# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title ' ***Camo5o8 ***' _shelx_refln_list_code 4 _shelx_F_calc_maximum 582.82 _exptl_crystal_F_000 1176.00 _reflns_d_resolution_high 0.5538 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 7.5500 _cell_length_b 9.0680 _cell_length_c 9.9830 _cell_angle_alpha 90.000 _cell_angle_beta 110.070 _cell_angle_gamma 90.000 _shelx_F_squared_multiplier 1.000 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 1 0 0 546.28 487.50 43.21 o 2 0 0 1194.47 1181.16 62.13 o 3 0 0 6540.07 6577.04 116.11 o 4 0 0 9007.65 8876.30 160.30 o 5 0 0 263037.53 264441.47 2675.31 o 6 0 0 14468.65 14869.22 258.31 o 7 0 0 675.44 811.72 109.22 o 8 0 0 8124.10 8044.31 250.98 o 9 0 0 23812.83 26020.22 460.88 o 10 0 0 42189.00 43952.79 679.64 o 11 0 0 24791.83 26337.26 573.38 o 12 0 0 344.72 630.22 146.26 o 1 1 0 3.09 -68.07 146.92 o 2 1 0 49.06 84.92 39.77 o 3 1 0 187.96 -130.10 168.52 o 4 1 0 370.75 333.71 48.54 o 5 1 0 369.74 344.48 65.39 o 6 1 0 216.11 194.12 227.82 o 7 1 0 69.30 -239.26 304.63 o 8 1 0 312.61 279.05 86.28 o 9 1 0 1208.15 1316.22 132.84 o 11 1 0 615.94 800.16 142.24 o 12 1 0 1.75 -24.94 145.57 o 0 2 0 995.52 984.09 47.95 o 1 2 0 2448.95 2406.74 61.61 o 2 2 0 4.34 17.52 164.44 o 3 2 0 6392.48 6797.21 111.93 o 4 2 0 48.61 126.71 167.15 o 5 2 0 1049.81 1113.48 74.19 o 6 2 0 1854.90 2096.21 104.57 o 7 2 0 717.34 811.73 91.02 o 8 2 0 2752.24 2618.90 150.48 o 9 2 0 1015.33 907.52 125.41 o 10 2 0 390.00 576.99 117.96 o 12 2 0 10.75 251.38 126.03 o 1 3 0 284.34 304.07 42.48 o 2 3 0 315.42 367.43 42.47 o 3 3 0 11.31 109.85 159.73 o 4 3 0 43.90 34.37 148.95 o 5 3 0 1432.55 1469.89 87.69 o 6 3 0 63.16 -102.44 204.21 o 9 3 0 821.63 756.43 111.91 o 10 3 0 1191.97 1345.82 151.03 o 12 3 0 126.05 266.22 115.92 o 0 4 0 144748.84 123542.63 1265.90 o 1 4 0 3609.23 3687.70 85.24 o 2 4 0 611.51 553.63 49.23 o 3 4 0 401.12 0.00 230.56 o 4 4 0 15848.18 16065.26 217.36 o 5 4 0 99158.41 96801.16 983.88 o 6 4 0 28573.00 28844.35 359.91 o 7 4 0 91.37 -128.73 301.27 o 8 4 0 448.54 471.86 94.37 o 9 4 0 9774.15 9714.52 278.78 o 10 4 0 19583.39 20447.54 443.39 o 11 4 0 15913.48 14950.89 433.15 o 12 4 0 220.44 116.60 139.52 o 1 5 0 429.36 367.44 52.59 o 2 5 0 7.18 31.68 115.25 o 3 5 0 567.07 496.23 62.03 o 4 5 0 323.33 266.94 63.36 o 5 5 0 862.17 944.66 82.26 o 6 5 0 384.51 355.91 81.56 o 8 5 0 254.26 208.95 88.97 o 9 5 0 920.54 369.46 488.79 o 0 6 0 185.59 -69.43 184.01 o 1 6 0 3127.50 3097.16 99.30 o 2 6 0 2473.37 2494.51 95.86 o 3 6 0 1108.49 1277.36 80.93 o 4 6 0 5542.25 5527.35 155.51 o 5 6 0 2656.28 2379.02 120.81 o 6 6 0 327.32 126.05 321.52 o 7 6 0 636.89 470.55 93.03 o 8 6 0 1022.00 84.28 466.57 o 10 6 0 1047.78 1041.65 142.93 o 11 6 0 801.55 604.03 715.26 o 1 7 0 368.58 43.14 281.78 o 2 7 0 307.62 353.21 57.97 o 3 7 0 65.76 -246.00 246.00 o 4 7 0 185.20 230.51 57.29 o 5 7 0 1162.19 1337.88 98.45 o 7 7 0 638.99 440.88 101.12 o 8 7 0 33.04 139.51 93.01 o 9 7 0 150.71 -543.23 543.23 o 10 7 0 509.83 756.31 132.79 o 11 7 0 147.95 171.87 127.38 o 0 8 0 233964.39 213443.28 2041.68 o 1 8 0 493.88 630.99 74.16 o 2 8 0 587.65 586.52 78.20 o 3 8 0 864.70 987.78 87.65 o 4 8 0 3127.95 3117.80 140.40 o 5 8 0 106256.21 105350.25 1061.37 o 6 8 0 8689.27 8619.47 242.87 o 7 8 0 395.17 0.00 297.26 o 8 8 0 3668.14 3908.44 202.47 o 9 8 0 13009.22 12798.82 367.73 o 10 8 0 24202.96 23363.43 532.28 o 11 8 0 15349.85 15301.42 461.42 o 1 9 0 38.88 178.60 229.82 o 3 9 0 71.39 35.05 68.07 o 4 9 0 404.73 338.38 84.93 o 5 9 0 26.04 -374.72 374.72 o 6 9 0 604.72 838.60 103.14 o 8 9 0 474.72 -310.75 475.89 o 9 9 0 922.80 1040.93 160.45 o 0 10 0 3778.61 3845.71 160.01 o 1 10 0 4740.64 4724.83 172.92 o 2 10 0 1981.49 2054.06 128.17 o 3 10 0 12373.98 11963.42 279.89 o 4 10 0 1790.40 1704.39 126.13 o 5 10 0 437.13 -459.72 459.72 o 6 10 0 3354.82 3233.21 180.19 o 7 10 0 429.72 288.50 130.77 o 8 10 0 11200.77 11463.23 353.26 o 9 10 0 2043.35 2003.76 186.15 o 1 11 0 1045.10 998.57 118.67 o 2 11 0 832.98 742.96 103.15 o 3 11 0 356.23 -255.46 390.95 o 4 11 0 112.79 187.37 85.60 o 5 11 0 599.15 289.19 372.78 o 6 11 0 55.58 103.12 374.05 o 9 11 0 169.86 128.73 464.38 o 0 12 0 43244.46 43730.98 578.91 o 1 12 0 2166.93 2174.07 145.70 o 2 12 0 476.16 549.37 108.53 o 3 12 0 4.08 -412.46 412.46 o 4 12 0 1915.59 1912.07 167.26 o 5 12 0 33555.06 34391.84 585.60 o 6 12 0 12423.91 12525.37 375.08 o 8 12 0 296.84 247.36 139.52 o 1 13 0 370.78 208.95 531.82 o 2 13 0 0.62 247.34 85.59 o 3 13 0 392.94 326.91 499.47 o 4 13 0 121.21 245.33 101.10 o 6 13 0 259.89 362.62 122.00 o 7 13 0 9.74 35.72 114.57 o 0 14 0 441.67 -117.29 560.14 o 1 14 0 4948.77 5034.23 255.22 o 2 14 0 1829.65 2031.98 187.48 o 3 14 0 3675.65 3511.95 224.05 o 4 14 0 5351.79 5597.17 281.58 o 5 14 0 1247.58 1421.31 172.61 o 6 14 0 1949.58 2315.25 214.46 o 1 15 0 706.34 729.40 169.20 o 4 15 0 743.15 814.34 159.77 o 5 15 0 828.32 1073.91 180.67 o 0 16 0 37776.16 37838.61 741.57 o 1 16 0 757.68 819.74 167.86 o 2 16 0 59.38 -12.81 146.92 o -13 1 1 3352.65 3657.74 279.34 o -11 1 1 12911.90 12148.77 368.41 o -10 1 1 5660.73 5580.12 230.34 o -9 1 1 2822.99 2772.64 159.25 o -8 1 1 2238.89 2212.23 134.93 o -7 1 1 1057.82 1050.60 89.69 o -6 1 1 34206.94 32958.52 339.17 o -5 1 1 40209.25 37379.07 364.03 o -4 1 1 20716.46 19864.94 205.23 o -3 1 1 11727.16 11413.79 130.49 o -2 1 1 165.57 159.10 45.84 o -1 1 1 11827.98 12119.08 118.82 o 0 1 1 80355.55 86640.89 476.11 o 1 1 1 4437.47 4277.65 70.74 o 2 1 1 27683.27 27286.44 275.54 o 3 1 1 974.76 930.29 56.67 o 4 1 1 3572.94 3471.96 102.73 o 5 1 1 53770.43 53291.66 523.89 o 6 1 1 8.35 -212.97 301.26 o 7 1 1 1258.22 1305.59 103.85 o 8 1 1 673.62 723.37 105.84 o 9 1 1 1154.18 1037.70 138.23 o 10 1 1 13283.86 13074.13 371.22 o 11 1 1 153.78 0.00 523.01 o 12 1 1 178.48 -661.86 661.86 o -12 2 1 4332.91 4305.80 263.25 o -10 2 1 451.27 402.42 103.13 o -9 2 1 1547.58 1416.90 126.11 o -8 2 1 40284.01 38087.87 464.85 o -7 2 1 1851.75 1834.25 107.94 o -6 2 1 2509.47 2543.25 109.34 o -5 2 1 177.45 111.22 213.67 o -4 2 1 45.06 -147.60 193.43 o -3 2 1 131325.75 118500.09 1242.44 o -2 2 1 10628.80 10391.95 116.28 o -1 2 1 10908.92 10634.07 107.91 o 0 2 1 1298.18 1311.93 95.61 o 1 2 1 8368.77 8394.32 100.40 o 2 2 1 107501.16 106425.55 1104.08 o 3 2 1 52664.10 53036.00 551.99 o 4 2 1 989.71 952.34 66.10 o 5 2 1 1530.58 1556.33 85.00 o 6 2 1 10535.53 10485.13 221.67 o 7 2 1 13709.85 13852.50 275.48 o 8 2 1 31763.47 30940.63 446.32 o 9 2 1 1364.54 1382.37 143.63 o 10 2 1 69.48 204.89 110.53 o 11 2 1 5989.59 6191.63 290.43 o -12 3 1 1172.19 1261.48 183.39 o -11 3 1 15090.32 14316.45 397.15 o -10 3 1 805.81 869.67 124.72 o -9 3 1 5931.81 5840.91 218.23 o -8 3 1 1651.01 1596.45 120.05 o -7 3 1 187.87 177.27 270.28 o -6 3 1 12882.69 12501.53 228.81 o -5 3 1 17993.25 17175.18 234.60 o -4 3 1 1382.89 1414.13 74.21 o -3 3 1 1912.46 1795.95 68.19 o -2 3 1 7088.99 6819.52 106.67 o -1 3 1 14276.45 14013.19 138.74 o 0 3 1 110906.52 108155.71 1657.57 o 1 3 1 4335.08 4090.72 81.31 o 2 3 1 308.10 264.27 41.12 o 3 3 1 323.16 393.69 48.54 o 4 3 1 1661.14 1851.52 85.02 o 5 3 1 30866.50 30800.30 325.49 o 6 3 1 667.88 617.56 80.23 o 7 3 1 4297.50 4464.73 164.79 o 8 3 1 2506.35 2258.19 139.66 o 9 3 1 2173.39 2139.65 147.05 o 10 3 1 10043.38 9608.82 322.71 o 11 3 1 564.58 648.47 142.23 o -12 4 1 278.61 -374.75 483.27 o -11 4 1 281.31 -223.77 448.22 o -10 4 1 32.51 147.60 100.42 o -8 4 1 9.19 -72.79 300.58 o -7 4 1 1031.43 309.50 424.13 o -6 4 1 257.45 208.95 276.36 o -5 4 1 782.25 811.15 78.22 o -4 4 1 277.41 321.54 55.27 o -3 4 1 67.18 217.70 43.13 o -2 4 1 1984.92 1989.21 69.55 o -1 4 1 246.16 232.57 41.80 o 0 4 1 1492.95 1397.34 42.00 o 1 4 1 173.96 72.80 152.34 o 2 4 1 0.15 28.31 157.03 o 3 4 1 740.74 832.12 64.06 o 4 4 1 93.43 -14.15 52.57 o 5 4 1 726.14 798.97 76.86 o 6 4 1 71.73 -171.86 221.74 o 7 4 1 12.01 -78.85 78.85 o 8 4 1 257.30 208.27 95.04 o 9 4 1 163.47 221.74 90.99 o 10 4 1 276.89 293.87 116.60 o -11 5 1 15673.94 15802.89 442.60 o -10 5 1 1763.91 1739.28 165.90 o -9 5 1 4466.63 4496.65 197.83 o -8 5 1 8472.51 7741.22 228.64 o -7 5 1 692.61 840.01 96.41 o -6 5 1 11088.19 11146.64 235.89 o -5 5 1 24890.47 24498.98 313.80 o -4 5 1 1701.67 1646.93 87.04 o -3 5 1 19065.79 18454.34 226.85 o -2 5 1 8563.62 8598.61 149.29 o -1 5 1 6888.93 6871.78 129.49 o 0 5 1 114133.09 108848.99 1319.65 o 1 5 1 5533.74 5172.87 114.43 o 2 5 1 13356.74 12747.56 182.47 o 3 5 1 656.88 757.19 64.73 o 4 5 1 1.17 -134.12 232.51 o 5 5 1 43926.91 43271.83 431.99 o 6 5 1 1854.27 1827.41 118.05 o 7 5 1 11601.33 11661.78 271.68 o 8 5 1 5529.04 5563.54 210.76 o 9 5 1 5621.84 5384.60 233.03 o 10 5 1 15468.26 15382.02 403.31 o 11 5 1 148.49 312.73 130.08 o -12 6 1 4523.01 4490.87 256.51 o -10 6 1 356.80 474.52 113.91 o -9 6 1 868.64 1007.22 121.35 o -8 6 1 26841.30 25589.85 415.76 o -7 6 1 1820.45 1757.09 116.69 o -6 6 1 1608.00 1392.81 111.29 o -5 6 1 6.98 0.00 185.34 o -4 6 1 1.00 93.68 208.92 o -3 6 1 73114.31 68311.34 718.70 o -2 6 1 2606.12 2427.94 95.20 o -1 6 1 5933.19 5754.85 133.35 o 0 6 1 926.38 1016.81 46.19 o 1 6 1 3337.08 3333.24 104.71 o 2 6 1 54996.54 52881.17 526.72 o 3 6 1 22316.07 21460.62 269.88 o 4 6 1 185.10 49.20 216.36 o 5 6 1 819.69 755.81 79.56 o 6 6 1 8662.47 8347.27 223.32 o 7 6 1 10316.52 10387.10 261.32 o 8 6 1 23462.11 22164.57 408.92 o 9 6 1 1685.81 1714.96 151.74 o 10 6 1 102.56 318.79 120.64 o 11 6 1 5134.42 5012.49 277.50 o -11 7 1 9997.38 9796.20 361.17 o -10 7 1 3542.63 3347.83 226.07 o -9 7 1 1366.83 1325.68 150.37 o -8 7 1 8.28 168.49 84.24 o -7 7 1 148.66 -370.02 370.02 o -6 7 1 26309.74 25533.64 380.00 o -5 7 1 18814.33 17830.93 300.03 o -4 7 1 4327.82 4463.95 154.70 o -2 7 1 1019.32 1073.60 80.25 o -1 7 1 12972.67 13008.26 211.33 o 0 7 1 23578.29 23158.62 196.86 o 1 7 1 47.54 65.37 52.57 o 2 7 1 3471.54 3380.83 118.86 o 3 7 1 192.30 225.80 64.03 o 4 7 1 241.94 334.99 64.71 o 5 7 1 23946.28 23650.87 355.20 o 6 7 1 1417.48 1493.75 121.39 o 7 7 1 108.40 241.96 74.14 o 8 7 1 45.77 -94.35 388.20 o 10 7 1 6575.92 6666.35 294.54 o 11 7 1 85.31 -129.40 428.64 o -11 8 1 1027.28 1036.23 166.53 o -10 8 1 898.14 814.39 155.06 o -9 8 1 866.48 848.78 139.55 o -8 8 1 259.22 344.42 117.28 o -7 8 1 710.80 335.73 530.55 o -6 8 1 574.83 392.34 101.12 o -5 8 1 2956.13 2668.51 134.30 o -4 8 1 997.58 834.09 91.03 o -3 8 1 623.17 769.90 72.81 o -2 8 1 1193.08 1206.49 93.74 o -1 8 1 164.37 155.02 200.18 o 0 8 1 6870.40 6727.38 240.19 o 2 8 1 55.60 36.39 58.64 o 3 8 1 1076.96 1085.66 91.71 o 4 8 1 647.43 680.23 84.94 o 5 8 1 4225.69 3885.40 166.11 o 8 8 1 109.23 -99.75 411.80 o 9 8 1 890.53 -223.15 589.22 o 10 8 1 649.69 467.15 141.56 o -10 9 1 4086.83 3838.33 259.85 o -9 9 1 1176.70 1421.30 146.98 o -8 9 1 4028.49 3693.54 207.22 o -7 9 1 2387.33 2338.82 152.46 o -6 9 1 10815.49 10315.14 276.23 o -5 9 1 19367.70 18520.76 345.31 o -4 9 1 6808.55 6565.51 198.77 o -3 9 1 10613.05 10478.55 243.88 o -2 9 1 379.03 316.14 77.52 o -1 9 1 252.85 247.37 74.14 o 0 9 1 25017.75 25145.35 405.48 o 1 9 1 2125.15 1939.70 118.74 o 2 9 1 16141.78 16106.45 288.04 o 3 9 1 163.26 76.16 72.79 o 4 9 1 5618.57 5068.89 187.16 o 5 9 1 27181.47 26658.14 419.34 o 6 9 1 170.87 -260.16 336.32 o 7 9 1 2751.89 2534.75 176.09 o 8 9 1 1297.15 1329.00 142.95 o 9 9 1 3545.43 3717.54 233.49 o 10 9 1 8247.55 8219.65 338.63 o -9 10 1 1744.18 1509.92 173.31 o -8 10 1 17820.01 17321.28 419.26 o -7 10 1 631.93 -302.00 523.11 o -6 10 1 1257.95 1257.55 139.58 o -5 10 1 315.78 0.00 361.28 o -4 10 1 502.82 499.50 87.63 o -3 10 1 32692.51 31643.37 442.46 o -2 10 1 3256.41 3265.50 148.49 o -1 10 1 2069.56 2035.29 120.75 o 0 10 1 307.86 370.00 128.07 o 1 10 1 973.46 859.68 94.40 o 2 10 1 28097.00 27257.76 399.32 o 3 10 1 18645.85 17388.43 331.61 o 4 10 1 528.65 484.00 88.98 o 5 10 1 957.44 937.16 122.71 o 6 10 1 2681.82 2177.13 169.34 o 7 10 1 6808.17 6824.44 272.30 o 8 10 1 15751.99 14943.40 404.66 o 9 10 1 522.20 247.38 552.06 o -9 11 1 1758.51 1627.92 183.43 o -8 11 1 247.03 261.51 133.45 o -7 11 1 1581.71 1650.80 158.47 o -6 11 1 6042.34 5783.82 245.21 o -5 11 1 4131.36 3924.13 199.14 o -4 11 1 4.20 -270.93 349.78 o -3 11 1 895.59 931.75 115.29 o -2 11 1 160.20 -352.50 352.50 o -1 11 1 6052.94 6051.23 209.48 o 0 11 1 13927.25 13630.82 358.70 o 1 11 1 127.82 -338.34 338.34 o 2 11 1 962.27 858.96 114.62 o 4 11 1 2608.39 2417.99 165.97 o 5 11 1 5145.94 5401.81 229.61 o 6 11 1 385.21 281.08 134.81 o 8 11 1 233.58 423.95 113.91 o 9 11 1 0.02 392.24 506.13 o -8 12 1 83.05 -70.77 138.16 o -7 12 1 2846.13 3280.12 217.24 o -6 12 1 1020.23 1030.18 147.65 o -5 12 1 2936.53 2851.98 193.64 o -4 12 1 622.83 520.41 117.97 o -2 12 1 2985.98 3226.07 183.54 o -1 12 1 347.08 -469.13 469.13 o 0 12 1 4364.68 4546.00 141.30 o 1 12 1 252.32 141.54 93.69 o 2 12 1 8.10 72.11 82.22 o 3 12 1 1454.67 1221.90 135.54 o 5 12 1 2624.17 2370.60 196.99 o 7 12 1 29.55 134.79 109.85 o 8 12 1 863.64 808.31 175.95 o -8 13 1 5775.64 5143.12 290.38 o -7 13 1 1535.24 1486.86 197.57 o -6 13 1 3057.13 2960.55 221.30 o -5 13 1 10199.59 10107.97 338.24 o -3 13 1 10862.88 11180.50 339.73 o -2 13 1 3119.37 3477.05 208.50 o -1 13 1 333.16 441.49 116.61 o 0 13 1 27199.14 27094.52 545.55 o 1 13 1 1127.56 1072.05 131.48 o 2 13 1 9315.14 9295.25 315.86 o 3 13 1 94.79 -407.75 407.75 o 4 13 1 716.49 682.89 142.91 o 5 13 1 16549.42 17175.37 467.83 o 6 13 1 627.82 901.27 155.72 o 7 13 1 7751.46 7027.46 327.75 o -4 14 1 294.66 273.65 136.15 o -3 14 1 17187.45 16305.23 446.25 o -1 14 1 1287.40 1314.15 160.48 o 0 14 1 135.64 231.85 589.73 o 2 14 1 12805.73 12732.80 371.07 o 3 14 1 4678.81 4633.21 255.86 o 5 14 1 208.83 282.40 125.36 o 6 14 1 1865.77 1977.98 215.13 o -5 15 1 3600.94 3241.05 248.33 o -4 15 1 38.70 0.00 155.01 o -3 15 1 956.11 1034.86 182.03 o -2 15 1 485.56 611.38 150.99 o -1 15 1 4472.22 4503.15 276.09 o 0 15 1 2931.39 2722.36 159.76 o 1 15 1 1172.12 1158.33 170.58 o 2 15 1 56.16 0.00 551.97 o 3 15 1 98.35 -264.87 418.54 o 4 15 1 1006.93 1095.55 159.11 o -2 16 1 1416.64 1624.34 201.61 o -1 16 1 101.01 142.88 514.24 o 0 16 1 5313.48 5844.96 442.26 o 1 16 1 105.40 127.38 134.79 o -13 0 2 255.37 -332.96 525.73 o -11 0 2 3331.02 3752.59 242.93 o -10 0 2 104.35 235.22 525.03 o -9 0 2 596.83 841.98 138.87 o -8 0 2 10868.04 12027.78 296.07 o -7 0 2 198.73 408.46 93.69 o -6 0 2 79.85 231.18 59.98 o -5 0 2 35.21 -237.91 237.91 o -4 0 2 8156.52 8228.54 130.37 o -3 0 2 50764.99 47190.07 461.39 o -2 0 2 6629.35 6447.53 92.67 o -1 0 2 358.59 401.33 45.87 o 0 0 2 1454.10 1495.91 92.97 o 1 0 2 2406.93 2463.61 67.66 o 2 0 2 62834.24 64862.77 634.01 o 3 0 2 6258.36 6138.33 122.01 o 4 0 2 384.12 395.72 64.04 o 5 0 2 692.93 925.06 77.54 o 6 0 2 10547.11 10493.23 235.88 o 7 0 2 36510.64 37280.70 479.36 o 8 0 2 9457.47 9804.06 278.14 o 9 0 2 418.07 -417.24 643.73 o 11 0 2 5256.23 6075.74 303.18 o 12 0 2 5043.22 4881.25 313.94 o -13 1 2 1862.54 2133.09 225.92 o -12 1 2 6594.22 6523.88 318.86 o -11 1 2 649.30 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