data_r2v85sf
# 
loop_
_audit.revision_id 
_audit.creation_date 
_audit.update_record 
1_0 2007-08-02 'Initial release'                        
1_1 2012-06-01 'Format standardization'                 
4_0 2013-02-27 'Format standardization and re-release.' 
# 
_cell.entry_id      2v85 
_cell.length_a      76.711 
_cell.length_b      46.936 
_cell.length_c      56.955 
_cell.angle_alpha   90.00 
_cell.angle_beta    103.65 
_cell.angle_gamma   90.00 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97182 
# 
_entry.id   2v85 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               2v85 
_symmetry.space_group_name_H-M   'C 1 2 1' 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 X,Y,Z          
2 -X,Y,-Z        
3 1/2+X,1/2+Y,Z  
4 1/2-X,1/2+Y,-Z 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
1 1 1    0    0    2 o  10.6600 0.240000 
1 1 1    0    0    3 o  7.45000 0.270000 
1 1 1    0    0    4 o  44.5300 0.660000 
1 1 1    0    0    5 o  12.1400 0.330000 
1 1 1    0    0    6 o  7.16000 0.310000 
1 1 1    0    0    7 o  6.22000 0.360000 
1 1 1    0    0    8 o  25.9500 0.550000 
1 1 1    0    0    9 o  12.9800 0.390000 
1 1 1    0    0   10 o  7.32000 0.590000 
1 1 1    0    0   11 o  22.5700 0.460000 
1 1 1    0    0   12 o  43.3100 0.740000 
1 1 1    0    0   13 o  13.2600 0.440000 
1 1 1    0    0   14 o  23.4200 0.570000 
1 1 1    0    0   15 o  4.68000 1.09000 
1 1 1    0    0   16 o  30.1800 0.690000 
1 1 1    0    0   17 x        0      0 
1 1 1    0    0   18 o  17.7300 0.740000 
1 1 1    0    0   19 o  15.8700 0.570000 
1 1 1    0    0   20 x        0      0 
1 1 1    0    0   21 o  5.63000 1.71000 
1 1 1    0    0   22 o  26.6800 0.730000 
1 1 1    0    0   23 o  14.0600 0.660000 
1 1 1    0    0   24 o  12.6400 0.730000 
1 1 1    0    0   25 o  12.5500 1.16000 
1 1 1    0    0   26 o  8.98000 1.07000 
1 1 1    0    0   27 o  5.04000 3.34000 
1 1 1    0    2    0 o  17.4400 0.210000 
1 1 1    0    2    1 o  15.4200 0.200000 
1 1 1    0    2    2 o  6.67000 0.140000 
1 1 1    0    2    3 o  23.6500 0.310000 
1 1 1    0    2    4 o  6.04000 0.220000 
1 1 1    0    2    5 o  11.3400 0.220000 
1 1 1    0    2    6 o  43.1700 0.570000 
1 1 1    0    2    7 o  25.8100 0.440000 
1 1 1    0    2    8 f  46.9000 0.610000 
1 1 1    0    2    9 o  16.0000 0.340000 
1 1 1    0    2   10 o  20.1900 0.390000 
1 1 1    0    2   11 o  25.0400 0.400000 
1 1 1    0    2   12 o  22.4000 0.410000 
1 1 1    0    2   13 o  50.3100 0.670000 
1 1 1    0    2   14 o  2.02000 2.02000 
1 1 1    0    2   15 o  23.9200 0.380000 
1 1 1    0    2   16 o  25.6000 0.530000 
1 1 1    0    2   17 o  12.4600 0.450000 
1 1 1    0    2   18 o  15.8800 0.530000 
1 1 1    0    2   19 o  32.6500 0.470000 
1 1 1    0    2   20 o  25.5800 0.450000 
1 1 1    0    2   21 o  22.0100 0.560000 
1 1 1    0    2   22 o  8.14000 0.560000 
1 1 1    0    2   23 o  19.8600 0.440000 
1 1 1    0    2   24 o  13.7600 0.470000 
1 1 1    0    2   25 o  7.29000 0.830000 
1 1 1    0    2   26 o  4.67000 1.32000 
1 1 1    0    2   27 o  4.30000 1.60000 
1 1 1    0    4    0 o  35.1500 0.500000 
1 1 1    0    4    1 o  21.7900 0.300000 
1 1 1    0    4    2 f  20.2200 0.290000 
1 1 1    0    4    3 o  10.7800 0.200000 
1 1 1    0    4    4 o  44.0200 0.500000 
1 1 1    0    4    5 o  44.8800 0.500000 
1 1 1    0    4    6 o  15.5700 0.320000 
1 1 1    0    4    7 o  8.69000 0.230000 
1 1 1    0    4    8 f  22.6000 0.410000 
1 1 1    0    4    9 o  34.7600 0.430000 
1 1 1    0    4   10 o  42.3000 0.490000 
1 1 1    0    4   11 o  14.6200 0.300000 
1 1 1    0    4   12 o  41.7000 0.580000 
1 1 1    0    4   13 o  50.0600 0.660000 
1 1 1    0    4   14 o  18.9000 0.410000 
1 1 1    0    4   15 f  13.4600 0.420000 
1 1 1    0    4   16 o  18.4800 0.420000 
1 1 1    0    4   17 o  18.5200 0.380000 
1 1 1    0    4   18 o  29.3900 0.540000 
1 1 1    0    4   19 o  7.65000 0.590000 
1 1 1    0    4   20 o  31.9800 0.550000 
1 1 1    0    4   21 o  11.0500 0.540000 
1 1 1    0    4   22 o  3.91000 1.19000 
1 1 1    0    4   23 o  21.5100 0.560000 
1 1 1    0    4   24 o  18.7900 0.500000 
1 1 1    0    4   25 o  2.47000 2.47000 
1 1 1    0    4   26 o  24.6500 0.500000 
1 1 1    0    4   27 o  8.67000 0.650000 
1 1 1    0    6    0 o  38.5100 0.580000 
1 1 1    0    6    1 o  6.66000 0.200000 
1 1 1    0    6    2 o  21.1900 0.260000 
1 1 1    0    6    3 o  5.71000 0.240000 
1 1 1    0    6    4 o  22.9400 0.290000 
1 1 1    0    6    5 o  14.2100 0.250000 
1 1 1    0    6    6 o  8.72000 0.240000 
1 1 1    0    6    7 o  11.7000 0.250000 
1 1 1    0    6    8 o  29.1800 0.400000 
1 1 1    0    6    9 o  36.6100 0.560000 
1 1 1    0    6   10 o  40.5200 0.550000 
1 1 1    0    6   11 o  56.3700 0.630000 
1 1 1    0    6   12 o  41.8600 0.520000 
1 1 1    0    6   13 o  18.2900 0.370000 
1 1 1    0    6   14 o  24.3400 0.390000 
1 1 1    0    6   15 o  26.0400 0.500000 
1 1 1    0    6   16 o  12.3900 0.440000 
1 1 1    0    6   17 o  19.8600 0.410000 
1 1 1    0    6   18 o  31.0500 0.510000 
1 1 1    0    6   19 o  7.11000 0.600000 
1 1 1    0    6   20 o  24.2500 0.450000 
1 1 1    0    6   21 o  8.48000 0.590000 
1 1 1    0    6   22 o  6.03000 0.810000 
1 1 1    0    6   23 o  9.26000 0.520000 
1 1 1    0    6   24 o  5.10000 1.10000 
1 1 1    0    6   25 o  9.12000 0.730000 
1 1 1    0    6   26 o  8.95000 0.740000 
1 1 1    0    8    0 o  36.0100 0.530000 
1 1 1    0    8    1 o  8.67000 0.190000 
1 1 1    0    8    2 o  2.76000 0.310000 
1 1 1    0    8    3 o  13.1300 0.370000 
1 1 1    0    8    4 o  9.18000 0.250000 
1 1 1    0    8    5 o  38.6800 0.520000 
1 1 1    0    8    6 o  37.5700 0.430000 
1 1 1    0    8    7 o  9.33000 0.340000 
1 1 1    0    8    8 o  30.8500 0.400000 
1 1 1    0    8    9 o  23.8700 0.340000 
1 1 1    0    8   10 o  36.2100 0.480000 
1 1 1    0    8   11 o  68.5100 0.720000 
1 1 1    0    8   12 o  32.3600 0.520000 
1 1 1    0    8   13 o  26.4100 0.410000 
1 1 1    0    8   14 o  22.3200 0.430000 
1 1 1    0    8   15 o  36.2000 0.540000 
1 1 1    0    8   16 o  15.4400 0.410000 
1 1 1    0    8   17 o  15.0900 0.450000 
1 1 1    0    8   18 o  10.8100 0.460000 
1 1 1    0    8   19 o  19.4300 0.460000 
1 1 1    0    8   20 o  4.29000 1.11000 
1 1 1    0    8   21 o  19.6800 0.480000 
1 1 1    0    8   22 o  11.7800 0.560000 
1 1 1    0    8   23 o  20.6700 0.480000 
1 1 1    0    8   24 o  8.80000 0.620000 
1 1 1    0    8   25 f  20.0800 0.400000 
1 1 1    0    8   26 f  2.19000 2.19000 
1 1 1    0   10    0 o  45.7100 0.750000 
1 1 1    0   10    1 f  11.1000 0.380000 
1 1 1    0   10    2 o  13.4500 0.260000 
1 1 1    0   10    3 o  31.5700 0.480000 
1 1 1    0   10    4 o  21.3600 0.320000 
1 1 1    0   10    5 o  26.8700 0.420000 
1 1 1    0   10    6 o  26.8900 0.450000 
1 1 1    0   10    7 o  35.3000 0.440000 
1 1 1    0   10    8 o  57.4800 0.570000 
1 1 1    0   10    9 o  33.6400 0.410000 
1 1 1    0   10   10 o  32.5000 0.430000 
1 1 1    0   10   11 o  30.6300 0.470000 
1 1 1    0   10   12 o  12.5100 0.340000 
1 1 1    0   10   13 o  25.0700 0.400000 
1 1 1    0   10   14 o  23.7400 0.340000 
1 1 1    0   10   15 o  17.8900 0.390000 
1 1 1    0   10   16 o  10.1300 0.490000 
1 1 1    0   10   17 o  22.6000 0.400000 
1 1 1    0   10   18 o  28.7500 0.450000 
1 1 1    0   10   19 f  16.3400 0.400000 
1 1 1    0   10   20 f  3.41000 1.43000 
1 1 1    0   10   21 o  13.7900 0.510000 
1 1 1    0   10   22 o  14.9200 0.510000 
1 1 1    0   10   23 o  8.51000 0.690000 
1 1 1    0   10   24 o  2.14000 2.14000 
1 1 1    0   10   25 o  4.48000 1.27000 
1 1 1    0   12    0 o  48.8600 0.700000 
1 1 1    0   12    1 o  61.1200 0.580000 
1 1 1    0   12    2 o  36.6900 0.500000 
1 1 1    0   12    3 f  31.0700 0.380000 
1 1 1    0   12    4 o  24.6200 0.350000 
1 1 1    0   12    5 o  24.9200 0.350000 
1 1 1    0   12    6 o  54.4100 0.610000 
1 1 1    0   12    7 o  15.9900 0.350000 
1 1 1    0   12    8 o  16.4100 0.370000 
1 1 1    0   12    9 o  9.18000 0.350000 
1 1 1    0   12   10 o  20.3000 0.380000 
1 1 1    0   12   11 o  32.1500 0.400000 
1 1 1    0   12   12 o  41.5400 0.460000 
1 1 1    0   12   13 o  6.16000 0.530000 
1 1 1    0   12   14 o  24.3100 0.440000 
1 1 1    0   12   15 o  16.5300 0.360000 
1 1 1    0   12   16 o  23.6700 0.420000 
1 1 1    0   12   17 o  7.69000 0.570000 
1 1 1    0   12   18 o  13.4600 0.460000 
1 1 1    0   12   19 o  6.82000 0.730000 
1 1 1    0   12   20 o  17.3900 0.450000 
1 1 1    0   12   21 o  5.81000 0.870000 
1 1 1    0   12   22 o  10.6400 0.530000 
1 1 1    0   12   23 o  9.77000 0.640000 
1 1 1    0   14    0 o  19.4700 0.410000 
1 1 1    0   14    1 o  49.8200 0.600000 
1 1 1    0   14    2 o  34.4500 0.490000 
1 1 1    0   14    3 o  50.9200 0.500000 
1 1 1    0   14    4 o  27.4800 0.460000 
1 1 1    0   14    5 o  24.6400 0.350000 
1 1 1    0   14    6 o  39.7500 0.420000 
1 1 1    0   14    7 f  16.3800 0.370000 
1 1 1    0   14    8 o  11.3000 0.310000 
1 1 1    0   14    9 o  14.2200 0.380000 
1 1 1    0   14   10 o  21.2600 0.420000 
1 1 1    0   14   11 o  10.4700 0.410000 
1 1 1    0   14   12 o  22.0200 0.380000 
1 1 1    0   14   13 o  6.69000 0.560000 
1 1 1    0   14   14 o  10.6400 0.430000 
1 1 1    0   14   15 o  2.37000 2.37000 
1 1 1    0   14   16 o  10.5700 0.430000 
1 1 1    0   14   17 o  12.9700 0.480000 
1 1 1    0   14   18 o  7.58000 0.630000 
1 1 1    0   14   19 o  10.7200 0.550000 
1 1 1    0   14   20 o  20.8500 0.440000 
1 1 1    0   14   21 o 0.890000 0.890000 
1 1 1    0   14   22 o  11.9700 0.450000 
1 1 1    0   16    0 o  16.0200 0.360000 
1 1 1    0   16    1 o  27.8700 0.330000 
1 1 1    0   16    2 o  23.7300 0.350000 
1 1 1    0   16    3 o  23.4200 0.370000 
1 1 1    0   16    4 o  28.8500 0.360000 
1 1 1    0   16    5 o  14.8200 0.330000 
1 1 1    0   16    6 o  10.5900 0.400000 
1 1 1    0   16    7 o  10.1200 0.340000 
1 1 1    0   16    8 o  4.68000 0.510000 
1 1 1    0   16    9 o  5.57000 0.490000 
1 1 1    0   16   10 f  35.6000 0.440000 
1 1 1    0   16   11 o  30.1000 0.420000 
1 1 1    0   16   12 o  16.8100 0.330000 
1 1 1    0   16   13 o  31.0700 0.380000 
1 1 1    0   16   14 o  1.82000 1.82000 
1 1 1    0   16   15 o  19.4500 0.360000 
1 1 1    0   16   16 o  17.2000 0.380000 
1 1 1    0   16   17 o  13.3800 0.390000 
1 1 1    0   16   18 o  17.1900 0.360000 
1 1 1    0   16   19 f  9.90000 0.550000 
1 1 1    0   16   20 o  13.8600 0.460000 
1 1 1    0   18    0 f  35.7400 0.570000 
1 1 1    0   18    1 o  23.5800 0.310000 
1 1 1    0   18    2 o  13.8200 0.290000 
1 1 1    0   18    3 o  19.6800 0.390000 
1 1 1    0   18    4 o  10.9100 0.370000 
1 1 1    0   18    5 o  23.2600 0.420000 
1 1 1    0   18    6 o  5.43000 0.420000 
1 1 1    0   18    7 o  6.53000 0.450000 
1 1 1    0   18    8 o  2.98000 0.930000 
1 1 1    0   18    9 o  10.7500 0.380000 
1 1 1    0   18   10 o  12.6800 0.420000 
1 1 1    0   18   11 o  9.02000 0.420000 
1 1 1    0   18   12 o  6.34000 0.640000 
1 1 1    0   18   13 o  16.4800 0.410000 
1 1 1    0   18   14 o  5.50000 0.630000 
1 1 1    0   18   15 o  4.93000 0.930000 
1 1 1    0   18   16 f  5.00000 0.840000 
1 1 1    0   18   17 o  12.2100 0.480000 
1 1 1    0   20    0 o  16.1900 0.570000 
1 1 1    0   20    1 o  17.8500 0.390000 
1 1 1    0   20    2 o  2.68000 1.34000 
1 1 1    0   20    3 o  13.0000 0.280000 
1 1 1    0   20    4 o  3.44000 0.700000 
1 1 1    0   20    5 o  9.58000 0.330000 
1 1 1    0   20    6 o  10.3000 0.390000 
1 1 1    0   20    7 o  14.0500 0.390000 
1 1 1    0   20    8 o  11.3300 0.430000 
1 1 1    0   20    9 o  7.11000 0.530000 
1 1 1    0   20   10 o  14.3600 0.410000 
1 1 1    0   20   11 o  13.0900 0.390000 
1 1 1    0   20   12 o  11.4800 0.470000 
1 1 1    0   20   13 o  7.77000 0.540000 
1 1 1    0   20   14 f  14.6800 0.410000 
1 1 1    0   22    0 o  16.5200 0.400000 
1 1 1    0   22    1 f  4.45000 0.560000 
1 1 1    0   22    2 o  4.85000 0.530000 
1 1 1    0   22    3 o  9.91000 0.320000 
1 1 1    0   22    4 o  10.9400 0.440000 
1 1 1    0   22    5 o  12.7200 0.450000 
1 1 1    0   22    6 o  21.5200 0.550000 
1 1 1    0   22    7 o  9.24000 0.470000 
1 1 1    0   22    8 o  16.6300 0.410000 
1 1 1    0   22    9 f  9.41000 0.450000 
1 1 1   -1    1   27 o  11.1000 0.490000 
1 1 1   -1    1   26 o  6.69000 0.790000 
1 1 1   -1    1   25 o  13.2800 0.440000 
1 1 1   -1    1   24 o  20.8400 0.460000 
1 1 1   -1    1   23 o  15.1100 0.500000 
1 1 1   -1    1   22 o  27.2600 0.550000 
1 1 1   -1    1   21 o  9.60000 0.450000 
1 1 1   -1    1   20 o  12.4300 0.440000 
1 1 1   -1    1   19 o  29.4100 0.480000 
1 1 1   -1    1   18 f  19.1100 0.350000 
1 1 1   -1    1   17 o  21.0200 0.400000 
1 1 1   -1    1   16 o  30.8900 0.470000 
1 1 1   -1    1   15 o  36.3800 0.540000 
1 1 1   -1    1   14 o  11.3400 0.290000 
1 1 1   -1    1   13 f  9.41000 0.350000 
1 1 1   -1    1   12 o  27.2500 0.380000 
1 1 1   -1    1   11 o  18.6000 0.320000 
1 1 1   -1    1   10 o  49.6100 0.550000 
1 1 1   -1    1    9 o  36.6100 0.440000 
1 1 1   -1    1    8 o  19.8000 0.340000 
1 1 1   -1    1    7 o  16.6700 0.260000 
1 1 1   -1    1    6 o  21.3900 0.340000 
1 1 1   -1    1    5 f  33.2700 0.430000 
1 1 1   -1    1    4 o  16.9800 0.240000 
1 1 1   -1    1    3 f  16.2200 0.220000 
1 1 1   -1    1    2 o  6.37000 0.100000 
1 1 1   -1    1    1 o  22.1900 0.270000 
1 1 1    1    1    0 o  28.9700 0.330000 
1 1 1    1    1    1 o  37.5300 0.370000 
1 1 1    1    1    2 o  18.2500 0.180000 
1 1 1    1    1    3 o  28.1600 0.310000 
1 1 1    1    1    4 o  22.9000 0.290000 
1 1 1    1    1    5 o  12.3900 0.240000 
1 1 1    1    1    6 o  25.8500 0.350000 
1 1 1    1    1    7 o  3.42000 0.320000 
1 1 1    1    1    8 o  27.3300 0.470000 
1 1 1    1    1    9 o  62.0800 0.670000 
1 1 1    1    1   10 o  20.2100 0.360000 
1 1 1    1    1   11 o  4.81000 0.390000 
1 1 1    1    1   12 o  36.2800 0.540000 
1 1 1    1    1   13 o  27.4100 0.520000 
1 1 1    1    1   14 o  29.1100 0.450000 
1 1 1    1    1   15 o  21.1800 0.500000 
1 1 1    1    1   16 o  21.4200 0.450000 
1 1 1    1    1   17 o  32.5000 0.480000 
1 1 1    1    1   18 o  25.6700 0.480000 
1 1 1    1    1   19 o  20.9600 0.480000 
1 1 1    1    1   20 o  18.6000 0.390000 
1 1 1    1    1   21 o  10.4500 0.510000 
1 1 1    1    1   22 o  6.88000 0.740000 
1 1 1    1    1   23 o  14.2500 0.470000 
1 1 1    1    1   24 o  19.5400 0.570000 
1 1 1    1    1   25 o  15.0600 0.510000 
1 1 1    1    1   26 o  7.76000 0.770000 
1 1 1    1    1   27 o  12.2100 0.540000 
1 1 1   -1    3   27 o  10.4400 0.660000 
1 1 1   -1    3   26 o  2.19000 2.19000 
1 1 1   -1    3   25 o  13.4500 0.530000 
1 1 1   -1    3   24 o  21.2900 0.460000 
1 1 1   -1    3   23 o  24.0500 0.440000 
1 1 1   -1    3   22 o  35.4000 0.440000 
1 1 1   -1    3   21 o  9.50000 0.490000 
1 1 1   -1    3   20 o  20.6500 0.420000 
1 1 1   -1    3   19 o  33.9900 0.480000 
1 1 1   -1    3   18 o  24.9600 0.410000 
1 1 1   -1    3   17 o  33.2300 0.450000 
1 1 1   -1    3   16 o  13.7000 0.390000 
1 1 1   -1    3   15 f  47.0500 0.550000 
1 1 1   -1    3   14 o  27.3100 0.430000 
1 1 1   -1    3   13 o  16.1800 0.350000 
1 1 1   -1    3   12 o  63.4400 0.620000 
1 1 1   -1    3   11 o  44.2200 0.520000 
1 1 1   -1    3   10 o  25.9400 0.400000 
1 1 1   -1    3    9 o  17.2900 0.290000 
1 1 1   -1    3    8 o  35.0600 0.430000 
1 1 1   -1    3    7 o  27.7100 0.350000 
1 1 1   -1    3    6 o  27.3600 0.350000 
1 1 1   -1    3    5 o  31.6100 0.390000 
1 1 1   -1    3    4 o  39.4600 0.390000 
1 1 1   -1    3    3 o  18.9700 0.270000 
1 1 1   -1    3    2 o  13.1400 0.180000 
1 1 1   -1    3    1 o  44.4000 0.450000 
1 1 1    1    3    0 o  22.3200 0.250000 
1 1 1    1    3    1 o  35.1200 0.320000 
1 1 1    1    3    2 o  15.3400 0.220000 
1 1 1    1    3    3 o  9.66000 0.210000 
1 1 1    1    3    4 o  27.8200 0.330000 
1 1 1    1    3    5 o  7.74000 0.220000 
1 1 1    1    3    6 o  21.2600 0.320000 
1 1 1    1    3    7 o  8.43000 0.260000 
1 1 1    1    3    8 o  30.2700 0.380000 
1 1 1    1    3    9 o  23.9000 0.330000 
1 1 1    1    3   10 o  40.1400 0.520000 
1 1 1    1    3   11 o  20.9400 0.340000 
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1 1 1  -36    0    8 o  5.71000 1.33000 
1 1 1  -36    0    7 o  6.34000 1.23000 
1 1 1  -36    0    6 o  3.79000 3.79000 
1 1 1  -36    0    5 o  16.6600 0.800000 
1 1 1  -36    0    4 o  2.14000 2.14000 
1 1 1  -36    0    3 o  3.11000 3.11000 
1 1 1   36    0    2 x        0      0 
1 1 1   36    0    3 o  16.9300 2.30000 
1 1 1  -36    2   15 o  5.36000 0.760000 
1 1 1  -36    2   14 o  2.02000 2.02000 
1 1 1  -36    2   13 o  2.76000 2.76000 
1 1 1  -36    2   12 o  5.21000 1.07000 
1 1 1  -36    2   11 o  6.20000 1.36000 
1 1 1  -36    2   10 o  13.2300 0.710000 
1 1 1  -36    2    9 o  3.24000 2.92000 
1 1 1  -36    2    8 o  5.44000 1.02000 
1 1 1  -36    2    7 o  1.61000 1.61000 
1 1 1  -36    2    6 o  9.73000 0.610000 
1 1 1  -36    2    5 o  7.78000 0.750000 
1 1 1  -36    2    4 o  8.29000 0.700000 
1 1 1  -36    2    3 x        0      0 
1 1 1  -36    2    2 o  8.48000 1.13000 
1 1 1  -36    2    1 o  1.34000 1.34000 
1 1 1   36    2    1 o  7.07000 5.31000 
1 1 1   36    2    2 o  10.1300 1.99000 
1 1 1   36    2    3 h  10.7800 4.05000 
1 1 1  -36    4   14 o  3.13000 3.13000 
1 1 1  -36    4   13 o  6.14000 0.860000 
1 1 1  -36    4   12 o  5.69000 1.53000 
1 1 1  -36    4   11 o  10.4900 0.570000 
1 1 1  -36    4   10 o  14.9600 0.480000 
1 1 1  -36    4    9 o  8.51000 1.06000 
1 1 1  -36    4    8 o  5.02000 1.63000 
1 1 1  -36    4    7 o  3.66000 3.66000 
1 1 1  -36    4    6 x        0      0 
1 1 1  -36    4    5 o  6.55000 1.39000 
1 1 1  -36    4    4 o  7.01000 1.26000 
1 1 1  -36    4    3 o  8.10000 0.780000 
1 1 1  -36    4    2 o  4.12000 1.84000 
1 1 1   36    4    0 o  7.99000 7.99000 
1 1 1   36    4    1 x        0      0 
1 1 1  -36    6   12 o  5.15000 1.95000 
1 1 1  -36    6   11 o  2.30000 2.30000 
1 1 1  -36    6   10 o  17.3200 0.640000 
1 1 1  -36    6    9 o  4.81000 2.00000 
1 1 1  -36    6    8 x        0      0 
1 1 1  -36    6    7 o  7.10000 1.30000 
1 1 1  -36    6    6 o  5.07000 1.96000 
1 1 1  -36    6    5 o  6.12000 1.32000 
1 1 1  -36    6    4 o  2.81000 2.81000 
1 1 1  -36    6    3 o  8.64000 0.940000 
1 1 1  -36    6    2 o  9.35000 0.660000 
1 1 1   36    6    0 o  8.75000 5.56000 
1 1 1  -37    1   13 o  4.53000 2.14000 
1 1 1  -37    1   12 o  7.62000 0.770000 
1 1 1  -37    1   11 o  1.97000 1.97000 
1 1 1  -37    1   10 o  6.85000 1.23000 
1 1 1  -37    1    9 o  6.49000 1.01000 
1 1 1  -37    1    8 o  6.80000 0.830000 
1 1 1  -37    1    7 o  9.81000 0.680000 
1 1 1  -37    1    6 o  9.75000 0.590000 
1 1 1  -37    1    5 o  2.90000 2.90000 
1 1 1  -37    1    4 o  6.78000 0.980000 
1 1 1  -37    1    3 o  4.16000 3.61000 
1 1 1  -37    1    2 o  6.47000 1.62000 
1 1 1  -37    3   12 o  6.09000 1.33000 
1 1 1  -37    3   11 o  1.45000 1.45000 
1 1 1  -37    3   10 o  8.28000 1.04000 
1 1 1  -37    3    9 o  11.8000 0.920000 
1 1 1  -37    3    8 o  4.32000 2.45000 
1 1 1  -37    3    7 o  5.87000 1.27000 
1 1 1  -37    3    6 o  4.59000 2.06000 
1 1 1  -37    3    5 o  5.15000 1.95000 
1 1 1  -37    3    4 o  11.0200 0.940000 
1 1 1  -37    3    3 o  4.27000 1.55000 
1 1 1  -37    3    2 o  4.39000 1.77000 
1 1 1  -37    5   11 h  11.6800 4.52000 
1 1 1  -37    5   10 o  12.8100 0.890000 
1 1 1  -37    5    9 o  2.43000 2.43000 
1 1 1  -37    5    8 o  10.9400 0.540000 
1 1 1  -37    5    7 o  6.91000 0.830000 
1 1 1  -37    5    6 x        0      0 
1 1 1  -37    5    5 x        0      0 
1 1 1  -37    5    4 o  2.43000 2.43000 
1 1 1  -37    5    3 o  8.06000 1.03000 
1 1 1  -38    0    8 o  3.77000 3.77000 
1 1 1  -38    0    7 o  3.48000 3.48000 
1 1 1  -38    0    6 o  4.79000 1.92000 
1 1 1  -38    0    5 x        0      0 
1 1 1  -38    0    4 x        0      0 
1 1 1  -38    2    9 o  12.7300 0.790000 
1 1 1  -38    2    8 o  14.5700 0.600000 
1 1 1  -38    2    7 o  7.48000 1.03000 
1 1 1  -38    2    6 o  12.2000 0.710000 
1 1 1  -38    2    5 o  1.14000 1.14000 
#END OF REFLECTIONS
