data_2019798
_audit_creation_date             14-09-03
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3242(4)
_cell_length_b                   6.8403(3)
_cell_length_c                   16.447(2)
_cod_data_source_file            ps50396sup7.hkl
_cod_data_source_block           6
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,z+1/2
x+1/2,-y,z
-x,-y,z+1/2
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
_refln_refinement_weight
7 1 -5 41.34 55.52 10.23 o 0.6433E-02
8 1 -5 13.89 30.24 11.29 o 0.6572E-02
6 2 -5 28.55 44.60 6.36 o 0.1253E-01
7 2 -5 115.06 118.07 8.93 o 0.4993E-02
8 2 -5 17.29 0.23 17.49 o 0.3209E-02
5 3 -5 359.33 371.56 25.88 o 0.9261E-03
6 3 -5 54.86 56.80 16.79 o 0.2958E-02
7 3 -5 50.31 71.42 11.64 o 0.4990E-02
3 4 -5 1201.80 1247.76 47.26 o 0.2511E-03
4 4 -5 386.66 386.48 16.14 o 0.1440E-02
5 4 -5 318.06 348.34 16.85 o 0.1520E-02
6 4 -5 44.17 43.71 10.47 o 0.6510E-02
7 4 -5 -3.90 0.23 7.89 o 0.1003E-02
3 5 -5 482.24 520.02 23.78 o 0.8645E-03
4 5 -5 0.95 3.85 8.71 o 0.8229E-03
5 5 -5 10.89 18.92 11.59 o 0.6646E-02
6 5 -5 10.49 18.85 11.49 o 0.6769E-02
4 6 -5 603.15 576.74 28.78 o 0.6551E-03
5 6 -5 14.89 13.78 11.59 o 0.6733E-02
6 0 -4 630.37 657.38 10.96 o 0.1101E-02
8 0 -4 393.20 403.91 12.25 o 0.1662E-02
4 1 -4 515.45 551.14 10.01 o 0.1361E-02
5 1 -4 42.16 48.36 3.01 o 0.1796E-01
6 1 -4 33.49 28.58 3.29 o 0.2450E-01
7 1 -4 204.68 211.32 5.57 o 0.3958E-02
8 1 -4 5.88 11.65 5.22 o 0.1354E-01
3 2 -4 374.12 372.33 12.35 o 0.1756E-02
4 2 -4 157.18 145.13 4.74 o 0.5637E-02
5 2 -4 1308.56 1371.54 14.07 o 0.4608E-03
6 2 -4 286.42 291.54 6.35 o 0.2811E-02
7 2 -4 237.06 224.48 6.37 o 0.3512E-02
8 2 -4 307.38 318.50 7.59 o 0.2479E-02
2 3 -4 1003.34 1020.64 25.91 o 0.4911E-03
3 3 -4 49.41 51.74 3.56 o 0.1561E-01
4 3 -4 350.70 312.94 6.89 o 0.2460E-02
5 3 -4 388.56 401.66 7.54 o 0.1981E-02
6 3 -4 315.91 299.68 7.59 o 0.2556E-02
7 3 -4 57.74 65.68 5.41 o 0.1074E-01
8 3 -4 47.12 45.87 5.34 o 0.1334E-01
0 4 -4 510.32 461.33 19.09 o 0.1091E-02
1 4 -4 39.60 48.90 3.81 o 0.1649E-01
2 4 -4 414.36 418.07 9.15 o 0.1798E-02
3 4 -4 150.42 153.09 5.03 o 0.5434E-02
4 4 -4 41.78 43.19 4.03 o 0.1691E-01
5 4 -4 407.06 379.46 8.87 o 0.1941E-02
6 4 -4 16.34 12.59 4.96 o 0.2614E-01
7 4 -4 312.79 324.72 8.09 o 0.2390E-02
0 5 -4 872.44 909.43 31.68 o 0.4610E-03
1 5 -4 333.00 354.80 11.85 o 0.1901E-02
2 5 -4 556.03 525.76 16.15 o 0.1123E-02
3 5 -4 334.78 340.09 9.88 o 0.2123E-02
4 5 -4 146.04 139.80 7.38 o 0.4965E-02
5 5 -4 301.10 287.85 10.41 o 0.2340E-02
6 5 -4 388.02 379.37 9.19 o 0.1949E-02
1 6 -4 151.49 156.74 12.79 o 0.3077E-02
2 6 -4 10.59 4.87 6.04 o 0.2315E-01
3 6 -4 191.06 191.02 8.89 o 0.3568E-02
4 6 -4 77.87 75.12 6.29 o 0.8571E-02
5 6 -4 2.35 4.84 6.13 o 0.1656E-02
2 7 -4 104.67 88.11 7.36 o 0.6696E-02
4 0 -3 2893.74 2731.66 34.31 o 0.1500E-03
6 0 -3 23.87 29.24 3.80 o 0.2394E-01
8 0 -3 106.69 122.24 6.85 o 0.5977E-02
3 1 -3 1303.32 1348.12 17.17 o 0.4479E-03
4 1 -3 5.64 5.64 1.37 o 0.1016E+00
5 1 -3 1780.55 1760.04 14.70 o 0.3273E-03
6 1 -3 105.71 105.22 3.46 o 0.8334E-02
7 1 -3 33.73 38.11 3.50 o 0.2043E-01
8 1 -3 56.45 57.92 4.59 o 0.1266E-01
9 1 -3 242.74 240.59 7.44 o 0.3182E-02
1 2 -3 418.68 449.02 15.29 o 0.1360E-02
2 2 -3 313.94 277.48 5.97 o 0.2850E-02
3 2 -3 1932.71 1864.32 20.25 o 0.2837E-03
4 2 -3 35.41 40.02 2.19 o 0.2300E-01
5 2 -3 49.54 49.87 2.57 o 0.1766E-01
6 2 -3 124.19 131.17 3.64 o 0.6843E-02
7 2 -3 69.63 60.01 3.65 o 0.1299E-01
8 2 -3 3.23 2.31 4.09 o 0.4137E-01
1 3 -3 202.27 195.67 4.23 o 0.4395E-02
2 3 -3 1729.48 1687.53 22.93 o 0.3101E-03
3 3 -3 672.45 644.24 8.51 o 0.1153E-02
4 3 -3 1048.61 1003.54 12.68 o 0.6536E-03
5 3 -3 63.91 64.65 3.96 o 0.1238E-01
6 3 -3 6.69 4.26 3.88 o 0.2206E-01
7 3 -3 88.48 95.76 4.69 o 0.8524E-02
8 3 -3 126.16 129.95 5.71 o 0.6045E-02
1 4 -3 91.13 94.04 3.16 o 0.9558E-02
2 4 -3 195.14 181.80 4.88 o 0.4546E-02
3 4 -3 1294.65 1339.65 16.17 o 0.4574E-03
4 4 -3 223.82 226.59 6.37 o 0.3552E-02
5 4 -3 939.13 960.47 12.63 o 0.7044E-03
6 4 -3 326.99 332.12 7.37 o 0.2389E-02
7 4 -3 50.53 55.27 4.85 o 0.1291E-01
1 5 -3 236.32 237.40 7.55 o 0.3218E-02
2 5 -3 260.30 243.07 8.34 o 0.2970E-02
3 5 -3 252.51 242.69 8.60 o 0.2954E-02
4 5 -3 232.46 220.77 7.87 o 0.3321E-02
5 5 -3 15.05 19.70 4.71 o 0.2495E-01
6 5 -3 9.59 7.41 4.58 o 0.1128E-01
1 6 -3 95.38 91.74 4.66 o 0.8588E-02
2 6 -3 531.38 493.72 10.97 o 0.1407E-02
3 6 -3 57.93 55.50 4.57 o 0.1290E-01
4 6 -3 168.77 163.98 7.33 o 0.4411E-02
5 6 -3 565.92 576.48 12.63 o 0.1190E-02
2 7 -3 36.22 45.69 4.55 o 0.1573E-01
3 7 -3 434.20 455.01 10.97 o 0.1578E-02
4 0 -2 233.11 209.32 3.84 o 0.4077E-02
6 0 -2 1856.21 1871.30 19.47 o 0.2905E-03
8 0 -2 411.23 433.61 10.56 o 0.1679E-02
1 1 -2 1911.36 0.00 61.95 x 0.0000E+00
2 1 -2 1069.22 1068.10 10.64 o 0.6370E-03
3 1 -2 1441.42 1425.07 12.51 o 0.4371E-03
4 1 -2 135.10 117.61 2.62 o 0.7472E-02
5 1 -2 376.75 379.89 4.60 o 0.2246E-02
6 1 -2 98.99 88.46 3.07 o 0.9724E-02
7 1 -2 326.49 331.35 5.11 o 0.2563E-02
8 1 -2 105.66 101.65 4.68 o 0.7852E-02
9 1 -2 66.33 60.65 5.05 o 0.1130E-01
0 2 -2 3348.28 3379.38 97.63 o 0.5945E-04
1 2 -2 3245.70 3145.98 45.93 o 0.1136E-03
2 2 -2 1008.78 1023.49 11.49 o 0.6652E-03
3 2 -2 24.16 26.10 1.49 o 0.3623E-01
4 2 -2 46.47 46.70 1.94 o 0.1979E-01
5 2 -2 308.47 324.45 4.34 o 0.2705E-02
6 2 -2 382.38 389.87 5.04 o 0.2173E-02
7 2 -2 429.08 460.72 6.32 o 0.1801E-02
8 2 -2 128.60 125.72 4.52 o 0.6610E-02
0 3 -2 3240.51 3361.71 51.29 o 0.1022E-03
1 3 -2 137.60 128.15 2.87 o 0.6955E-02
2 3 -2 60.09 63.81 1.85 o 0.1503E-01
3 3 -2 869.75 856.49 8.74 o 0.8423E-03
4 3 -2 127.64 126.93 3.70 o 0.6894E-02
5 3 -2 305.96 295.53 6.11 o 0.2748E-02
6 3 -2 650.20 650.62 8.90 o 0.1149E-02
7 3 -2 209.06 211.19 5.85 o 0.3880E-02
8 3 -2 170.01 160.73 5.96 o 0.4838E-02
0 4 -2 728.19 687.17 14.41 o 0.9335E-03
1 4 -2 801.95 828.64 10.43 o 0.8673E-03
2 4 -2 283.81 286.84 5.53 o 0.2928E-02
3 4 -2 59.38 63.22 3.17 o 0.1381E-01
4 4 -2 23.20 17.94 3.23 o 0.3334E-01
5 4 -2 17.45 20.31 3.38 o 0.3265E-01
6 4 -2 1.02 6.16 3.73 o 0.4406E-02
7 4 -2 244.27 228.04 6.44 o 0.3433E-02
0 5 -2 1317.81 1305.20 25.59 o 0.3922E-03
1 5 -2 304.94 293.96 8.32 o 0.2538E-02
2 5 -2 436.24 464.97 11.09 o 0.1549E-02
3 5 -2 48.86 60.61 3.98 o 0.1370E-01
4 5 -2 180.73 152.70 6.11 o 0.4854E-02
5 5 -2 103.05 116.73 5.58 o 0.6833E-02
6 5 -2 282.89 288.64 7.11 o 0.2760E-02
1 6 -2 231.50 237.13 6.83 o 0.3349E-02
2 6 -2 270.80 270.72 7.77 o 0.2829E-02
3 6 -2 41.04 48.96 4.20 o 0.1559E-01
4 6 -2 166.17 182.31 6.93 o 0.4285E-02
5 6 -2 16.71 15.02 4.41 o 0.2862E-01
2 7 -2 1.60 4.96 4.02 o 0.3817E-02
3 7 -2 93.28 95.10 5.81 o 0.7678E-02
2 0 -1 2155.54 2098.43 22.91 o 0.2385E-03
4 0 -1 592.38 543.21 7.01 o 0.1407E-02
6 0 -1 844.20 857.76 9.43 o 0.8418E-03
8 0 -1 161.62 152.89 6.98 o 0.4744E-02
1 1 -1 1322.35 0.00 14.36 l 0.0000E+00
2 1 -1 79.36 80.96 1.22 o 0.1204E-01
3 1 -1 9608.40 9735.73 113.61 o 0.1803E-04
4 1 -1 1206.72 1259.87 10.42 o 0.5327E-03
5 1 -1 1218.89 1226.33 9.67 o 0.5468E-03
6 1 -1 0.91 0.79 2.10 o 0.4109E+00
7 1 -1 26.99 22.54 2.75 o 0.3183E-01
8 1 -1 72.94 72.79 4.26 o 0.1087E-01
9 1 -1 253.46 253.36 6.38 o 0.3192E-02
1 2 -1 2167.02 2213.35 20.78 o 0.2328E-03
2 2 -1 343.95 347.42 3.59 o 0.2519E-02
3 2 -1 494.75 495.89 4.41 o 0.1681E-02
4 2 -1 3.21 2.45 1.40 o 0.1939E+00
5 2 -1 258.82 275.20 3.72 o 0.3271E-02
6 2 -1 104.89 108.28 3.02 o 0.8401E-02
7 2 -1 49.59 47.76 3.23 o 0.1696E-01
8 2 -1 189.63 188.07 4.89 o 0.4494E-02
1 3 -1 10.79 3.96 1.03 o 0.1380E+00
2 3 -1 488.43 483.94 5.26 o 0.1697E-02
3 3 -1 365.71 356.57 4.65 o 0.2372E-02
4 3 -1 872.50 925.21 9.65 o 0.7823E-03
5 3 -1 71.40 71.96 3.29 o 0.1196E-01
6 3 -1 138.42 139.65 4.55 o 0.6063E-02
7 3 -1 312.26 309.88 6.87 o 0.2581E-02
8 3 -1 235.67 237.79 6.41 o 0.3385E-02
1 4 -1 1332.15 1300.42 14.47 o 0.4746E-03
2 4 -1 287.14 309.26 4.89 o 0.2826E-02
3 4 -1 900.79 895.48 9.64 o 0.7927E-03
4 4 -1 43.58 46.98 3.22 o 0.1775E-01
5 4 -1 211.21 190.03 5.13 o 0.4261E-02
6 4 -1 115.23 120.76 4.65 o 0.6934E-02
7 4 -1 98.12 109.27 4.97 o 0.7524E-02
1 5 -1 229.75 216.68 5.85 o 0.3710E-02
2 5 -1 305.47 329.13 7.38 o 0.2456E-02
3 5 -1 166.72 157.47 6.05 o 0.4896E-02
4 5 -1 201.14 187.03 6.36 o 0.4120E-02
5 5 -1 186.90 189.06 6.96 o 0.4052E-02
6 5 -1 69.54 70.27 4.58 o 0.1088E-01
1 6 -1 37.95 32.08 3.58 o 0.2138E-01
2 6 -1 450.09 439.05 9.97 o 0.1653E-02
3 6 -1 406.59 382.73 9.64 o 0.1880E-02
4 6 -1 661.23 624.56 13.60 o 0.1045E-02
5 6 -1 19.21 20.82 4.44 o 0.2501E-01
2 7 -1 56.76 44.77 4.76 o 0.1396E-01
3 7 -1 26.05 24.98 4.92 o 0.2025E-01
2 0 0 900.22 871.13 11.29 o 0.7883E-03
4 0 0 117.80 109.80 2.53 o 0.8253E-02
6 0 0 469.83 525.01 6.86 o 0.1570E-02
8 0 0 618.63 668.69 12.09 o 0.1064E-02
1 1 0 4.13 0.00 0.52 l 0.0000E+00
2 1 0 2316.50 2211.82 18.08 o 0.2315E-03
3 1 0 965.10 948.77 7.49 o 0.7586E-03
4 1 0 46.62 31.55 1.37 o 0.2614E-01
5 1 0 710.55 709.06 6.21 o 0.1091E-02
6 1 0 440.35 419.71 5.05 o 0.1959E-02
7 1 0 5.64 3.39 2.60 o 0.5153E-01
8 1 0 3.63 0.37 3.70 o 0.4679E-01
9 1 0 3.97 0.10 4.38 o 0.3148E-01
1 2 0 1780.78 1745.16 15.40 o 0.3271E-03
2 2 0 457.40 475.37 4.71 o 0.1777E-02
3 2 0 19.74 19.45 1.15 o 0.4794E-01
4 2 0 51.45 46.97 1.73 o 0.1943E-01
5 2 0 254.87 283.77 3.62 o 0.3220E-02
6 2 0 283.41 267.79 5.19 o 0.3105E-02
7 2 0 282.94 269.64 5.29 o 0.3074E-02
8 2 0 93.66 91.52 4.13 o 0.8991E-02
0 3 0 9.22 24.28 1.13 o 0.4181E-01
1 3 0 180.72 150.73 2.23 o 0.5800E-02
2 3 0 2181.03 2110.76 17.39 o 0.2494E-03
3 3 0 300.52 330.70 3.84 o 0.2724E-02
4 3 0 293.80 299.67 4.82 o 0.2873E-02
5 3 0 23.30 21.97 2.87 o 0.3277E-01
6 3 0 636.71 626.54 8.61 o 0.1198E-02
7 3 0 133.50 137.40 4.93 o 0.6044E-02
8 3 0 286.48 281.34 7.03 o 0.2797E-02
0 4 0 1574.74 1584.82 24.25 o 0.3302E-03
1 4 0 424.66 450.11 4.78 o 0.1894E-02
2 4 0 0.74 0.48 1.73 o 0.6899E+00
3 4 0 303.45 257.96 4.80 o 0.3139E-02
4 4 0 428.21 434.50 6.30 o 0.1879E-02
5 4 0 468.61 444.27 7.27 o 0.1749E-02
6 4 0 219.37 179.91 5.58 o 0.4254E-02
7 4 0 -0.92 1.88 4.17 o 0.3578E-02
0 5 0 207.84 197.24 5.31 o 0.4162E-02
1 5 0 528.23 507.61 9.86 o 0.1431E-02
2 5 0 109.14 110.05 4.69 o 0.7425E-02
3 5 0 9.42 7.24 3.41 o 0.1935E-01
4 5 0 9.11 3.79 3.90 o 0.1637E-01
5 5 0 48.98 60.59 4.98 o 0.1218E-01
6 5 0 428.41 389.65 8.12 o 0.1923E-02
7 5 0 147.79 167.37 27.98 o 0.1052E-02
1 6 0 8.02 14.78 3.14 o 0.2275E-01
2 6 0 251.19 267.73 7.35 o 0.2967E-02
3 6 0 119.14 107.43 5.70 o 0.6810E-02
4 6 0 90.63 92.65 5.36 o 0.8145E-02
5 6 0 4.27 0.60 4.16 o 0.3192E-01
2 7 0 2.07 9.08 4.03 o 0.4973E-01
3 7 0 91.78 81.83 5.78 o 0.8333E-02
2 0 1 2097.31 2012.44 22.62 o 0.2506E-03
4 0 1 603.85 581.58 6.84 o 0.1334E-02
6 0 1 858.13 878.24 9.71 o 0.8179E-03
8 0 1 168.11 161.66 7.14 o 0.4506E-02
1 1 1 1289.02 0.00 15.43 l 0.0000E+00
2 1 1 84.75 82.06 1.26 o 0.1165E-01
3 1 1 9617.14 9698.58 113.60 o 0.1809E-04
4 1 1 1231.09 1271.85 10.44 o 0.5241E-03
5 1 1 1224.37 1217.47 10.19 o 0.5460E-03
6 1 1 0.50 0.76 2.10 o 0.6427E+00
7 1 1 23.07 21.65 2.70 o 0.3421E-01
8 1 1 64.30 69.57 4.32 o 0.1147E-01
9 1 1 268.12 262.68 6.57 o 0.3043E-02
1 2 1 2144.82 2170.78 18.85 o 0.2422E-03
2 2 1 341.50 347.20 3.72 o 0.2521E-02
3 2 1 468.18 475.60 4.46 o 0.1769E-02
4 2 1 -0.17 1.25 1.43 o 0.3000E-01
5 2 1 259.19 277.39 3.89 o 0.3238E-02
6 2 1 109.73 113.08 3.12 o 0.8014E-02
7 2 1 53.62 49.70 3.26 o 0.1618E-01
8 2 1 196.71 192.83 4.91 o 0.4369E-02
1 3 1 9.34 3.85 0.91 o 0.1142E+00
2 3 1 508.35 511.57 5.19 o 0.1607E-02
3 3 1 368.63 364.40 4.62 o 0.2331E-02
4 3 1 876.82 923.55 10.10 o 0.7766E-03
5 3 1 70.35 72.58 3.48 o 0.1176E-01
6 3 1 133.47 136.92 4.45 o 0.6240E-02
7 3 1 311.05 308.57 6.93 o 0.2585E-02
8 3 1 210.33 228.05 6.24 o 0.3624E-02
1 4 1 1368.72 1324.88 13.92 o 0.4659E-03
2 4 1 288.72 300.25 4.49 o 0.2912E-02
3 4 1 868.32 891.82 9.76 o 0.8050E-03
4 4 1 46.07 48.66 3.96 o 0.1571E-01
5 4 1 209.89 183.29 5.16 o 0.4360E-02
6 4 1 114.06 120.97 4.73 o 0.6912E-02
7 4 1 96.84 107.16 4.92 o 0.7669E-02
1 5 1 220.87 218.52 6.43 o 0.3641E-02
2 5 1 311.00 339.53 7.99 o 0.2340E-02
3 5 1 144.67 145.92 5.88 o 0.5387E-02
4 5 1 185.54 170.32 6.39 o 0.4451E-02
5 5 1 202.68 194.66 6.84 o 0.3916E-02
6 5 1 73.97 68.13 4.69 o 0.1077E-01
1 6 1 37.00 31.70 3.53 o 0.2180E-01
2 6 1 459.13 441.09 9.97 o 0.1637E-02
3 6 1 409.27 389.22 9.66 o 0.1856E-02
4 6 1 664.57 616.44 13.41 o 0.1058E-02
5 6 1 26.80 21.55 4.54 o 0.2279E-01
2 7 1 53.18 44.61 4.73 o 0.1429E-01
3 7 1 24.36 26.18 4.75 o 0.2082E-01
4 0 2 219.41 198.97 3.63 o 0.4335E-02
6 0 2 1869.74 1904.99 20.84 o 0.2808E-03
8 0 2 426.89 427.05 10.52 o 0.1678E-02
1 1 2 1999.00 2174.97 61.65 o 0.1341E-03
2 1 2 1047.66 1051.38 10.10 o 0.6551E-03
3 1 2 1423.55 1424.01 10.96 o 0.4468E-03
4 1 2 139.78 120.82 2.49 o 0.7292E-02
5 1 2 369.19 373.82 4.46 o 0.2295E-02
6 1 2 91.13 80.64 3.02 o 0.1061E-01
7 1 2 327.87 318.41 5.45 o 0.2606E-02
8 1 2 99.57 98.60 4.51 o 0.8234E-02
9 1 2 59.66 65.34 4.83 o 0.1145E-01
0 2 2 2842.16 3346.02 91.23 o 0.6673E-04
1 2 2 3333.71 3185.79 40.88 o 0.1171E-03
2 2 2 967.23 1007.34 10.72 o 0.6923E-03
3 2 2 26.50 27.83 1.43 o 0.3403E-01
4 2 2 46.34 45.26 1.80 o 0.2041E-01
5 2 2 321.74 341.97 4.19 o 0.2576E-02
6 2 2 389.59 398.67 5.30 o 0.2112E-02
7 2 2 446.36 476.06 6.63 o 0.1723E-02
8 2 2 129.40 126.86 4.43 o 0.6596E-02
0 3 2 3331.77 3370.57 42.96 o 0.1096E-03
1 3 2 137.98 125.20 2.63 o 0.7120E-02
2 3 2 70.58 73.70 1.86 o 0.1297E-01
3 3 2 861.24 859.88 8.58 o 0.8448E-03
4 3 2 120.48 134.90 3.05 o 0.6952E-02
5 3 2 311.92 297.66 5.99 o 0.2728E-02
6 3 2 617.77 623.79 9.29 o 0.1197E-02
7 3 2 209.45 207.45 5.71 o 0.3946E-02
8 3 2 170.88 156.15 5.93 o 0.4920E-02
0 4 2 725.05 683.24 13.52 o 0.9607E-03
1 4 2 781.63 808.57 10.84 o 0.8849E-03
2 4 2 281.74 290.54 4.89 o 0.2968E-02
3 4 2 61.99 63.09 2.80 o 0.1408E-01
4 4 2 16.47 16.82 3.18 o 0.3749E-01
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5 5 2 117.87 122.17 6.62 o 0.5947E-02
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5 6 2 20.83 15.52 4.38 o 0.2747E-01
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3 7 2 90.93 92.87 5.68 o 0.7914E-02
4 0 3 2898.92 2746.75 31.97 o 0.1527E-03
6 0 3 31.01 26.11 3.57 o 0.2478E-01
8 0 3 100.48 115.10 6.78 o 0.6287E-02
2 1 3 2698.02 6888.08 58.80 x 0.0000E+00
3 1 3 1364.93 1414.84 14.49 o 0.4395E-03
4 1 3 8.65 8.11 1.37 o 0.6815E-01
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7 1 3 36.36 37.95 3.39 o 0.2041E-01
8 1 3 55.08 58.33 4.40 o 0.1298E-01
9 1 3 251.51 238.70 6.56 o 0.3292E-02
1 2 3 409.79 442.88 10.11 o 0.1682E-02
2 2 3 311.55 291.26 6.23 o 0.2746E-02
3 2 3 1881.79 1843.41 17.23 o 0.2993E-03
4 2 3 31.02 36.06 1.96 o 0.2609E-01
5 2 3 57.61 54.89 2.59 o 0.1588E-01
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8 2 3 1.88 1.83 4.26 o 0.6458E-01
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2 3 3 1763.60 1712.76 19.49 o 0.3184E-03
3 3 3 667.17 639.37 7.45 o 0.1186E-02
4 3 3 1044.15 999.67 10.50 o 0.6792E-03
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8 3 3 141.92 135.55 5.74 o 0.5696E-02
1 4 3 84.94 86.23 3.43 o 0.1012E-01
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3 4 3 1314.18 1323.42 14.94 o 0.4673E-03
4 4 3 224.67 228.01 5.26 o 0.3704E-02
5 4 3 952.41 984.02 12.01 o 0.6952E-03
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7 4 3 49.92 56.62 5.07 o 0.1244E-01
1 5 3 251.88 247.78 6.95 o 0.3163E-02
2 5 3 273.19 234.69 7.57 o 0.3098E-02
3 5 3 255.38 248.39 8.43 o 0.2931E-02
4 5 3 200.47 216.47 7.50 o 0.3571E-02
5 5 3 17.84 19.86 5.65 o 0.1965E-01
6 5 3 9.07 7.29 5.07 o 0.9883E-02
1 6 3 86.10 90.54 4.82 o 0.8785E-02
2 6 3 482.64 477.30 11.80 o 0.1443E-02
3 6 3 59.42 56.81 4.84 o 0.1228E-01
4 6 3 173.10 174.02 8.02 o 0.4058E-02
5 6 3 569.34 580.25 14.03 o 0.1133E-02
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3 7 3 413.89 448.38 10.83 o 0.1623E-02
4 0 4 1367.84 1450.65 26.49 o 0.3552E-03
6 0 4 655.94 674.48 10.12 o 0.1087E-02
8 0 4 402.40 413.86 11.27 o 0.1691E-02
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5 1 4 48.54 48.44 2.81 o 0.1762E-01
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8 1 4 16.63 13.60 5.33 o 0.2326E-01
3 2 4 362.90 373.85 8.27 o 0.2075E-02
4 2 4 152.34 144.68 4.02 o 0.5917E-02
5 2 4 1328.23 1359.88 13.30 o 0.4658E-03
6 2 4 294.59 295.00 5.98 o 0.2799E-02
7 2 4 259.18 236.23 6.38 o 0.3306E-02
8 2 4 308.78 315.83 8.14 o 0.2436E-02
1 3 4 1011.04 1081.74 32.28 o 0.4034E-03
2 3 4 1036.19 1010.79 19.35 o 0.5725E-03
3 3 4 57.69 51.05 3.08 o 0.1580E-01
4 3 4 337.73 304.36 5.43 o 0.2658E-02
5 3 4 377.76 402.30 7.38 o 0.2007E-02
6 3 4 299.09 294.95 6.65 o 0.2722E-02
7 3 4 55.82 68.26 5.31 o 0.1074E-01
8 3 4 58.24 47.20 6.22 o 0.1112E-01
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1 4 4 41.97 42.65 3.03 o 0.1932E-01
2 4 4 420.76 423.74 8.19 o 0.1828E-02
3 4 4 144.37 155.17 4.75 o 0.5539E-02
4 4 4 30.65 44.47 3.17 o 0.1999E-01
5 4 4 419.40 392.47 8.06 o 0.1931E-02
6 4 4 13.53 11.84 4.27 o 0.3276E-01
7 4 4 329.15 324.97 8.78 o 0.2289E-02
0 5 4 919.71 930.19 30.38 o 0.4680E-03
1 5 4 358.88 354.12 11.13 o 0.1924E-02
2 5 4 528.80 526.19 15.16 o 0.1180E-02
3 5 4 326.93 337.09 9.44 o 0.2189E-02
4 5 4 136.37 143.67 7.26 o 0.5025E-02
5 5 4 265.88 276.21 9.56 o 0.2583E-02
6 5 4 375.73 370.02 9.14 o 0.2003E-02
1 6 4 159.28 162.86 8.49 o 0.4151E-02
2 6 4 11.59 7.06 4.95 o 0.3030E-01
3 6 4 168.14 188.11 7.46 o 0.4063E-02
4 6 4 77.48 75.60 5.55 o 0.9249E-02
5 6 4 7.36 4.85 4.67 o 0.1430E-01
2 7 4 78.49 87.90 7.24 o 0.7227E-02
6 0 5 161.88 154.70 7.03 o 0.4698E-02
8 0 5 133.40 115.90 10.10 o 0.4385E-02
5 1 5 317.06 858.58 15.69 x 0.0000E+00
6 1 5 19.43 31.20 3.83 o 0.2404E-01
7 1 5 63.16 57.08 4.95 o 0.1192E-01
8 1 5 55.30 31.12 6.44 o 0.1239E-01
5 2 5 1723.79 1721.86 23.87 o 0.3015E-03
6 2 5 31.28 43.62 3.86 o 0.1835E-01
7 2 5 103.89 115.61 5.44 o 0.6932E-02
8 2 5 4.92 0.46 5.62 o 0.1559E-01
3 3 5 28.43 63.64 3.22 o 0.1582E-01
4 3 5 155.51 172.15 5.80 o 0.4804E-02
5 3 5 352.51 366.58 9.33 o 0.2041E-02
6 3 5 58.93 56.14 4.87 o 0.1235E-01
7 3 5 62.50 71.46 5.44 o 0.1013E-01
8 3 5 46.49 33.69 8.72 o 0.8766E-02
1 4 5 88.93 396.61 7.09 x 0.0000E+00
2 4 5 135.80 163.83 10.29 o 0.3758E-02
3 4 5 1240.74 1261.36 20.53 o 0.4523E-03
4 4 5 351.94 376.90 8.93 o 0.2037E-02
5 4 5 318.12 334.93 9.86 o 0.2173E-02
6 4 5 59.28 43.61 6.33 o 0.1121E-01
7 4 5 10.91 0.28 7.64 o 0.1611E-01
1 5 5 73.84 68.25 8.19 o 0.7240E-02
3 5 5 501.22 522.84 14.98 o 0.1210E-02
4 5 5 6.10 5.73 5.14 o 0.1428E-01
5 5 5 25.78 22.31 5.73 o 0.1778E-01
6 5 5 15.31 17.66 5.68 o 0.2051E-01
1 6 5 254.61 264.67 15.69 o 0.1896E-02
2 6 5 196.45 151.36 14.99 o 0.2506E-02
3 6 5 463.10 440.53 15.23 o 0.1343E-02
4 6 5 561.53 577.11 17.74 o 0.1006E-02
5 6 5 22.38 12.11 6.30 o 0.1809E-01
2 7 5 67.15 80.78 10.39 o 0.5405E-02
5 5 6 -1.30 374.92 9.09 x 0.0000E+00