#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2213482.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_2213482_Fobs
loop_
_publ_author_name
'Huang, Hai-Ping'
'Ma, Hong-Wei'
_publ_section_title
;
 (\m-3,5-Diphenylpyrazolato-\k^2^<i>N</i>:<i>N</i>')bis(2,2':6',2''-terpyridyl-\k^3^<i>N</i>)palladium(II)
 trinitrate
;
_journal_coeditor_code           NG2236
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1202
_journal_page_last               m1203
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 122.960
_cell_angle_gamma                90.000
_cell_length_a                   25.9170
_cell_length_b                   12.1910
_cell_length_c                   16.1160
_exptl_crystal_F_000             2176.00
_reflns_d_resolution_high        0.8107
_[local]_cod_data_source_file    ng2236Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            609.69
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
4 0 0 12481.41 14774.44 21.48 o
6 0 0 1195.27 1703.67 29.54 o
10 0 0 3571.71 1692.39 127.83 o
12 0 0 1721.84 1270.77 37.06 o
14 0 0 30337.22 31154.81 70.90 o
20 0 0 4089.44 4099.12 337.83 o
22 0 0 10584.69 10376.16 92.38 o
24 0 0 1792.16 1470.03 284.12 o
26 0 0 2427.88 1478.09 160.05 o
1 1 0 28936.50 999.41 788.80 o
3 1 0 2704.10 1966.10 16.92 o
5 1 0 166.34 222.89 100.97 o
7 1 0 6349.24 7469.40 216.45 o
9 1 0 590.55 1107.88 130.78 o
11 1 0 4572.62 4710.33 41.36 o
13 1 0 22.84 6.98 138.03 o
15 1 0 5662.88 5512.55 186.37 o
17 1 0 46.97 388.86 40.82 o
19 1 0 82.31 222.89 50.49 o
21 1 0 215.19 147.61 41.62 o
23 1 0 1083.25 1241.44 153.34 o
25 1 0 9.91 0.00 101.42 o
0 2 0 91618.92 68930.94 2852.52 o
2 2 0 20097.68 13455.34 331.93 o
4 2 0 1663.42 2206.78 32.44 o
6 2 0 23025.29 22097.20 117.11 o
8 2 0 29430.46 30398.04 1132.74 o
10 2 0 8101.41 8396.14 294.06 o
12 2 0 6805.03 7045.62 45.38 o
14 2 0 26173.56 23890.04 44.58 o
16 2 0 6157.99 5333.37 264.79 o
18 2 0 1500.69 1105.45 109.03 o
20 2 0 9546.01 10545.22 194.43 o
22 2 0 3924.31 3844.54 68.21 o
24 2 0 676.13 499.26 37.46 o
26 2 0 641.16 255.52 54.25 o
1 3 0 89844.38 97739.71 290.03 o
3 3 0 1867.27 1802.52 83.80 o
5 3 0 4981.50 5255.06 141.79 o
7 3 0 15854.35 14190.73 244.11 o
9 3 0 31110.69 30850.27 67.14 o
11 3 0 1176.28 1123.61 47.26 o
13 3 0 20248.15 22621.95 698.23 o
15 3 0 16848.37 16661.83 942.60 o
17 3 0 1405.81 1321.57 31.69 o
19 3 0 5553.76 5188.29 226.25 o
21 3 0 6009.99 5419.98 969.73 o
23 3 0 3140.24 2714.16 84.86 o
25 3 0 0.09 0.00 56.04 o
0 4 0 3703.97 4137.03 99.90 o
2 4 0 5282.39 5246.89 79.67 o
4 4 0 1779.40 540.04 40.00 o
6 4 0 5058.31 4160.39 62.84 o
8 4 0 11807.75 12295.75 484.46 o
10 4 0 5596.33 5455.83 843.78 o
12 4 0 59.51 16.30 57.68 o
14 4 0 82.48 372.21 59.08 o
16 4 0 3999.98 3053.93 330.85 o
18 4 0 600.23 307.49 44.77 o
20 4 0 3334.52 3473.35 184.76 o
22 4 0 373.59 548.72 100.13 o
24 4 0 264.14 151.65 65.38 o
1 5 0 39126.56 40013.67 86.47 o
3 5 0 2297.22 568.25 131.05 o
5 5 0 22275.23 23882.52 72.51 o
7 5 0 28415.92 26848.15 186.05 o
9 5 0 31552.70 31857.81 398.26 o
11 5 0 5.41 53.93 57.56 o
13 5 0 26559.14 28092.68 1043.85 o
15 5 0 34721.74 37375.48 78.59 o
17 5 0 110.24 0.00 90.23 o
19 5 0 8313.38 7136.14 661.43 o
21 5 0 4712.44 4899.37 342.67 o
23 5 0 4105.69 3391.11 643.44 o
25 5 0 22.69 0.00 78.42 o
0 6 0 18276.20 17924.76 426.99 o
2 6 0 2.31 23.74 55.23 o
4 6 0 1798.40 1397.38 48.97 o
6 6 0 243.43 289.36 71.97 o
8 6 0 3594.63 3668.53 43.37 o
10 6 0 2694.06 2447.37 75.61 o
12 6 0 3087.39 3807.97 58.27 o
14 6 0 2716.76 1999.40 461.90 o
16 6 0 0.69 52.80 82.71 o
18 6 0 157.47 468.35 72.51 o
20 6 0 124.42 355.56 159.52 o
22 6 0 168.75 217.59 61.43 o
24 6 0 22.16 0.00 87.01 o
1 7 0 70162.97 70245.74 737.77 o
3 7 0 1384.98 811.33 87.55 o
5 7 0 12947.19 11604.67 724.81 o
7 7 0 28611.61 27709.33 534.68 o
9 7 0 5070.91 4873.01 74.12 o
11 7 0 3447.69 3906.02 169.72 o
13 7 0 1537.17 2003.41 98.41 o
15 7 0 8506.52 8304.17 2065.40 o
17 7 0 310.96 190.31 87.14 o
19 7 0 1800.16 1454.46 196.04 o
21 7 0 6395.73 5360.76 109.57 o
23 7 0 2986.36 3145.34 103.80 o
0 8 0 38221.79 41622.28 73.58 o
2 8 0 8328.74 8109.56 56.93 o
4 8 0 71.08 117.92 66.06 o
6 8 0 12038.02 12519.80 194.97 o
8 8 0 13795.77 13022.84 112.15 o
10 8 0 31.06 96.72 78.68 o
12 8 0 78.71 0.00 87.83 o
14 8 0 2497.14 2216.06 81.64 o
16 8 0 3523.70 3967.19 348.31 o
18 8 0 100.49 0.00 54.37 o
20 8 0 2308.05 2948.12 93.45 o
22 8 0 3235.12 3686.09 98.83 o
1 9 0 1522.64 1682.30 64.95 o
3 9 0 20.50 240.68 124.07 o
5 9 0 1024.39 1272.08 63.07 o
7 9 0 213.99 474.63 122.70 o
9 9 0 301.46 545.30 68.75 o
11 9 0 768.96 1127.24 161.40 o
13 9 0 3467.40 2270.58 176.70 o
15 9 0 3115.85 2458.98 122.16 o
17 9 0 577.12 664.72 62.25 o
19 9 0 276.99 396.91 206.78 o
21 9 0 788.82 558.04 97.75 o
0 10 0 18648.48 20383.99 1038.74 o
2 10 0 4785.13 4867.50 231.22 o
4 10 0 1810.22 1877.33 54.05 o
6 10 0 9298.39 8357.66 644.25 o
8 10 0 15066.67 14820.33 272.58 o
10 10 0 1201.98 1248.28 110.10 o
12 10 0 7505.15 7960.50 108.36 o
14 10 0 9137.95 11038.44 136.42 o
16 10 0 3444.77 3655.87 146.30 o
18 10 0 303.35 399.53 125.14 o
20 10 0 3488.89 2737.58 276.60 o
1 11 0 65.56 140.66 67.92 o
3 11 0 377.75 549.16 83.12 o
5 11 0 1145.52 1321.52 137.77 o
7 11 0 1960.78 2079.54 127.84 o
9 11 0 0.37 72.94 42.16 o
11 11 0 213.69 109.63 124.34 o
13 11 0 547.03 644.67 140.72 o
15 11 0 623.84 800.10 95.07 o
17 11 0 57.67 0.00 81.17 o
0 12 0 8036.94 9788.43 72.78 o
2 12 0 4044.07 4098.51 106.20 o
4 12 0 48.35 150.16 55.32 o
6 12 0 6073.38 4897.78 785.77 o
8 12 0 8726.15 9055.69 614.44 o
10 12 0 1159.75 884.61 219.42 o
12 12 0 1660.48 2027.54 143.40 o
14 12 0 6014.57 6064.58 133.74 o
16 12 0 2499.57 1896.26 127.18 o
1 13 0 1800.35 2192.50 71.70 o
3 13 0 678.96 762.23 171.60 o
5 13 0 810.56 936.88 117.09 o
7 13 0 6251.00 5090.95 175.67 o
9 13 0 1948.44 1552.17 248.94 o
11 13 0 267.49 549.65 127.02 o
13 13 0 2250.94 2183.21 96.65 o
0 14 0 1287.04 1319.89 61.96 o
2 14 0 569.38 616.86 52.52 o
4 14 0 37.25 150.75 102.70 o
6 14 0 1296.43 1376.68 92.11 o
8 14 0 450.91 770.71 63.47 o
1 15 0 4837.56 5460.92 421.35 o
-27 1 1 1964.71 1169.27 208.92 o
-25 1 1 40.86 73.58 139.65 o
-23 1 1 5931.84 5701.11 183.68 o
-21 1 1 15412.68 16362.64 157.37 o
-19 1 1 4096.07 3627.55 48.34 o
-17 1 1 750.22 419.92 49.68 o
-15 1 1 14302.73 14935.53 199.80 o
-13 1 1 19664.88 20492.51 997.12 o
-11 1 1 273.76 200.34 56.93 o
-9 1 1 40289.01 43410.80 1300.31 o
-7 1 1 17675.08 13693.48 265.06 o
-5 1 1 67411.91 56296.82 523.13 o
-3 1 1 2097.65 1025.20 51.65 o
1 1 1 108412.32 101770.69 1094.61 o
3 1 1 4118.89 5171.79 246.80 o
7 1 1 33750.80 37662.31 664.39 o
9 1 1 38115.95 42759.89 2335.30 o
11 1 1 7889.27 9288.04 133.47 o
13 1 1 47361.35 47051.25 76.27 o
15 1 1 9978.11 9342.79 44.04 o
17 1 1 40.14 0.00 70.36 o
19 1 1 3701.95 3735.68 72.33 o
21 1 1 10914.57 10571.11 185.57 o
23 1 1 4148.05 3979.42 318.50 o
25 1 1 1.04 71.41 60.19 o
-26 2 1 260.75 268.57 83.20 o
-24 2 1 104.55 94.11 55.05 o
-22 2 1 4663.26 4386.47 573.62 o
-20 2 1 10464.31 10252.09 50.49 o
-18 2 1 0.76 21.62 77.61 o
-16 2 1 3992.37 4352.23 132.39 o
-14 2 1 8782.33 10428.84 172.68 o
-12 2 1 8472.40 9354.73 175.36 o
-10 2 1 8621.84 5881.13 432.36 o
-8 2 1 6636.90 6385.39 155.22 o
-6 2 1 1411.32 2492.80 82.44 o
-4 2 1 64382.72 64198.11 1398.87 o
-2 2 1 337.77 1789.60 18.26 o
0 2 1 961.66 1925.19 16.38 o
2 2 1 45055.23 37050.53 638.61 o
4 2 1 21662.65 21461.35 191.21 o
6 2 1 10436.54 6195.94 128.37 o
8 2 1 40266.56 42968.24 1313.20 o
10 2 1 5170.37 6275.43 44.04 o
12 2 1 2949.86 2864.89 266.67 o
14 2 1 9859.25 11107.13 1023.17 o
16 2 1 391.06 324.38 32.84 o
18 2 1 2559.59 2890.55 104.02 o
20 2 1 2852.68 2452.82 162.47 o
22 2 1 4148.35 3996.31 113.60 o
24 2 1 321.52 536.56 152.00 o
-27 3 1 472.02 587.20 206.24 o
-25 3 1 0.62 0.00 30.22 o
-23 3 1 1531.92 1202.43 91.57 o
-21 3 1 3940.02 3310.80 64.18 o
-19 3 1 661.11 701.98 93.45 o
-17 3 1 1307.61 1580.79 76.27 o
-15 3 1 10086.20 10596.91 63.38 o
-13 3 1 6661.20 6588.56 313.13 o
-11 3 1 140.19 516.80 39.10 o
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-7 3 1 42444.48 47161.09 663.52 o
-5 3 1 20864.08 25718.85 359.32 o
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-1 3 1 68389.23 78091.71 1946.44 o
1 3 1 1980.64 2306.57 43.47 o
3 3 1 22.53 165.43 112.79 o
5 3 1 11837.70 8227.59 214.84 o
7 3 1 4033.18 1683.57 16.11 o
9 3 1 2897.93 2778.94 100.97 o
11 3 1 549.69 609.60 47.80 o
13 3 1 13953.15 14735.28 49.68 o
15 3 1 13042.88 12737.40 76.54 o
17 3 1 2502.39 2880.98 131.59 o
19 3 1 381.12 299.70 30.61 o
21 3 1 2769.93 3083.68 219.46 o
23 3 1 765.29 759.74 133.47 o
25 3 1 24.45 0.00 90.23 o
-26 4 1 570.03 538.88 113.42 o
-24 4 1 924.54 906.08 183.15 o
-22 4 1 4389.65 3492.84 168.56 o
-20 4 1 8199.39 9065.22 347.77 o
-18 4 1 4.30 66.74 55.62 o
-16 4 1 15146.59 17760.43 106.61 o
-14 4 1 22846.92 25785.45 97.21 o
-12 4 1 20182.06 22052.24 350.72 o
-10 4 1 4865.19 6386.61 119.24 o
-8 4 1 37012.34 36163.11 283.57 o
-6 4 1 35469.56 29223.28 781.47 o
-4 4 1 52.18 166.50 48.88 o
-2 4 1 65257.11 57741.07 897.49 o
0 4 1 69041.49 65771.20 856.67 o
2 4 1 7838.08 11806.01 401.75 o
4 4 1 12205.25 13399.35 169.72 o
6 4 1 45832.48 49788.29 949.59 o
8 4 1 29981.77 30068.80 648.81 o
10 4 1 3085.96 2928.79 85.40 o
12 4 1 8545.63 9763.77 177.51 o
14 4 1 38860.34 40136.67 1564.56 o
16 4 1 8389.03 6967.82 110.91 o
18 4 1 14.74 0.00 66.60 o
20 4 1 4950.01 4162.72 302.65 o
22 4 1 7831.52 8235.97 773.42 o
24 4 1 204.37 280.22 50.89 o
-25 5 1 73.20 0.00 91.57 o
-23 5 1 60.45 118.70 106.08 o
-21 5 1 2748.45 2450.95 148.24 o
-19 5 1 968.42 810.78 83.64 o
-17 5 1 502.20 473.53 54.25 o
-15 5 1 430.35 924.61 63.77 o
-13 5 1 99.87 222.77 104.82 o
-11 5 1 2184.12 2495.23 84.20 o
-9 5 1 2718.37 3377.33 47.97 o
-7 5 1 441.68 289.44 37.23 o
-5 5 1 3591.14 5079.17 88.89 o
-3 5 1 2724.00 4146.28 42.61 o
-1 5 1 5627.11 4706.57 82.71 o
1 5 1 1989.40 2598.51 60.15 o
3 5 1 3144.86 4377.28 292.45 o
5 5 1 310.00 256.37 31.18 o
7 5 1 279.52 464.61 42.43 o
9 5 1 19.25 0.00 35.93 o
11 5 1 327.09 523.76 42.03 o
13 5 1 0.10 0.00 59.32 o
15 5 1 341.84 50.49 134.27 o
17 5 1 26.04 56.98 51.08 o
19 5 1 971.65 1393.76 177.24 o
21 5 1 282.65 406.94 96.14 o
23 5 1 8.03 0.00 103.93 o
-24 6 1 1142.42 1299.77 84.86 o
-22 6 1 7389.77 7255.44 1284.20 o
-20 6 1 10172.16 10375.22 1740.19 o
-18 6 1 1081.97 1103.48 187.18 o
-16 6 1 3470.05 2918.57 198.46 o
-14 6 1 20041.00 19995.32 296.75 o
-12 6 1 6713.77 6849.17 395.03 o
-10 6 1 4963.17 5686.57 88.52 o
-8 6 1 19862.26 20819.46 71.43 o
-6 6 1 41075.57 44217.09 666.27 o
-4 6 1 2086.80 2722.54 134.81 o
-2 6 1 26310.51 23707.96 346.96 o
0 6 1 57894.71 54874.04 223.11 o
2 6 1 26894.71 27145.57 386.95 o
4 6 1 1027.69 1214.16 61.77 o
6 6 1 24019.73 21959.92 243.04 o
8 6 1 14432.24 12805.16 527.70 o
10 6 1 3245.96 3162.42 184.22 o
12 6 1 21278.43 22004.46 383.75 o
14 6 1 28017.92 31467.87 1285.27 o
16 6 1 1310.13 1866.41 141.79 o
18 6 1 172.48 458.68 74.66 o
20 6 1 6447.36 6929.62 87.55 o
22 6 1 4646.46 4856.96 87.55 o
-23 7 1 687.37 1146.23 88.35 o
-21 7 1 2811.75 2693.54 96.68 o
-19 7 1 1397.04 1185.91 236.86 o
-17 7 1 1153.95 1264.38 203.56 o
-15 7 1 1287.31 648.71 127.42 o
-13 7 1 1913.94 1869.36 69.50 o
-11 7 1 652.22 931.01 54.57 o
-9 7 1 6252.37 5908.06 62.04 o
-7 7 1 4883.97 4438.58 51.83 o
-5 7 1 6339.20 5185.95 191.47 o
-3 7 1 3373.99 5346.24 37.59 o
-1 7 1 16511.34 19043.22 511.85 o
1 7 1 4194.30 6839.22 120.85 o
3 7 1 5384.63 6168.16 218.33 o
5 7 1 2941.59 3168.15 43.06 o
7 7 1 11715.22 10173.48 173.21 o
9 7 1 8.80 173.05 46.05 o
11 7 1 7241.43 8188.55 135.06 o
13 7 1 758.21 389.25 98.49 o
15 7 1 171.15 279.17 55.25 o
17 7 1 1774.97 2255.82 207.32 o
19 7 1 1474.59 1367.74 195.23 o
21 7 1 3829.25 3882.13 97.21 o
-22 8 1 3485.78 3377.62 99.08 o
-20 8 1 3049.80 1484.02 963.28 o
-18 8 1 104.27 8.09 37.60 o
-16 8 1 1950.34 1155.29 360.93 o
-14 8 1 2708.64 2528.27 159.25 o
-12 8 1 46.82 97.76 86.70 o
-10 8 1 4033.77 2900.60 195.21 o
-8 8 1 12953.23 12078.63 140.83 o
-6 8 1 13272.95 14804.36 158.18 o
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-2 8 1 4045.24 4580.78 55.23 o
0 8 1 42889.77 45108.57 527.97 o
2 8 1 6912.97 7567.01 210.27 o
4 8 1 752.78 772.88 42.97 o
6 8 1 7573.24 7244.64 113.52 o
8 8 1 5015.42 4686.08 138.57 o
12 8 1 2516.92 2807.90 172.68 o
14 8 1 7486.77 7851.64 327.36 o
16 8 1 1302.15 1642.44 79.49 o
18 8 1 98.59 0.00 64.62 o
20 8 1 1321.84 1092.99 89.70 o
-21 9 1 4821.45 4385.84 92.03 o
-19 9 1 715.41 715.95 74.66 o
-17 9 1 265.70 136.96 164.89 o
-15 9 1 5395.87 6215.94 143.67 o
-13 9 1 9292.39 11173.70 644.78 o
-11 9 1 2643.26 2364.19 205.71 o
-9 9 1 19209.86 17389.86 261.21 o
-7 9 1 23820.42 21737.17 257.54 o
-5 9 1 3746.71 2456.74 361.20 o
-3 9 1 1811.79 1486.02 76.63 o
-1 9 1 15033.20 13174.90 691.51 o
1 9 1 25082.51 24710.58 1029.08 o
3 9 1 2607.66 3010.42 139.11 o
5 9 1 3318.86 2848.69 105.11 o
7 9 1 9662.42 9602.44 226.65 o
9 9 1 7690.66 7803.97 405.78 o
11 9 1 532.28 777.81 71.34 o
13 9 1 11873.94 12078.88 522.59 o
15 9 1 5649.83 6185.10 1048.68 o
17 9 1 17.64 108.17 70.30 o
19 9 1 1535.54 1902.07 88.60 o
-20 10 1 5.41 0.00 105.81 o
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-16 10 1 6.66 0.00 73.69 o
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-12 10 1 42.37 171.87 92.38 o
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-8 10 1 562.39 547.12 111.48 o
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-2 10 1 230.27 145.55 109.57 o
0 10 1 297.51 696.08 184.22 o
2 10 1 102.43 55.29 61.02 o
4 10 1 268.46 127.76 58.56 o
6 10 1 615.06 539.37 69.74 o
8 10 1 1927.27 1209.79 248.41 o
10 10 1 43.63 71.18 125.75 o
12 10 1 129.58 252.88 56.70 o
14 10 1 325.70 350.69 123.26 o
16 10 1 83.50 0.00 220.48 o
18 10 1 5.78 32.38 69.91 o
-17 11 1 1447.72 1442.44 172.41 o
-15 11 1 3689.00 3884.05 656.06 o
-13 11 1 5221.82 5169.29 133.98 o
-11 11 1 172.03 62.55 84.80 o
-9 11 1 9746.87 11656.80 850.76 o
-7 11 1 18985.34 20031.63 697.99 o
-5 11 1 5804.34 6144.74 157.08 o
-3 11 1 56.04 147.30 72.34 o
-1 11 1 11111.32 11851.78 127.22 o
1 11 1 13865.57 12733.59 210.00 o
3 11 1 435.23 281.32 62.44 o
5 11 1 5586.72 6785.68 230.16 o
7 11 1 8044.46 8931.16 80.08 o
9 11 1 1798.22 2705.74 59.72 o
11 11 1 323.01 525.82 126.75 o
13 11 1 6028.37 6885.16 362.27 o
15 11 1 6568.81 5577.93 256.73 o
17 11 1 89.55 126.09 82.91 o
-16 12 1 269.39 345.72 99.84 o
-14 12 1 852.69 1432.44 152.80 o
-12 12 1 2040.03 2386.20 259.69 o
-10 12 1 0.66 17.05 78.28 o
-8 12 1 6067.74 4822.11 507.02 o
-6 12 1 1368.75 1194.20 74.63 o
-4 12 1 0.53 36.69 161.13 o
-2 12 1 36.58 90.84 92.65 o
0 12 1 561.23 759.12 57.64 o
2 12 1 346.67 672.42 82.44 o
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