#------------------------------------------------------------------------------
#$Date: 2021-09-29 05:06:19 +0300 (Wed, 29 Sep 2021) $
#$Revision: 269359 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/24/2022464.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_2022464
_cell_angle_alpha                90.000
_cell_angle_beta                 108.025
_cell_angle_gamma                90.000
_cell_length_a                   8.4770
_cell_length_b                   19.6180
_cell_length_c                   9.8030
_exptl_crystal_F_000             688.00
_reflns_d_resolution_high        0.7722
_cod_data_source_file            ky32092sup3.hkl
_cod_data_source_block           2
_shelx_title                     ' 6D1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            211.09
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
2 0 0 18884.69 18650.60 432.28 o
3 0 0 3477.88 4005.33 104.77 o
4 0 0 3887.43 3913.08 170.23 o
5 0 0 3943.11 3928.50 152.82 o
6 0 0 1861.88 1722.29 93.59 o
7 0 0 1301.59 1308.36 59.27 o
8 0 0 40.50 158.98 54.58 o
9 0 0 1587.41 1992.66 122.37 o
10 0 0 31.13 -131.56 131.56 o
1 1 0 885.41 609.33 21.26 o
2 1 0 17230.93 17271.58 284.80 o
3 1 0 1325.55 1290.37 25.48 o
4 1 0 492.58 532.89 17.50 o
5 1 0 746.98 825.02 32.03 o
6 1 0 1437.17 1313.87 56.96 o
7 1 0 87.80 97.83 33.00 o
8 1 0 565.03 583.73 63.31 o
9 1 0 52.15 143.56 109.84 o
10 1 0 198.10 265.95 92.90 o
1 2 0 3370.23 4887.52 846.94 o
2 2 0 2577.56 2964.97 48.31 o
3 2 0 213.27 205.45 12.74 o
4 2 0 4955.10 4998.02 128.02 o
5 2 0 1551.27 1483.28 44.88 o
6 2 0 1140.64 1020.63 28.03 o
7 2 0 179.72 190.07 31.07 o
8 2 0 697.09 706.35 54.11 o
9 2 0 298.01 351.37 74.34 o
10 2 0 7.19 95.92 91.05 o
1 3 0 659.10 814.51 170.89 o
2 3 0 602.48 759.91 63.95 o
3 3 0 7396.74 7296.25 169.31 o
4 3 0 104.81 131.95 18.63 o
5 3 0 1691.54 1674.47 108.48 o
6 3 0 2831.49 2860.57 96.64 o
7 3 0 106.74 93.85 24.17 o
8 3 0 2325.51 2430.20 73.40 o
9 3 0 158.82 101.66 69.11 o
10 3 0 1206.51 1380.21 100.26 o
0 4 0 1408.63 1679.58 64.90 o
1 4 0 979.35 1429.59 508.93 o
2 4 0 595.54 926.87 176.12 o
3 4 0 1254.95 1510.03 82.75 o
4 4 0 834.44 1047.74 52.38 o
5 4 0 223.98 193.12 21.07 o
6 4 0 276.38 289.64 27.55 o
7 4 0 173.66 206.20 31.08 o
8 4 0 265.51 242.71 36.21 o
9 4 0 1.47 -45.98 166.10 o
10 4 0 27.70 40.09 89.02 o
1 5 0 6049.70 9209.98 2389.46 o
2 5 0 608.51 766.28 160.51 o
3 5 0 1801.15 1747.83 211.55 o
4 5 0 3938.84 3841.66 150.98 o
5 5 0 564.29 430.18 21.90 o
6 5 0 1420.35 1415.95 47.96 o
7 5 0 307.84 338.76 34.19 o
8 5 0 1440.33 1356.73 88.64 o
9 5 0 16.75 -0.53 163.69 o
10 5 0 1230.18 1321.51 126.69 o
1 6 0 558.89 850.11 206.19 o
2 6 0 7058.69 9609.13 2028.94 o
3 6 0 6387.99 8953.63 2091.01 o
4 6 0 119.15 80.61 13.64 o
5 6 0 1379.09 1339.26 36.68 o
6 6 0 927.54 842.48 32.96 o
7 6 0 1212.59 1139.90 40.89 o
8 6 0 272.22 279.70 33.86 o
9 6 0 1018.90 1158.00 78.48 o
10 6 0 75.46 284.10 168.84 o
1 7 0 562.46 560.91 62.42 o
2 7 0 6.74 -11.41 11.41 o
3 7 0 192.80 329.16 52.59 o
4 7 0 596.73 626.24 103.67 o
5 7 0 159.78 152.01 16.60 o
6 7 0 660.14 633.59 32.78 o
7 7 0 78.54 98.33 29.56 o
8 7 0 119.23 134.20 108.59 o
9 7 0 28.86 33.11 67.46 o
1 8 0 614.18 676.51 51.44 o
2 8 0 7826.24 9191.27 1882.58 o
3 8 0 1488.99 2035.51 340.87 o
4 8 0 4655.32 5689.17 1049.89 o
5 8 0 1482.49 1480.51 113.57 o
6 8 0 972.83 935.87 54.87 o
7 8 0 2315.86 2414.94 80.21 o
8 8 0 20.24 64.89 57.84 o
9 8 0 1182.61 1262.81 78.41 o
1 9 0 1252.59 1066.79 29.89 o
2 9 0 94.13 176.98 30.70 o
3 9 0 2846.24 3578.29 670.34 o
4 9 0 425.19 534.76 106.58 o
5 9 0 1112.75 1225.80 190.04 o
6 9 0 1326.19 1210.18 169.00 o
7 9 0 40.90 69.70 29.71 o
8 9 0 404.20 474.81 55.70 o
9 9 0 4.74 311.43 103.48 o
0 10 0 2904.94 3014.18 228.63 o
1 10 0 66.42 100.07 15.28 o
2 10 0 3762.37 4167.86 781.85 o
3 10 0 465.42 688.32 129.87 o
4 10 0 1328.17 1583.86 285.77 o
5 10 0 347.48 480.83 88.21 o
6 10 0 6.80 -8.49 20.32 o
7 10 0 179.63 220.81 41.84 o
8 10 0 1.00 -9.10 62.78 o
9 10 0 453.76 654.88 102.24 o
1 11 0 4648.70 4188.02 102.39 o
2 11 0 348.03 327.67 52.71 o
3 11 0 4826.74 5363.56 1056.71 o
4 11 0 3338.10 4465.75 864.07 o
5 11 0 1331.43 1669.24 287.45 o
6 11 0 4155.50 4327.94 656.96 o
7 11 0 135.82 248.68 32.56 o
8 11 0 1128.95 1266.15 68.17 o
9 11 0 0.55 -59.10 97.95 o
0 12 0 1229.02 1143.13 58.77 o
1 12 0 75.12 83.82 15.28 o
2 12 0 1138.51 1519.12 277.12 o
3 12 0 282.03 308.71 58.52 o
4 12 0 383.92 588.23 94.44 o
5 12 0 129.99 246.39 35.22 o
6 12 0 300.86 430.15 67.62 o
7 12 0 263.61 224.96 49.28 o
8 12 0 2.42 35.83 62.66 o
9 12 0 316.01 518.78 108.48 o
1 13 0 1080.40 1158.88 44.53 o
2 13 0 14.64 8.32 18.38 o
3 13 0 633.98 847.22 158.66 o
4 13 0 282.13 457.27 66.09 o
5 13 0 955.59 1311.72 178.53 o
6 13 0 994.59 1179.82 178.97 o
7 13 0 166.77 102.21 123.73 o
8 13 0 426.72 606.71 69.15 o
0 14 0 2424.84 2395.84 73.91 o
1 14 0 123.70 124.40 15.41 o
2 14 0 6488.42 7140.19 849.81 o
3 14 0 1070.68 1475.79 259.69 o
4 14 0 3014.70 3874.45 725.14 o
5 14 0 1288.34 1951.66 315.37 o
6 14 0 622.57 827.96 95.67 o
7 14 0 1173.28 1455.55 262.65 o
8 14 0 28.88 229.54 85.21 o
1 15 0 5.25 -17.00 17.00 o
2 15 0 167.82 193.99 38.11 o
3 15 0 1633.85 2025.19 287.75 o
4 15 0 758.11 1057.14 181.63 o
5 15 0 131.09 189.09 32.43 o
6 15 0 88.81 155.09 35.05 o
7 15 0 0.45 15.73 63.71 o
8 15 0 8.09 113.59 120.24 o
0 16 0 2394.36 2615.44 181.56 o
1 16 0 326.01 344.51 17.97 o
2 16 0 3633.31 3834.09 296.84 o
3 16 0 850.37 978.95 122.57 o
4 16 0 2035.58 2276.61 462.22 o
5 16 0 773.58 1271.72 152.04 o
6 16 0 597.26 842.00 119.67 o
7 16 0 896.11 1336.65 200.66 o
8 16 0 132.09 296.13 82.89 o
1 17 0 1174.40 1161.78 28.02 o
2 17 0 518.69 620.70 48.95 o
3 17 0 1515.30 1876.37 228.48 o
4 17 0 214.04 322.44 79.98 o
5 17 0 333.10 541.52 94.72 o
6 17 0 393.83 402.50 97.52 o
7 17 0 71.41 501.63 144.32 o
0 18 0 2494.22 2412.42 59.25 o
1 18 0 0.14 17.74 25.53 o
2 18 0 1915.09 1968.21 47.85 o
3 18 0 51.80 89.91 41.61 o
4 18 0 162.24 245.06 35.93 o
5 18 0 86.72 41.48 39.10 o
6 18 0 15.46 -85.47 123.53 o
7 18 0 106.19 203.95 88.85 o
1 19 0 1607.62 1601.32 58.65 o
2 19 0 254.22 263.66 28.53 o
3 19 0 1025.22 1145.70 92.36 o
4 19 0 911.97 1098.07 135.54 o
5 19 0 1201.25 1733.78 272.24 o
6 19 0 667.23 948.81 249.65 o
0 20 0 1053.78 1189.97 49.07 o
1 20 0 344.07 315.36 72.10 o
2 20 0 421.56 491.94 42.68 o
3 20 0 174.58 133.13 33.20 o
4 20 0 194.89 191.51 44.52 o
5 20 0 416.23 528.25 86.79 o
6 20 0 13.43 17.26 88.30 o
1 21 0 178.51 253.20 31.49 o
2 21 0 30.04 53.79 34.84 o
3 21 0 306.81 342.69 72.23 o
4 21 0 34.79 134.71 55.43 o
5 21 0 31.48 181.94 63.07 o
0 22 0 1411.60 1361.03 55.81 o
1 22 0 43.58 170.85 63.66 o
2 22 0 1295.20 1336.34 70.25 o
3 22 0 397.84 388.89 146.19 o
4 22 0 583.97 748.16 113.38 o
5 22 0 1063.32 1502.19 468.50 o
1 23 0 57.98 199.79 62.94 o
2 23 0 3.58 83.38 67.40 o
3 23 0 40.99 164.90 96.72 o
4 23 0 23.33 213.19 109.37 o
0 24 0 696.07 572.12 147.25 o
1 24 0 0.32 218.77 101.26 o
2 24 0 477.00 422.37 104.21 o
3 24 0 137.37 161.33 101.42 o
1 25 0 820.78 767.19 165.45 o
-10 1 1 820.23 919.47 86.17 o
-9 1 1 592.09 668.63 56.95 o
-8 1 1 34.26 35.23 31.31 o
-7 1 1 256.49 304.28 44.21 o
-6 1 1 1615.96 1676.79 58.58 o
-5 1 1 7136.46 6884.23 318.18 o
-4 1 1 44.03 99.37 28.32 o
-3 1 1 7771.25 7494.11 105.56 o
-2 1 1 5441.60 5820.26 71.32 o
-1 1 1 5558.66 6106.66 131.30 o
0 1 1 2028.36 1827.58 62.49 o
1 1 1 1472.01 1742.63 68.71 o
2 1 1 7172.76 7921.47 107.14 o
3 1 1 591.67 647.28 28.04 o
4 1 1 4502.18 4581.83 87.22 o
5 1 1 0.20 47.07 15.54 o
6 1 1 4801.50 4728.13 142.21 o
7 1 1 3674.96 3778.04 122.59 o
8 1 1 973.25 899.42 69.10 o
9 1 1 715.35 860.12 125.67 o
10 1 1 231.25 358.58 102.40 o
-10 2 1 430.09 593.58 166.01 o
-9 2 1 631.43 730.33 147.61 o
-8 2 1 1388.96 1206.03 40.32 o
-7 2 1 1601.48 1591.47 50.24 o
-6 2 1 3648.24 3530.04 70.02 o
-5 2 1 5.44 19.63 15.90 o
-4 2 1 11879.03 11898.95 227.02 o
-3 2 1 6587.04 6938.30 91.77 o
-2 2 1 436.53 609.40 11.54 o
-1 2 1 689.91 904.15 26.87 o
1 2 1 812.78 1013.17 140.12 o
2 2 1 2464.28 2618.48 110.87 o
3 2 1 3436.74 3787.86 68.59 o
4 2 1 4.33 6.78 21.80 o
5 2 1 2479.81 2308.46 60.14 o
6 2 1 615.37 656.70 29.71 o
7 2 1 1508.01 1578.11 45.98 o
8 2 1 25.54 -33.10 51.22 o
9 2 1 151.51 131.16 79.24 o
10 2 1 291.64 258.07 96.34 o
-10 3 1 9.44 91.57 80.00 o
-9 3 1 158.44 463.04 178.29 o
-8 3 1 93.23 123.34 41.92 o
-7 3 1 73.36 50.71 27.03 o
-6 3 1 436.62 452.79 26.45 o
-5 3 1 960.17 967.39 33.08 o
-4 3 1 8.33 11.86 15.34 o
-3 3 1 540.43 587.60 12.95 o
-2 3 1 4394.38 4859.40 92.55 o
-1 3 1 1673.00 1699.23 38.51 o
0 3 1 4196.29 5021.30 83.31 o
1 3 1 862.65 1089.35 216.71 o
2 3 1 377.04 440.82 25.54 o
3 3 1 1.07 -1.46 9.06 o
4 3 1 1368.58 1389.40 53.41 o
5 3 1 15.21 36.96 17.40 o
6 3 1 2562.51 2450.75 54.77 o
7 3 1 291.55 331.53 26.64 o
8 3 1 3.72 -41.87 48.11 o
9 3 1 30.75 109.65 81.53 o
10 3 1 250.86 511.99 98.06 o
-10 4 1 103.18 279.89 81.20 o
-9 4 1 1976.53 2167.40 71.78 o
-8 4 1 508.68 500.79 26.63 o
-7 4 1 3233.93 3164.94 71.98 o
-6 4 1 5979.55 5833.86 179.65 o
-5 4 1 126.96 140.68 17.38 o
-4 4 1 8914.81 9360.61 442.11 o
-3 4 1 1016.49 1138.16 19.94 o
-2 4 1 13663.04 17072.85 3130.75 o
-1 4 1 10095.30 10747.48 256.38 o
0 4 1 17088.05 17799.61 517.16 o
1 4 1 5683.00 6834.26 1412.59 o
2 4 1 5881.93 7111.50 1147.77 o
3 4 1 5317.66 5463.22 254.72 o
4 4 1 1620.30 1732.42 80.16 o
5 4 1 5902.99 5765.99 103.27 o
6 4 1 3.77 75.41 33.18 o
7 4 1 2461.68 2511.36 74.72 o
8 4 1 242.76 222.74 57.48 o
9 4 1 1013.59 1253.61 91.21 o
-10 5 1 73.90 58.19 81.09 o
-9 5 1 19.88 82.14 60.68 o
-8 5 1 131.78 151.31 26.55 o
-7 5 1 877.87 904.01 67.88 o
-6 5 1 190.63 242.28 29.88 o
-5 5 1 1136.44 1137.49 53.78 o
-4 5 1 2200.79 2564.90 58.30 o
-3 5 1 10158.02 12341.19 3345.27 o
-2 5 1 186.05 206.40 18.27 o
-1 5 1 4883.90 5656.83 726.42 o
0 5 1 1816.55 1927.01 46.59 o
1 5 1 1050.30 1007.92 64.99 o
2 5 1 3368.61 4110.44 798.52 o
3 5 1 2377.89 2598.93 463.00 o
4 5 1 4390.59 4553.95 232.16 o
5 5 1 0.32 -26.34 26.34 o
6 5 1 1135.17 1146.96 39.38 o
7 5 1 323.67 328.60 67.00 o
8 5 1 523.73 547.76 35.01 o
9 5 1 268.16 320.87 82.30 o
-10 6 1 105.67 143.41 84.54 o
-9 6 1 208.20 228.75 73.78 o
-8 6 1 81.85 68.66 39.49 o
-7 6 1 345.43 378.31 29.82 o
-6 6 1 2418.16 2376.50 163.50 o
-5 6 1 69.39 80.75 13.01 o
-4 6 1 2066.95 2133.52 146.34 o
-3 6 1 1.67 23.78 8.71 o
-2 6 1 3016.42 3214.15 115.09 o
-1 6 1 908.51 991.72 22.05 o
0 6 1 1079.86 1177.07 35.03 o
1 6 1 3991.47 4974.42 667.51 o
2 6 1 257.00 319.19 80.62 o
3 6 1 2293.42 2265.31 246.89 o
4 6 1 1092.98 1078.86 82.87 o
5 6 1 1442.79 1397.98 73.44 o
6 6 1 0.34 -6.01 27.03 o
7 6 1 680.50 654.44 35.03 o
8 6 1 21.93 -23.17 57.74 o
9 6 1 238.70 407.08 82.30 o
-10 7 1 167.38 275.35 170.19 o
-9 7 1 1124.65 1046.85 70.88 o
-8 7 1 510.77 532.65 118.52 o
-7 7 1 2550.49 2482.11 87.47 o
-6 7 1 202.19 250.71 29.73 o
-5 7 1 3577.42 3411.47 185.47 o
-4 7 1 7.53 7.69 16.31 o
-3 7 1 10403.28 10372.46 268.28 o
-2 7 1 1720.36 1666.23 51.25 o
-1 7 1 8093.01 8908.96 1478.69 o
0 7 1 4662.95 4667.60 155.45 o
1 7 1 4238.24 5009.68 727.01 o
2 7 1 2732.01 3255.40 989.64 o
3 7 1 2591.23 3604.95 573.84 o
4 7 1 5165.78 4823.70 369.06 o
5 7 1 0.52 2.84 19.07 o
6 7 1 3638.00 3592.85 98.31 o
7 7 1 414.07 489.97 74.57 o
8 7 1 691.57 769.49 70.95 o
9 7 1 469.11 610.34 135.00 o
-10 8 1 42.89 301.23 107.66 o
-9 8 1 216.56 274.68 88.90 o
-8 8 1 81.42 126.85 59.43 o
-7 8 1 17.48 20.40 30.47 o
-6 8 1 616.02 646.47 26.37 o
-5 8 1 1.75 11.91 22.49 o
-4 8 1 676.90 696.63 68.69 o
-3 8 1 277.92 374.37 64.20 o
-2 8 1 21.14 39.02 11.46 o
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0 8 1 2270.61 2450.65 136.12 o
1 8 1 335.76 460.59 73.65 o
2 8 1 266.51 331.01 77.66 o
3 8 1 418.74 490.44 140.05 o
4 8 1 16.99 -10.01 15.20 o
5 8 1 132.19 187.07 42.80 o
6 8 1 11.54 23.55 27.70 o
7 8 1 3.41 12.77 35.55 o
8 8 1 3.55 233.79 63.73 o
9 8 1 73.58 148.60 80.36 o
-9 9 1 842.81 963.49 97.38 o
-8 9 1 18.80 190.61 54.65 o
-7 9 1 1560.22 1582.89 104.62 o
-6 9 1 5.48 15.33 20.53 o
-5 9 1 3012.55 3104.07 383.53 o
-4 9 1 121.56 166.93 31.05 o
-3 9 1 4616.29 5266.35 845.24 o
-2 9 1 665.40 736.55 89.83 o
-1 9 1 10299.44 10484.59 307.08 o
0 9 1 1808.90 1981.76 81.55 o
1 9 1 1367.07 1719.47 222.16 o
2 9 1 2178.36 2582.38 494.82 o
3 9 1 14.78 -1.04 13.01 o
4 9 1 2133.09 2279.87 562.15 o
5 9 1 5.31 15.71 23.28 o
6 9 1 1283.79 1211.52 80.92 o
7 9 1 115.71 133.35 36.27 o
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9 9 1 371.66 444.11 77.10 o
-9 10 1 1085.10 1184.93 101.43 o
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-9 11 1 9.03 19.06 89.51 o
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0 11 1 4.38 -9.21 14.62 o
1 11 1 376.82 306.54 39.27 o
2 11 1 250.13 348.15 57.62 o
3 11 1 183.43 301.67 59.82 o
4 11 1 3.11 3.26 23.55 o
5 11 1 0.44 20.08 15.41 o
6 11 1 0.81 -19.39 34.59 o
7 11 1 32.68 78.99 90.97 o
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-9 12 1 831.26 841.39 183.46 o
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-7 12 1 338.77 371.83 71.98 o
-6 12 1 2871.25 3289.07 369.16 o
-5 12 1 0.74 6.34 22.41 o
-4 12 1 4696.88 5488.86 856.98 o
-3 12 1 12.16 15.46 16.49 o
-2 12 1 3107.39 3367.96 87.50 o
-1 12 1 389.78 392.78 26.05 o
0 12 1 2246.00 2261.22 102.02 o
1 12 1 5322.26 5242.13 90.32 o
2 12 1 523.11 596.22 136.48 o
3 12 1 1361.06 1816.57 362.49 o
4 12 1 790.87 1078.49 177.66 o
5 12 1 3003.36 3638.12 719.16 o
6 12 1 32.29 47.15 21.37 o
7 12 1 692.02 540.15 100.82 o
8 12 1 35.57 154.45 92.32 o
-9 13 1 163.57 375.02 103.10 o
-8 13 1 334.81 382.89 66.38 o
-7 13 1 1142.31 1268.49 160.08 o
-6 13 1 120.20 113.00 42.24 o
-5 13 1 21.96 38.95 43.41 o
-4 13 1 77.06 93.57 24.84 o
-3 13 1 340.94 388.24 28.14 o
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-1 13 1 2319.57 2158.07 90.96 o
0 13 1 1376.07 1272.13 48.63 o
1 13 1 85.09 46.89 35.23 o
2 13 1 663.38 653.27 114.39 o
3 13 1 21.97 33.81 24.55 o
4 13 1 1486.16 1976.70 303.01 o
5 13 1 3.48 -18.89 28.55 o
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7 13 1 166.66 256.38 55.79 o
8 13 1 238.18 413.72 100.69 o
-8 14 1 112.78 147.19 66.98 o
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-1 5 12 71.57 289.12 135.74 o
-5 6 12 466.67 413.38 154.88 o
-4 6 12 149.11 94.52 63.24 o
-3 6 12 636.17 601.83 67.82 o
-2 6 12 20.91 3.71 65.94 o
-5 7 12 33.46 146.39 70.45 o
-4 7 12 15.45 108.54 63.88 o
-3 7 12 0.72 -35.42 157.84 o
-2 7 12 31.23 181.42 88.67 o
-4 8 12 81.96 84.87 97.34 o
-3 8 12 362.78 291.79 126.75 o