717.49 2706.56 258.87 o
-7 -3 1 144.91 119.31 53.98 o
-6 -3 1 4665.24 4699.93 166.53 o
-5 -3 1 174.28 194.70 52.19 o
-4 -3 1 3787.38 3908.95 257.64 o
-3 -3 1 3108.97 3176.84 73.97 o
-2 -3 1 6528.73 6066.52 139.47 o
-1 -3 1 2409.67 2307.26 76.59 o
0 -3 1 5894.51 5487.91 249.62 o
1 -3 1 7939.31 7567.98 236.95 o
2 -3 1 1355.18 1435.47 88.74 o
3 -3 1 6811.85 7243.82 191.33 o
4 -3 1 1351.93 1288.68 109.06 o
5 -3 1 6363.90 6505.47 233.59 o
6 -3 1 63.20 -18.13 66.95 o
7 -3 1 2111.29 2524.92 387.01 o
8 -3 1 65.12 249.35 267.11 o
-9 -2 1 1116.48 974.23 370.27 o
-8 -2 1 19.52 -39.98 134.92 o
-7 -2 1 4229.12 4355.17 229.93 o
-6 -2 1 1385.74 1338.63 66.66 o
-5 -2 1 2978.94 3124.49 122.95 o
-4 -2 1 4466.99 4639.57 131.05 o
-3 -2 1 3517.86 3458.73 100.14 o
-2 -2 1 10598.59 10754.22 228.63 o
-1 -2 1 999.70 1041.55 36.63 o
0 -2 1 9752.00 9029.96 211.57 o
1 -2 1 536.89 634.28 32.15 o
2 -2 1 2235.81 2057.82 72.55 o
3 -2 1 1284.53 1385.73 125.51 o
4 -2 1 7243.09 7680.78 173.28 o
5 -2 1 58.47 42.10 30.85 o
6 -2 1 3773.89 3930.27 178.40 o
7 -2 1 76.88 169.84 96.78 o
8 -2 1 1327.68 1335.08 199.00 o
9 -2 1 215.35 20.20 304.34 o
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-8 -1 1 1214.65 1243.99 180.42 o
-7 -1 1 940.54 1001.39 94.70 o
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-5 -1 1 1667.33 1779.70 97.34 o
-4 -1 1 4686.79 5041.02 152.83 o
-3 -1 1 7606.47 7680.16 181.45 o
-2 -1 1 5060.23 5153.22 127.56 o
-1 -1 1 12720.54 10871.06 584.90 o
1 -1 1 10533.06 10149.83 282.63 o
2 -1 1 32.15 73.72 33.53 o
3 -1 1 4090.50 3971.58 97.85 o
4 -1 1 441.08 401.28 34.91 o
5 -1 1 7358.81 7638.92 270.72 o
6 -1 1 63.32 91.88 46.87 o
7 -1 1 2931.35 3057.24 196.74 o
8 -1 1 762.47 639.29 164.25 o
9 -1 1 1083.26 1182.94 216.16 o
-9 0 1 1098.90 1170.27 196.22 o
-8 0 1 551.42 479.83 101.81 o
-7 0 1 2459.90 2383.27 158.11 o
-6 0 1 2012.70 2150.15 131.82 o
-5 0 1 977.14 890.00 72.12 o
-4 0 1 3973.71 3741.83 102.47 o
-3 0 1 1746.32 1663.69 59.75 o
-2 0 1 18661.69 18416.54 431.66 o
-1 0 1 200.49 162.85 59.20 o
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3 0 1 1222.47 1264.88 72.65 o
4 0 1 10706.96 10662.89 258.41 o
5 0 1 4085.12 4170.67 152.64 o
6 0 1 1838.88 1828.07 238.43 o
7 0 1 1199.72 1348.73 148.72 o
8 0 1 659.46 551.00 188.21 o
9 0 1 631.84 565.03 199.82 o
-9 1 1 949.18 639.14 209.26 o
-8 1 1 537.73 598.60 172.15 o
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-5 1 1 5582.07 5932.35 184.46 o
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-3 1 1 4301.87 4409.82 102.31 o
-2 1 1 2481.93 2597.51 68.40 o
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2 1 1 589.13 676.85 26.62 o
3 1 1 1775.70 1724.05 46.47 o
4 1 1 4487.42 4566.58 101.34 o
5 1 1 3614.83 3708.38 103.81 o
6 1 1 3710.63 3662.57 151.88 o
7 1 1 409.20 395.59 83.58 o
8 1 1 1828.29 2119.37 371.63 o
9 1 1 77.08 213.70 172.50 o
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-7 2 1 407.58 475.95 139.09 o
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-2 2 1 2557.08 2346.54 64.95 o
-1 2 1 40.49 71.28 30.27 o
0 2 1 19186.36 16316.33 435.24 o
1 2 1 29008.50 27055.49 816.88 o
2 2 1 24692.19 25019.91 760.10 o
3 2 1 2174.49 1995.39 106.00 o
4 2 1 3533.84 3647.91 99.84 o
5 2 1 8454.06 9063.90 205.32 o
6 2 1 1006.57 981.89 57.29 o
7 2 1 3954.07 4083.73 139.33 o
8 2 1 212.16 253.19 109.36 o
9 2 1 721.53 899.90 281.80 o
-8 3 1 0.48 -22.22 159.33 o
-7 3 1 2101.02 1967.19 216.76 o
-6 3 1 291.95 419.16 136.06 o
-5 3 1 3720.83 3704.19 176.11 o
-4 3 1 562.28 580.90 62.19 o
-3 3 1 6877.20 7172.53 191.25 o
-2 3 1 5482.10 5206.69 124.05 o
-1 3 1 6937.76 6283.95 184.44 o
0 3 1 3212.37 2896.99 78.47 o
1 3 1 408.17 377.20 33.52 o
2 3 1 7847.53 7756.93 216.14 o
3 3 1 8509.10 8876.19 266.33 o
4 3 1 2589.53 2724.42 100.87 o
5 3 1 22.42 8.93 41.46 o
6 3 1 6234.24 6320.72 223.73 o
7 3 1 9.50 -29.98 62.40 o
8 3 1 3526.59 3361.79 336.11 o
9 3 1 61.66 -137.00 150.52 o
10 3 1 1517.66 1459.21 307.42 o
-8 4 1 1139.56 1139.19 214.69 o
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-6 4 1 2935.86 2792.49 215.13 o
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-4 4 1 3012.20 3324.11 159.31 o
-3 4 1 4088.70 4130.15 119.89 o
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