#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/57/2015734.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_2015734_Fobs
loop_
_publ_author_name
'Lees, Rachel J. E.'
'Powell, Anthony V.'
'Watkin, David J.'
'Chippindale, Ann M.'
_publ_section_title
;
 1,4,8,11-Tetraazacyclotetradecane antimony(III) sulfide
;
_journal_coeditor_code           GA3032
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m27
_journal_page_last               m29
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             06-08-23
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 105.878(4)
_cell_angle_gamma                90
_cell_length_a                   9.4872(9)
_cell_length_b                   15.4477(14)
_cell_length_c                   10.7567(9)
_[local]_cod_data_source_file    ga3032Isup2.hkl
_[local]_cod_data_source_block   I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_calc
_refln_F_squared_sigma
_refln_observed_status
1 0 0 1981.14 0.00 71.22 x
2 0 0 9512.10 11248.67 388.17 x
3 0 0 621.01 662.19 26.91 o
4 0 0 4075.55 3914.99 164.71 o
5 0 0 3962.70 3985.84 161.15 o
6 0 0 6760.13 6496.94 272.97 o
7 0 0 2976.79 2957.75 120.03 o
8 0 0 954.81 885.74 40.17 o
9 0 0 63.20 70.30 4.77 o
10 0 0 20.34 18.84 3.34 o
11 0 0 105.68 113.20 6.99 o
12 0 0 150.55 169.53 9.57 o
13 0 0 113.00 120.74 8.50 o
1 1 0 4.62 0.00 0.52 x
2 1 0 3.42 2.22 0.70 o
3 1 0 9.00 6.56 1.20 o
4 1 0 27.46 22.53 2.31 o
5 1 0 63.84 64.91 4.15 o
6 1 0 94.87 74.26 5.65 o
7 1 0 5.81 4.41 2.31 <
8 1 0 14.36 17.88 2.80 o
9 1 0 22.85 17.69 3.15 o
10 1 0 8.29 0.02 2.88 <
11 1 0 55.95 36.75 5.54 o
12 1 0 22.18 13.13 4.62 o
0 2 0 8.58 0.00 0.82 x
1 2 0 11.97 0.00 1.18 x
2 2 0 85.56 60.97 4.44 o
3 2 0 18.15 10.32 1.79 o
4 2 0 18.23 11.91 1.96 o
5 2 0 48.44 43.18 3.48 o
6 2 0 30.80 5.34 3.11 o
7 2 0 76.21 80.03 5.24 o
8 2 0 120.56 107.53 7.25 o
9 2 0 18.23 21.18 3.07 o
10 2 0 4.04 4.82 2.65 <
11 2 0 9.80 2.79 3.69 <
12 2 0 15.29 7.68 4.38 o
1 3 0 3.50 0.51 0.64 o
2 3 0 49.84 46.23 2.68 o
3 3 0 408.44 379.23 17.38 o
4 3 0 495.51 448.60 21.37 o
5 3 0 319.69 299.77 14.30 o
6 3 0 120.12 97.17 6.80 o
7 3 0 133.86 134.80 7.64 o
8 3 0 253.76 259.66 12.11 o
9 3 0 487.97 498.24 20.32 o
10 3 0 299.29 323.71 14.19 o
11 3 0 167.70 147.76 10.10 o
12 3 0 28.62 19.42 4.81 o
0 4 0 3768.73 4506.56 153.48 o
1 4 0 2632.72 2833.04 106.72 o
2 4 0 5146.63 5511.33 208.05 o
3 4 0 3597.60 3544.86 146.35 o
4 4 0 3005.23 2929.67 123.89 o
5 4 0 1175.12 1112.80 49.36 o
6 4 0 885.06 858.35 37.49 o
7 4 0 501.76 471.38 21.95 o
8 4 0 484.88 433.94 21.58 o
9 4 0 222.31 168.90 11.03 o
10 4 0 109.62 62.38 7.12 o
11 4 0 24.50 8.83 4.16 o
12 4 0 8.88 5.58 3.99 <
1 5 0 730.62 722.85 30.27 o
2 5 0 777.29 732.72 32.34 o
3 5 0 6.15 3.56 1.24 o
4 5 0 302.06 274.56 13.56 o
5 5 0 372.10 388.50 16.59 o
6 5 0 7.67 4.52 2.11 o
7 5 0 123.88 107.58 7.12 o
8 5 0 202.21 223.19 9.95 o
9 5 0 37.45 30.94 4.04 o
10 5 0 2.34 0.73 2.88 <
11 5 0 9.80 12.93 3.51 <
12 5 0 1.93 2.18 3.75 <
0 6 0 257.92 262.54 11.24 o
1 6 0 1.04 0.04 0.96 <
2 6 0 8.76 0.74 1.30 o
3 6 0 275.56 263.57 12.28 o
4 6 0 154.01 147.60 7.69 o
5 6 0 58.83 55.32 4.14 o
6 6 0 14.06 9.90 2.48 o
7 6 0 12.60 12.45 2.70 o
8 6 0 13.62 14.55 2.80 o
9 6 0 205.35 200.10 10.32 o
10 6 0 318.62 324.99 14.64 o
11 6 0 152.28 150.10 9.13 o
12 6 0 16.16 19.39 4.66 o
1 7 0 218.74 200.57 10.06 o
2 7 0 111.09 119.80 5.48 o
3 7 0 442.68 418.53 18.94 o
4 7 0 158.51 151.32 7.81 o
5 7 0 890.43 860.84 37.60 o
6 7 0 771.17 748.19 32.77 o
7 7 0 1338.83 1289.15 54.15 o
8 7 0 500.42 526.67 21.48 o
9 7 0 488.41 484.61 20.33 o
10 7 0 225.60 246.67 11.42 o
11 7 0 461.39 436.13 20.62 o
12 7 0 364.43 388.72 17.18 o
0 8 0 357.97 369.23 15.51 o
1 8 0 12.18 8.69 1.61 o
2 8 0 12.11 10.30 1.67 o
3 8 0 74.65 72.71 4.49 o
4 8 0 27.56 11.21 2.73 o
5 8 0 24.50 5.21 2.97 o
6 8 0 39.56 25.70 3.77 o
7 8 0 49.98 63.28 4.24 o
8 8 0 124.77 126.61 7.60 o
9 8 0 186.87 197.12 9.84 o
10 8 0 70.39 48.48 6.21 o
11 8 0 25.30 27.01 4.63 o
12 8 0 25.20 27.23 5.32 o
1 9 0 64.00 65.78 3.84 o
2 9 0 132.48 135.31 6.68 o
3 9 0 22.75 23.16 2.48 o
4 9 0 13.40 11.44 2.27 o
5 9 0 3.13 2.07 2.16 <
6 9 0 62.25 57.05 4.89 o
7 9 0 66.26 60.57 4.88 o
8 9 0 78.68 75.63 5.50 o
9 9 0 29.05 30.61 3.88 o
10 9 0 28.94 23.21 4.41 o
11 9 0 11.56 14.82 4.15 <
0 10 0 3.88 0.90 1.46 <
1 10 0 26.42 16.69 2.57 o
2 10 0 123.21 131.78 6.66 o
3 10 0 241.18 221.40 11.18 o
4 10 0 117.29 122.91 6.71 o
5 10 0 23.81 19.48 3.03 o
6 10 0 9.80 11.51 2.38 o
7 10 0 27.35 22.05 3.35 o
8 10 0 77.62 80.18 5.46 o
9 10 0 56.10 55.56 5.09 o
10 10 0 46.24 48.17 5.03 o
11 10 0 21.16 22.17 4.60 o
1 11 0 59.44 54.03 4.16 o
2 11 0 125.44 132.55 6.72 o
3 11 0 345.59 329.46 15.62 o
4 11 0 250.59 257.07 12.03 o
5 11 0 355.70 331.01 15.84 o
6 11 0 249.32 257.83 12.00 o
7 11 0 520.30 499.01 21.44 o
8 11 0 514.84 523.65 21.78 o
9 11 0 637.06 596.74 26.75 o
10 11 0 272.25 302.21 13.20 o
11 11 0 197.96 188.87 11.26 o
0 12 0 537.78 527.68 23.19 o
1 12 0 548.50 553.39 23.89 o
2 12 0 247.75 233.94 11.65 o
3 12 0 296.53 302.36 13.78 o
4 12 0 381.42 361.50 17.19 o
5 12 0 643.64 660.19 26.89 o
6 12 0 558.38 540.11 23.63 o
7 12 0 382.20 377.41 16.81 o
8 12 0 201.64 193.42 10.51 o
9 12 0 217.86 205.85 11.51 o
10 12 0 284.60 293.18 14.17 o
1 13 0 3.96 1.14 2.03 <
2 13 0 28.84 21.75 3.11 o
3 13 0 152.77 148.06 8.16 o
4 13 0 237.78 220.84 11.41 o
5 13 0 242.74 227.64 11.53 o
6 13 0 105.47 119.20 6.37 o
7 13 0 147.87 133.21 8.27 o
8 13 0 161.04 173.77 9.14 o
9 13 0 289.68 280.33 14.30 o
10 13 0 204.78 224.04 11.45 o
0 14 0 181.17 181.57 9.15 o
1 14 0 81.36 78.51 5.23 o
2 14 0 98.21 101.02 6.14 o
3 14 0 38.56 32.10 3.73 o
4 14 0 54.91 51.81 4.45 o
5 14 0 24.11 24.22 3.34 o
6 14 0 27.67 21.66 3.68 o
7 14 0 13.99 10.19 3.22 o
8 14 0 9.80 8.19 3.63 <
9 14 0 15.13 8.63 4.20 o
10 14 0 1.30 0.61 3.47 <
1 15 0 24.11 24.22 3.04 o
2 15 0 42.12 35.77 3.89 o
3 15 0 44.89 47.65 3.89 o
4 15 0 26.21 23.02 3.38 o
5 15 0 57.30 59.27 4.84 o
6 15 0 53.88 52.73 4.99 o
7 15 0 94.67 96.93 6.81 o
8 15 0 43.30 46.60 5.13 o
9 15 0 61.47 62.67 6.43 o
0 16 0 1.72 0.34 2.44 <
1 16 0 11.90 13.40 2.69 o
2 16 0 113.85 104.27 6.62 o
3 16 0 196.00 191.13 9.80 o
4 16 0 128.82 124.43 7.49 o
5 16 0 51.12 53.34 4.72 o
6 16 0 29.05 23.19 4.20 o
7 16 0 78.15 81.11 6.36 o
8 16 0 160.28 152.43 9.62 o
1 17 0 6.15 0.10 2.48 <
2 17 0 6.00 2.35 2.60 <
3 17 0 48.44 39.25 4.45 o
4 17 0 103.43 118.36 6.71 o
5 17 0 279.89 262.83 13.38 o
6 17 0 236.54 264.58 12.00 o
7 17 0 221.71 210.01 11.91 o
8 17 0 84.09 107.73 7.34 o
0 18 0 48.72 45.23 4.47 o
1 18 0 19.80 18.91 3.20 o
2 18 0 29.27 24.38 3.79 o
3 18 0 3.28 1.85 2.64 <
4 18 0 1.72 1.33 3.51 <
5 18 0 1.00 0.46 2.87 <
6 18 0 4.12 0.37 3.53 <
7 18 0 1.56 0.32 4.23 <
1 19 0 1.82 0.77 2.78 <
2 19 0 2.34 2.10 2.91 <
3 19 0 1.74 0.09 2.90 <
4 19 0 4.16 0.27 4.20 <
5 19 0 6.92 6.25 3.95 <
6 19 0 3.42 1.09 3.77 <
0 20 0 227.10 205.64 11.45 o
1 20 0 201.64 206.27 10.51 o
2 20 0 324.72 305.67 15.14 o
3 20 0 293.09 290.23 14.04 o
4 20 0 288.32 243.49 14.26 o
5 20 0 122.99 105.89 8.65 o
1 21 0 4.88 4.84 3.40 <
2 21 0 10.43 0.62 3.94 <
3 21 0 14.14 11.69 4.21 o
0 22 0 108.58 118.41 8.13 o
1 22 0 78.85 69.37 7.10 o
-13 1 1 274.23 284.08 14.57 o
-12 1 1 259.85 271.37 13.22 o
-11 1 1 277.22 281.43 13.32 o
-10 1 1 339.30 331.05 15.47 o
-9 1 1 342.25 339.29 15.17 o
-8 1 1 410.06 401.45 18.63 o
-7 1 1 329.42 325.09 15.25 o
-6 1 1 316.84 331.86 14.60 o
-5 1 1 221.41 216.84 10.12 o
-4 1 1 107.95 113.05 5.61 o
-3 1 1 62.25 63.54 3.31 o
-2 1 1 25.70 18.12 1.72 o
-1 1 1 29.81 0.00 1.53 x
0 1 1 25.20 0.00 1.20 x
1 1 1 174.24 0.00 7.39 x
2 1 1 44.76 34.02 2.41 o
3 1 1 7.67 5.41 1.16 o
4 1 1 234.40 218.04 10.72 o
5 1 1 39.82 38.04 3.03 o
6 1 1 87.05 81.67 5.22 o
7 1 1 11.90 5.83 2.48 o
8 1 1 17.47 12.00 3.01 o
9 1 1 18.84 21.34 3.21 o
10 1 1 4.54 0.80 2.60 <
11 1 1 4.88 3.66 3.40 <
12 1 1 9.67 0.38 4.17 <
-13 2 1 410.47 420.30 19.45 o
-12 2 1 459.24 457.59 20.57 o
-11 2 1 499.52 502.73 21.01 o
-10 2 1 414.94 383.82 17.93 o
-9 2 1 469.16 477.96 19.93 o
-8 2 1 719.85 707.77 31.12 o
-7 2 1 1022.08 1065.27 43.48 o
-6 2 1 1206.87 1141.05 50.72 o
-5 2 1 734.95 764.19 30.91 o
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-3 2 1 135.26 138.66 6.28 o
-2 2 1 135.02 145.91 6.04 o
-1 2 1 242.42 0.00 10.28 x
0 2 1 20.07 0.00 1.08 x
1 2 1 8.76 4.61 0.77 o
2 2 1 529.46 500.60 22.09 o
3 2 1 409.25 373.29 17.40 o
4 2 1 463.54 420.46 19.81 o
5 2 1 196.28 192.26 9.25 o
6 2 1 296.87 259.90 13.78 o
7 2 1 298.25 303.24 13.82 o
8 2 1 370.95 350.78 16.95 o
9 2 1 255.36 262.68 12.46 o
10 2 1 91.58 84.32 6.32 o
11 2 1 24.50 26.07 4.26 o
12 2 1 3.50 1.00 4.23 <
-13 3 1 262.76 269.64 14.26 o
-12 3 1 439.74 412.19 19.71 o
-11 3 1 511.66 421.57 22.17 o
-10 3 1 250.91 211.54 12.36 o
-9 3 1 175.30 155.31 9.27 o
-8 3 1 107.12 110.68 6.62 o
-7 3 1 396.81 385.51 18.33 o
-6 3 1 340.77 346.50 15.51 o
-5 3 1 531.76 528.94 23.06 o
-4 3 1 23.14 21.76 2.12 o
-3 3 1 16.32 13.47 1.62 o
-2 3 1 272.58 260.44 11.56 o
-1 3 1 28.84 28.81 1.72 o
0 3 1 49.00 55.19 2.38 o
1 3 1 67.57 69.02 3.12 o
2 3 1 242.11 232.20 10.27 o
3 3 1 343.36 316.79 14.82 o
4 3 1 643.64 606.28 26.89 o
5 3 1 239.32 232.75 11.14 o
6 3 1 72.42 66.84 4.77 o
7 3 1 11.29 8.72 2.49 o
8 3 1 45.83 45.43 4.33 o
9 3 1 137.59 143.73 7.98 o
10 3 1 196.00 204.83 10.08 o
11 3 1 82.45 85.07 6.72 o
12 3 1 9.49 7.38 4.37 <
-13 4 1 14.44 11.05 4.41 o
-12 4 1 28.30 34.26 4.89 o
-11 4 1 102.01 112.28 7.27 o
-10 4 1 74.65 80.79 5.88 o
-9 4 1 96.63 80.28 6.29 o
-8 4 1 34.81 36.16 3.78 o
-7 4 1 189.34 169.77 9.91 o
-6 4 1 518.93 498.29 22.78 o
-5 4 1 1486.87 1394.77 62.47 o
-4 4 1 1860.20 1819.63 76.77 o
-3 4 1 1616.04 1585.02 66.73 o
-2 4 1 853.22 849.33 35.05 o
-1 4 1 700.66 733.55 29.12 o
0 4 1 1636.20 1670.92 66.34 o
1 4 1 2793.12 2978.19 113.10 o
2 4 1 4003.09 4123.53 161.97 o
3 4 1 2667.72 2551.53 108.46 o
4 4 1 1460.00 1367.35 60.37 o
5 4 1 661.52 630.34 28.29 o
6 4 1 639.08 593.85 27.81 o
7 4 1 832.32 802.97 35.20 o
8 4 1 916.88 905.94 38.15 o
9 4 1 739.30 739.68 30.45 o
10 4 1 370.18 370.78 16.55 o
11 4 1 169.00 176.99 9.88 o
12 4 1 86.30 85.95 7.62 o
-12 5 1 86.68 80.12 7.26 o
-11 5 1 156.25 138.05 9.25 o
-10 5 1 84.64 64.76 6.07 o
-9 5 1 36.48 10.08 3.87 o
-8 5 1 33.87 25.45 3.84 o
-7 5 1 31.70 16.54 3.72 o
-6 5 1 16.97 10.34 2.55 o
-5 5 1 10.82 4.05 1.97 o
-4 5 1 30.91 24.23 2.67 o
-3 5 1 170.04 149.79 8.08 o
-2 5 1 525.33 515.80 22.00 o
-1 5 1 384.16 373.74 16.07 o
0 5 1 174.77 190.83 7.67 o
1 5 1 16.89 9.25 1.40 o
2 5 1 46.24 55.79 2.72 o
3 5 1 54.46 34.75 3.39 o
4 5 1 101.81 88.98 5.65 o
5 5 1 6.86 0.57 1.78 o
6 5 1 8.29 6.41 2.25 o
7 5 1 98.01 97.78 6.14 o
8 5 1 58.68 61.25 4.90 o
9 5 1 94.67 96.70 6.42 o
10 5 1 56.85 60.43 5.13 o
11 5 1 117.07 118.36 8.01 o
12 5 1 113.85 115.99 8.54 o
-12 6 1 122.77 101.30 8.64 o
-11 6 1 133.17 129.93 8.54 o
-10 6 1 245.24 211.41 12.21 o
-9 6 1 278.22 285.60 13.01 o
-8 6 1 433.47 399.00 19.15 o
-7 6 1 477.86 492.61 21.42 o
-6 6 1 494.62 467.63 21.80 o
-5 6 1 496.40 500.55 21.39 o
-4 6 1 242.74 229.04 11.22 o
-3 6 1 251.54 244.25 11.10 o
-2 6 1 65.61 69.03 3.73 o
-1 6 1 284.93 256.71 12.49 o
0 6 1 95.06 108.38 4.68 o
1 6 1 70.56 72.95 3.86 o
2 6 1 52.13 55.69 3.32 o
3 6 1 369.79 336.47 16.15 o
4 6 1 394.42 383.88 17.48 o
5 6 1 254.72 245.39 12.13 o
6 6 1 23.23 20.35 2.99 o
7 6 1 60.37 55.03 4.66 o
8 6 1 70.56 78.17 5.38 o
9 6 1 400.40 394.77 17.21 o
10 6 1 235.93 259.36 11.67 o
11 6 1 183.60 184.10 10.30 o
12 6 1 3.72 6.48 3.98 <
-12 7 1 15.60 0.02 4.50 o
-11 7 1 64.32 43.11 5.93 o
-10 7 1 88.55 72.98 6.40 o
-9 7 1 37.82 16.73 4.06 o
-8 7 1 56.40 54.06 4.81 o
-7 7 1 157.00 156.74 8.77 o
-6 7 1 203.35 173.70 10.55 o
-5 7 1 18.75 16.78 2.51 o
-4 7 1 42.64 23.41 3.40 o
-3 7 1 46.38 48.96 3.13 o
-2 7 1 633.03 593.36 27.17 o
-1 7 1 690.11 729.38 28.90 o
0 7 1 1128.96 1062.47 47.04 o
1 7 1 451.99 486.36 19.13 o
2 7 1 431.81 392.27 18.70 o
3 7 1 278.56 267.64 12.68 o
4 7 1 375.20 355.64 16.66 o
5 7 1 349.69 343.67 15.71 o
6 7 1 376.75 344.70 17.08 o
7 7 1 230.13 234.13 11.23 o
8 7 1 122.77 122.01 7.31 o
9 7 1 47.47 46.56 4.55 o
10 7 1 12.96 13.65 3.46 o
11 7 1 13.54 11.28 3.97 o
12 7 1 19.54 14.51 4.95 o
-12 8 1 14.98 14.74 4.64 o
-11 8 1 57.30 55.39 5.90 o
-10 8 1 112.57 130.37 7.21 o
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2 8 1 1490.73 1456.17 61.78 o
3 8 1 1470.72 1456.24 60.59 o
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8 8 1 745.84 664.73 31.68 o
9 8 1 445.63 427.33 19.00 o
10 8 1 408.04 392.28 18.18 o
11 8 1 177.69 174.91 10.66 o
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-10 9 1 7.73 5.23 3.34 <
-9 9 1 2.76 1.20 3.15 <
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-7 9 1 474.37 513.44 20.47 o
-6 9 1 1248.92 1173.27 52.30 o
-5 9 1 970.32 949.41 41.12 o
-4 9 1 453.69 415.99 20.02 o
-3 9 1 102.62 104.04 5.67 o
-2 9 1 262.76 242.33 12.00 o
-1 9 1 1088.34 1073.51 45.53 o
0 9 1 1965.15 1993.06 79.79 o
1 9 1 1546.06 1516.43 63.70 o
2 9 1 316.48 338.50 14.23 o
3 9 1 10.63 2.51 1.96 o
4 9 1 23.14 15.61 2.69 o
5 9 1 38.81 4.18 3.74 o
6 9 1 126.56 129.99 7.65 o
7 9 1 42.90 36.53 4.19 o
8 9 1 10.18 8.00 3.00 o
9 9 1 241.80 240.76 11.82 o
10 9 1 280.90 278.76 13.41 o
11 9 1 233.17 233.65 12.52 o
-11 10 1 63.68 74.02 6.22 o
-10 10 1 3.57 3.14 3.78 <
-9 10 1 1.42 0.10 3.09 <
-8 10 1 5.43 2.35 2.94 <
-7 10 1 185.50 190.56 9.26 o
-6 10 1 434.72 412.36 19.18 o
-5 10 1 466.99 469.50 20.75 o
-4 10 1 129.50 126.45 7.06 o
-3 10 1 22.85 23.00 2.58 o
-2 10 1 11.36 7.98 1.95 o
-1 10 1 64.00 70.74 4.00 o
0 10 1 150.06 127.39 7.60 o
1 10 1 32.04 40.69 2.72 o
2 10 1 1.96 0.04 1.79 <
3 10 1 95.65 76.87 5.67 o
4 10 1 76.91 92.38 5.09 o
5 10 1 173.45 150.08 8.96 o
6 10 1 100.80 112.66 6.22 o
7 10 1 179.83 156.10 9.39 o
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9 10 1 164.87 151.29 9.24 o
10 10 1 111.72 135.73 7.82 o
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