data_r3rmysf
# 
loop_
_audit.revision_id 
_audit.creation_date 
_audit.update_record 
1_0 2011-06-01 'Initial release'        
1_1 2013-09-04 'Format standardization' 
# 
_cell.entry_id      3rmy 
_cell.length_a      94.519 
_cell.length_b      115.623 
_cell.length_c      107.179 
_cell.angle_alpha   90.000 
_cell.angle_beta    91.900 
_cell.angle_gamma   90.000 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54180 
# 
_entry.id   3rmy 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               3rmy 
_symmetry.space_group_name_H-M   'P 1 21 1' 
# 
#
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    4 o  30.2100 0.480000 
1 1 1    0    0    5 f  42.0500 0.670000 
1 1 1    0    0    6 o  45.5100 0.720000 
1 1 1    0    0    7 o  38.1400 0.610000 
1 1 1    0    0    8 o  55.6900 0.870000 
1 1 1    0    0    9 o  25.3800 0.430000 
1 1 1    0    0   10 o  122.490 1.91000 
1 1 1    0    0   11 o  24.3200 0.440000 
1 1 1    0    0   12 o  5.25000 0.610000 
1 1 1    0    0   13 o  17.5800 0.360000 
1 1 1    0    0   14 o  15.3900 0.400000 
1 1 1    0    0   15 o  6.06000 0.740000 
1 1 1    0    0   16 o  46.8900 0.760000 
1 1 1    0    0   17 o  27.6900 0.490000 
1 1 1    0    0   18 o  2.74000 2.74000 
1 1 1    0    0   19 o  21.7200 0.470000 
1 1 1    0    0   20 o  21.9700 0.460000 
1 1 1    0    0   21 o  28.0400 0.550000 
1 1 1    0    0   22 o  19.5400 0.510000 
1 1 1    0    0   23 o  41.0400 0.700000 
1 1 1    0    0   24 o  38.7900 0.710000 
1 1 1    0    0   25 o  10.0600 0.820000 
1 1 1    0    0   26 f  5.50000 2.03000 
1 1 1    0    0   27 o  59.6400 0.970000 
1 1 1    0    0   29 o  12.5900 1.03000 
1 1 1    0    0   30 o  12.0200 0.730000 
1 1 1    0    0   31 o  41.4200 0.670000 
1 1 1    0    0   32 o  14.0500 0.640000 
1 1 1    0    0   33 o  28.2300 0.550000 
1 1 1    0    0   34 o  16.4600 0.580000 
1 1 1    0    0   35 o  5.23000 1.99000 
1 1 1    0    0   36 o  5.42000 1.79000 
1 1 1    0    0   38 o  9.64000 0.920000 
1 1 1    0    0   39 o  18.1400 0.610000 
1 1 1    0    0   40 o  14.0800 0.670000 
1 1 1    0    0   41 o  1.34000 1.34000 
1 1 1    0    0   42 o  9.53000 1.04000 
1 1 1    0    0   43 o  10.1100 0.970000 
1 1 1    0    0   44 o  13.4600 0.790000 
1 1 1    0    0   45 o  2.77000 2.77000 
1 1 1    0    0   46 f  3.21000 3.21000 
1 1 1    0    1    4 o  51.6000 0.570000 
1 1 1    0    1    5 o  111.040 1.22000 
1 1 1    0    1    6 o  45.6100 0.510000 
1 1 1    0    1    7 f  16.1000 0.220000 
1 1 1    0    1    8 o  69.6000 0.620000 
1 1 1    0    1    9 o  54.5100 0.610000 
1 1 1    0    1   10 f  83.2300 0.910000 
1 1 1    0    1   11 o  71.2900 0.790000 
1 1 1    0    1   12 o  50.5800 0.570000 
1 1 1    0    1   13 o  39.6000 0.460000 
1 1 1    0    1   14 o  32.1700 0.390000 
1 1 1    0    1   15 o  44.9600 0.520000 
1 1 1    0    1   16 o  48.7900 0.560000 
1 1 1    0    1   17 o  28.7300 0.360000 
1 1 1    0    1   18 o  23.3500 0.330000 
1 1 1    0    1   19 o  6.80000 0.600000 
1 1 1    0    1   20 o  36.7200 0.450000 
1 1 1    0    1   21 o  32.4100 0.410000 
1 1 1    0    1   22 o  18.0600 0.360000 
1 1 1    0    1   23 o  10.2800 0.490000 
1 1 1    0    1   24 o  24.2900 0.400000 
1 1 1    0    1   25 o  55.3900 0.650000 
1 1 1    0    1   26 o  10.5700 0.570000 
1 1 1    0    1   27 o  22.9100 0.350000 
1 1 1    0    1   28 o  39.7400 0.520000 
1 1 1    0    1   29 o  18.3200 0.430000 
1 1 1    0    1   30 o  43.9400 0.570000 
1 1 1    0    1   31 o  26.7800 0.440000 
1 1 1    0    1   32 o  32.0000 0.410000 
1 1 1    0    1   33 o  14.7000 0.450000 
1 1 1    0    1   34 o  9.06000 0.700000 
1 1 1    0    1   35 o  5.97000 1.03000 
1 1 1    0    1   36 o  18.7800 0.400000 
1 1 1    0    1   37 o  7.42000 0.820000 
1 1 1    0    1   38 o  14.4400 0.480000 
1 1 1    0    1   39 o  12.0500 0.560000 
1 1 1    0    1   40 o  14.0900 0.490000 
1 1 1    0    1   41 o  3.87000 2.03000 
1 1 1    0    1   42 o  1.70000 1.70000 
1 1 1    0    1   43 o  5.22000 1.24000 
1 1 1    0    1   44 o  8.28000 0.860000 
1 1 1    0    1   45 o 0.450000 0.450000 
1 1 1    0    1   46 o  6.83000 1.00000 
1 1 1    0    2    3 f  127.430 1.38000 
1 1 1    0    2    4 o  56.1500 0.440000 
1 1 1    0    2    5 o  75.1300 0.670000 
1 1 1    0    2    6 f  58.8200 0.530000 
1 1 1    0    2    7 o  44.7200 0.500000 
1 1 1    0    2    8 o  58.5400 0.650000 
1 1 1    0    2    9 o  48.6600 0.550000 
1 1 1    0    2   10 o  41.7700 0.470000 
1 1 1    0    2   11 o  56.1700 0.630000 
1 1 1    0    2   12 o  37.3600 0.440000 
1 1 1    0    2   13 o  26.6900 0.330000 
1 1 1    0    2   14 o  16.4700 0.260000 
1 1 1    0    2   15 o  19.8800 0.280000 
1 1 1    0    2   16 o  12.8400 0.290000 
1 1 1    0    2   17 o  35.8100 0.430000 
1 1 1    0    2   18 o  48.6100 0.570000 
1 1 1    0    2   19 o  15.7600 0.320000 
1 1 1    0    2   20 o  27.9300 0.380000 
1 1 1    0    2   21 o  38.5200 0.470000 
1 1 1    0    2   22 o  20.7600 0.360000 
1 1 1    0    2   23 f  39.4200 0.400000 
1 1 1    0    2   24 o  15.2700 0.330000 
1 1 1    0    2   25 o  18.9500 0.340000 
1 1 1    0    2   26 o  4.91000 1.11000 
1 1 1    0    2   27 o  27.2500 0.340000 
1 1 1    0    2   28 o  17.6300 0.410000 
1 1 1    0    2   29 o  12.2000 0.580000 
1 1 1    0    2   30 o  14.6800 0.510000 
1 1 1    0    2   31 o  38.1100 0.520000 
1 1 1    0    2   32 o  22.1400 0.440000 
1 1 1    0    2   33 o  16.6000 0.460000 
1 1 1    0    2   34 o  9.38000 0.660000 
1 1 1    0    2   35 o  27.2000 0.380000 
1 1 1    0    2   37 o  6.32000 1.04000 
1 1 1    0    2   38 o  10.8100 0.590000 
1 1 1    0    2   39 f  27.8800 0.450000 
1 1 1    0    2   40 o  6.24000 1.02000 
1 1 1    0    2   41 o  4.48000 1.52000 
1 1 1    0    2   43 o  6.04000 1.08000 
1 1 1    0    2   44 o  10.0400 0.690000 
1 1 1    0    2   45 o  4.92000 1.46000 
1 1 1    0    2   46 o  12.5900 0.540000 
1 1 1    0    3    2 o  135.050 1.46000 
1 1 1    0    3    3 f  89.1900 0.800000 
1 1 1    0    3    4 o  134.170 1.03000 
1 1 1    0    3    5 o  128.550 0.990000 
1 1 1    0    3    6 o  119.470 1.07000 
1 1 1    0    3    7 o  31.0200 0.300000 
1 1 1    0    3    8 o  29.3100 0.280000 
1 1 1    0    3    9 o  78.9200 0.710000 
1 1 1    0    3   10 o  28.5800 0.280000 
1 1 1    0    3   11 o  30.1300 0.290000 
1 1 1    0    3   12 o  8.92000 0.230000 
1 1 1    0    3   13 o  21.9100 0.250000 
1 1 1    0    3   14 o  27.0900 0.240000 
1 1 1    0    3   15 o  45.1500 0.420000 
1 1 1    0    3   16 f  13.1500 0.250000 
1 1 1    0    3   17 o  42.0600 0.400000 
1 1 1    0    3   18 o  25.8000 0.290000 
1 1 1    0    3   19 o  44.0000 0.420000 
1 1 1    0    3   20 o  64.9700 0.590000 
1 1 1    0    3   21 o  31.9100 0.330000 
1 1 1    0    3   22 o  29.3200 0.330000 
1 1 1    0    3   23 o  21.7800 0.310000 
1 1 1    0    3   24 o  24.2900 0.320000 
1 1 1    0    3   25 o  22.3400 0.330000 
1 1 1    0    3   26 o  43.7000 0.440000 
1 1 1    0    3   27 o  7.15000 0.750000 
1 1 1    0    3   28 o  36.4500 0.490000 
1 1 1    0    3   29 o  26.7300 0.430000 
1 1 1    0    3   30 o  18.4100 0.450000 
1 1 1    0    3   31 o  22.9200 0.430000 
1 1 1    0    3   32 o  35.6400 0.510000 
1 1 1    0    3   33 o  14.0300 0.550000 
1 1 1    0    3   34 o  13.1900 0.510000 
1 1 1    0    3   35 o  18.5400 0.440000 
1 1 1    0    3   36 o  20.8600 0.400000 
1 1 1    0    3   37 o  5.59000 1.24000 
1 1 1    0    3   38 o  3.74000 1.90000 
1 1 1    0    3   39 o  10.1100 0.660000 
1 1 1    0    3   40 o  13.3500 0.520000 
1 1 1    0    3   41 o  6.98000 0.910000 
1 1 1    0    3   42 o  9.18000 0.710000 
1 1 1    0    3   43 o  7.58000 0.880000 
1 1 1    0    3   45 o  6.26000 1.08000 
1 1 1    0    3   46 o  3.55000 3.55000 
1 1 1    0    4    0 o  136.450 2.09000 
1 1 1    0    4    1 o  75.5000 0.830000 
1 1 1    0    4    2 o  70.2200 0.630000 
1 1 1    0    4    3 o  94.4800 0.740000 
1 1 1    0    4    4 o  19.4800 0.160000 
1 1 1    0    4    5 o  3.96000 0.170000 
1 1 1    0    4    6 o  48.7700 0.380000 
1 1 1    0    4    7 o  70.1000 0.540000 
1 1 1    0    4    8 o  37.6700 0.350000 
1 1 1    0    4    9 o  61.4900 0.560000 
1 1 1    0    4   10 o  42.0900 0.400000 
1 1 1    0    4   11 o  31.4700 0.310000 
1 1 1    0    4   12 o  63.5900 0.580000 
1 1 1    0    4   13 o  91.0200 0.820000 
1 1 1    0    4   14 o  44.7200 0.420000 
1 1 1    0    4   15 o  68.6800 0.630000 
1 1 1    0    4   16 o  42.4300 0.350000 
1 1 1    0    4   17 o  44.5600 0.430000 
1 1 1    0    4   18 o  28.5300 0.300000 
1 1 1    0    4   19 o  43.2700 0.410000 
1 1 1    0    4   20 o  33.0500 0.340000 
1 1 1    0    4   21 o  22.4200 0.290000 
1 1 1    0    4   23 o  28.5200 0.330000 
1 1 1    0    4   24 o  45.9700 0.450000 
1 1 1    0    4   25 o  27.7500 0.330000 
1 1 1    0    4   26 o  18.4100 0.350000 
1 1 1    0    4   27 o  8.02000 0.750000 
1 1 1    0    4   28 o  12.6100 0.520000 
1 1 1    0    4   29 o  17.7100 0.450000 
1 1 1    0    4   30 o  13.9700 0.530000 
1 1 1    0    4   31 o  9.36000 0.760000 
1 1 1    0    4   32 o  24.4700 0.430000 
1 1 1    0    4   33 o  13.8100 0.520000 
1 1 1    0    4   34 o  15.6500 0.500000 
1 1 1    0    4   35 o  12.4300 0.610000 
1 1 1    0    4   36 f  23.5600 0.440000 
1 1 1    0    4   37 o  7.41000 0.760000 
1 1 1    0    4   38 o  16.3500 0.460000 
1 1 1    0    4   39 o  5.53000 1.29000 
1 1 1    0    4   40 f  9.49000 0.670000 
1 1 1    0    4   41 o  8.53000 0.730000 
1 1 1    0    4   42 o  5.21000 1.28000 
1 1 1    0    4   43 o  6.88000 0.970000 
1 1 1    0    4   44 o  8.98000 0.720000 
1 1 1    0    4   45 o  2.76000 2.76000 
1 1 1    0    4   46 o  4.49000 1.63000 
1 1 1    0    5    1 o  100.220 0.770000 
1 1 1    0    5    2 o  33.8100 0.270000 
1 1 1    0    5    3 o  76.0800 0.590000 
1 1 1    0    5    4 o  19.8300 0.170000 
1 1 1    0    5    5 o  60.7600 0.470000 
1 1 1    0    5    6 o  37.9300 0.300000 
1 1 1    0    5    7 o  34.7900 0.280000 
1 1 1    0    5    8 o  25.5100 0.220000 
1 1 1    0    5    9 o  59.2200 0.540000 
1 1 1    0    5   10 o  62.7700 0.570000 
1 1 1    0    5   11 f  46.6200 0.440000 
1 1 1    0    5   12 o  20.8400 0.230000 
1 1 1    0    5   13 o  39.9500 0.380000 
1 1 1    0    5   14 o  50.3100 0.470000 
1 1 1    0    5   15 o  38.4500 0.370000 
1 1 1    0    5   16 o  9.64000 0.310000 
1 1 1    0    5   17 o  31.9000 0.320000 
1 1 1    0    5   18 o  8.63000 0.310000 
1 1 1    0    5   19 o  23.5900 0.270000 
1 1 1    0    5   20 o  18.8300 0.260000 
1 1 1    0    5   21 f  40.4500 0.400000 
1 1 1    0    5   22 o  30.4900 0.320000 
1 1 1    0    5   23 o  33.3700 0.350000 
1 1 1    0    5   24 f  82.1200 0.750000 
1 1 1    0    5   25 o  16.0300 0.360000 
1 1 1    0    5   26 o  24.5700 0.350000 
1 1 1    0    5   27 f  38.2600 0.490000 
1 1 1    0    5   28 o  8.07000 0.760000 
1 1 1    0    5   29 o  36.1000 0.490000 
1 1 1    0    5   30 f  16.2600 0.480000 
1 1 1    0    5   31 o  10.9800 0.670000 
1 1 1    0    5   32 o  14.5500 0.490000 
1 1 1    0    5   33 o  14.4700 0.510000 
1 1 1    0    5   34 o  15.8600 0.490000 
1 1 1    0    5   35 f  6.20000 1.16000 
1 1 1    0    5   36 o  10.0800 0.680000 
1 1 1    0    5   37 o  15.7100 0.510000 
1 1 1    0    5   38 o  3.41000 3.41000 
1 1 1    0    5   40 o  3.99000 2.01000 
1 1 1    0    5   41 o  5.33000 1.29000 
1 1 1    0    5   42 o  3.44000 3.44000 
1 1 1    0    5   43 o  6.18000 1.03000 
1 1 1    0    5   44 o  5.89000 1.14000 
1 1 1    0    5   45 o  7.56000 0.850000 
1 1 1    0    5   46 o  5.52000 1.26000 
1 1 1    0    6    0 o  45.3000 0.500000 
1 1 1    0    6    1 o  20.6600 0.170000 
1 1 1    0    6    2 o  25.1400 0.200000 
1 1 1    0    6    3 o  169.080 1.29000 
1 1 1    0    6    4 o  88.2900 0.690000 
1 1 1    0    6    5 o  114.950 0.900000 
1 1 1    0    6    6 o  53.6100 0.420000 
1 1 1    0    6    7 o  51.8500 0.410000 
1 1 1    0    6    8 o  20.8100 0.190000 
1 1 1    0    6    9 o  18.3000 0.180000 
1 1 1    0    6   10 o  54.0900 0.430000 
1 1 1    0    6   11 o  56.3300 0.520000 
1 1 1    0    6   12 o  96.7900 0.870000 
1 1 1    0    6   13 o  44.0900 0.410000 
1 1 1    0    6   14 o  22.8800 0.250000 
1 1 1    0    6   15 o  43.2900 0.410000 
1 1 1    0    6   16 o  30.0500 0.310000 
1 1 1    0    6   17 f  24.7700 0.280000 
1 1 1    0    6   18 o  58.4900 0.540000 
1 1 1    0    6   19 o  19.1300 0.270000 
1 1 1    0    6   20 o  24.3500 0.250000 
1 1 1    0    6   21 o  11.4200 0.330000 
1 1 1    0    6   22 o  22.7600 0.290000 
1 1 1    0    6   23 o  38.6500 0.390000 
1 1 1    0    6   24 o  61.5000 0.570000 
1 1 1    0    6   25 o  43.3400 0.430000 
1 1 1    0    6   26 o  73.5100 0.680000 
1 1 1    0    6   27 o  30.2300 0.430000 
1 1 1    0    6   28 o  7.63000 0.790000 
1 1 1    0    6   29 o  16.2000 0.450000 
1 1 1    0    6   30 o  9.06000 0.780000 
1 1 1    0    6   31 o  7.66000 0.890000 
1 1 1    0    6   32 o  4.80000 1.51000 
1 1 1    0    6   33 o  16.7900 0.490000 
1 1 1    0    6   35 o  32.4900 0.480000 
1 1 1    0    6   36 o  17.8600 0.480000 
1 1 1    0    6   37 o  1.90000 1.90000 
1 1 1    0    6   38 o  18.2400 0.490000 
1 1 1    0    6   39 o  1.45000 1.45000 
1 1 1    0    6   40 o  17.4800 0.460000 
1 1 1    0    6   41 o  6.41000 1.05000 
1 1 1    0    6   42 o  5.62000 1.21000 
1 1 1    0    6   43 o  7.77000 0.810000 
1 1 1    0    6   44 o  7.20000 0.890000 
1 1 1    0    6   45 o  3.44000 3.44000 
1 1 1    0    6   46 o  4.96000 1.37000 
1 1 1    0    7    1 o  61.4000 0.470000 
1 1 1    0    7    2 f  89.4800 0.690000 
1 1 1    0    7    3 o  84.4200 0.660000 
1 1 1    0    7    4 o  29.1300 0.240000 
1 1 1    0    7    5 o  18.6500 0.190000 
1 1 1    0    7    6 o  68.0300 0.530000 
1 1 1    0    7    7 o  44.5700 0.360000 
1 1 1    0    7    8 o  68.8900 0.540000 
1 1 1    0    7    9 f  33.3300 0.280000 
1 1 1    0    7   10 o  13.0300 0.170000 
1 1 1    0    7   11 o  52.6800 0.420000 
1 1 1    0    7   12 o  18.8400 0.220000 
1 1 1    0    7   13 o  39.9100 0.380000 
1 1 1    0    7   14 o  24.5800 0.270000 
1 1 1    0    7   15 o  44.8100 0.420000 
1 1 1    0    7   16 o  34.3700 0.330000 
1 1 1    0    7   17 o  9.49000 0.330000 
1 1 1    0    7   18 o  56.4700 0.530000 
1 1 1    0    7   19 o  6.18000 0.510000 
1 1 1    0    7   20 o  30.8600 0.330000 
1 1 1    0    7   21 o  34.7600 0.310000 
1 1 1    0    7   22 o  37.3400 0.370000 
1 1 1    0    7   23 o  29.2000 0.330000 
1 1 1    0    7   24 o  12.9200 0.390000 
1 1 1    0    7   25 o  6.03000 0.900000 
1 1 1    0    7   26 o  23.1600 0.350000 
1 1 1    0    7   27 f  16.9100 0.400000 
1 1 1    0    7   28 o  9.04000 0.750000 
1 1 1    0    7   29 o  16.7100 0.450000 
1 1 1    0    7   30 o  13.2100 0.500000 
1 1 1    0    7   31 o  17.9700 0.450000 
1 1 1    0    7   32 o  16.0300 0.480000 
1 1 1    0    7   33 o  5.89000 1.25000 
1 1 1    0    7   34 o  18.9100 0.450000 
1 1 1    0    7   35 o  14.5700 0.520000 
1 1 1    0    7   36 o  15.7800 0.480000 
1 1 1    0    7   37 o  12.0400 0.600000 
1 1 1    0    7   38 o  9.42000 0.780000 
1 1 1    0    7   39 o  8.35000 0.900000 
1 1 1    0    7   40 o  12.8600 0.600000 
1 1 1    0    7   41 o  5.81000 1.08000 
1 1 1    0    7   42 o  7.30000 0.800000 
1 1 1    0    7   43 o  6.75000 0.940000 
1 1 1    0    7   44 o  5.14000 1.38000 
1 1 1    0    7   45 o  8.64000 0.780000 
1 1 1    0    7   46 o  2.00000 2.00000 
1 1 1    0    8    0 o  137.420 1.49000 
1 1 1    0    8    1 o  48.1100 0.380000 
1 1 1    0    8    2 o  24.9900 0.200000 
1 1 1    0    8    3 o  38.3100 0.300000 
1 1 1    0    8    4 o  40.5300 0.320000 
1 1 1    0    8    5 o  103.600 0.810000 
1 1 1    0    8    6 o  60.0100 0.470000 
1 1 1    0    8    7 o  70.5900 0.550000 
1 1 1    0    8    8 o  95.8200 0.750000 
1 1 1    0    8    9 o  68.3100 0.530000 
1 1 1    0    8   10 o  35.4300 0.290000 
1 1 1    0    8   11 o  50.5900 0.410000 
1 1 1    0    8   12 o  22.7800 0.210000 
1 1 1    0    8   13 o  46.6700 0.440000 
1 1 1    0    8   14 o  13.5900 0.240000 
1 1 1    0    8   15 o  4.96000 0.520000 
1 1 1    0    8   16 o  20.2400 0.250000 
1 1 1    0    8   17 o  30.4800 0.320000 
1 1 1    0    8   18 o  56.7200 0.530000 
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1 1 1   39   12    6 o  1.00000 1.00000 
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1 1 1  -40    0    1 o  11.1600 0.720000 
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1 1 1   40    0    2 o  11.2800 0.710000 
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1 1 1   40    0    5 o  6.04000 1.45000 
1 1 1   40    0    6 o  6.34000 1.37000 
1 1 1   40    0    7 o  3.95000 3.00000 
1 1 1   40    0    8 o  7.73000 1.05000 
1 1 1  -40    1   12 o  7.67000 0.720000 
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1 1 1   40    1    3 o  4.57000 1.27000 
1 1 1   40    1    5 o  7.99000 0.670000 
1 1 1   40    1    6 f  4.27000 1.58000 
1 1 1   40    1    7 o  6.32000 0.900000 
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1 1 1  -40    2    9 o  9.52000 0.590000 
1 1 1  -40    2    8 o  4.22000 1.50000 
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1 1 1  -40    2    6 o  4.74000 1.28000 
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1 1 1  -40    2    4 o  5.10000 1.15000 
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1 1 1   40    2    5 o  5.00000 1.17000 
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1 1 1  -40    3   10 o  4.60000 1.39000 
1 1 1  -40    3    9 o  3.54000 1.99000 
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1 1 1  -40    3    7 o  2.90000 2.90000 
1 1 1  -40    3    6 o  2.00000 2.00000 
1 1 1  -40    3    5 o  8.54000 0.670000 
1 1 1  -40    3    4 o  7.14000 0.770000 
1 1 1  -40    3    3 o  3.26000 2.48000 
1 1 1  -40    3    2 o  9.39000 0.600000 
1 1 1  -40    3    1 f  13.1200 0.430000 
1 1 1   40    3    0 o  4.51000 1.31000 
1 1 1   40    3    2 o  3.66000 1.99000 
1 1 1   40    3    3 o  7.42000 0.710000 
1 1 1   40    3    5 o  8.29000 0.670000 
1 1 1   40    3    7 o  10.9800 0.510000 
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1 1 1  -40    4    7 o  4.74000 1.26000 
1 1 1  -40    4    6 o  3.21000 2.89000 
1 1 1  -40    4    5 o  4.28000 1.49000 
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1 1 1   40    4    2 o  3.38000 2.28000 
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1 1 1   40    5    7 o  3.83000 1.67000 
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1 1 1  -40    6    7 f  8.68000 0.630000 
1 1 1  -40    6    6 o  2.21000 2.21000 
1 1 1  -40    6    5 o  5.40000 1.08000 
1 1 1  -40    6    4 o  7.05000 0.800000 
1 1 1  -40    6    3 o  6.99000 0.800000 
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1 1 1   40    6    0 o  9.86000 0.560000 
1 1 1   40    6    1 o  9.60000 0.570000 
1 1 1   40    6    2 o  9.46000 0.610000 
1 1 1   40    6    3 o  2.12000 2.12000 
1 1 1   40    6    4 o  3.26000 2.55000 
1 1 1   40    6    5 o  4.55000 1.29000 
1 1 1   40    6    6 o  12.1900 0.480000 
1 1 1   40    6    7 o  4.80000 1.29000 
1 1 1  -40    7   10 h  4.24000 1.40000 
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1 1 1  -40    7    7 o  7.06000 0.820000 
1 1 1  -40    7    6 o  8.68000 0.630000 
1 1 1  -40    7    5 o  11.1100 0.520000 
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1 1 1  -40    7    2 o  5.45000 1.09000 
1 1 1  -40    7    1 o  8.93000 0.610000 
1 1 1   40    7    0 o  9.94000 0.560000 
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1 1 1   40    7    2 o  5.12000 1.13000 
1 1 1   40    7    3 o  10.6000 0.540000 
1 1 1   40    7    4 o  9.01000 0.640000 
1 1 1   40    7    5 o  4.37000 1.40000 
1 1 1   40    7    6 o  9.77000 0.550000 
1 1 1   40    7    7 h  7.62000 0.680000 
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1 1 1  -40    8    4 o  7.48000 0.710000 
1 1 1  -40    8    3 o  9.96000 0.540000 
1 1 1  -40    8    2 o  3.78000 1.81000 
1 1 1  -40    8    1 o  5.17000 1.15000 
1 1 1   40    8    0 o  3.79000 1.56000 
1 1 1   40    8    1 o  10.9500 0.510000 
1 1 1   40    8    2 o  7.45000 0.750000 
1 1 1   40    8    3 o  6.90000 0.780000 
1 1 1   40    8    4 o  7.71000 0.760000 
1 1 1   40    8    5 o  11.0300 0.500000 
1 1 1   40    8    6 o  7.31000 0.800000 
1 1 1  -40    9    8 o  3.77000 1.53000 
1 1 1  -40    9    7 o  4.57000 1.32000 
1 1 1  -40    9    6 o  8.65000 0.640000 
1 1 1  -40    9    5 o  5.59000 1.04000 
1 1 1  -40    9    4 o  15.7300 0.380000 
1 1 1  -40    9    3 o  9.19000 0.630000 
1 1 1  -40    9    2 o  6.63000 0.860000 
1 1 1  -40    9    1 o  7.77000 0.640000 
1 1 1   40    9    0 o  3.91000 1.70000 
1 1 1   40    9    1 f  6.07000 0.890000 
1 1 1   40    9    2 o  6.64000 0.870000 
1 1 1   40    9    3 o  10.4700 0.540000 
1 1 1   40    9    4 o  1.87000 1.87000 
1 1 1   40    9    5 o  2.61000 2.61000 
1 1 1  -40   10    6 o  6.11000 0.900000 
1 1 1  -40   10    4 o  8.61000 0.650000 
1 1 1  -40   10    3 o  6.80000 0.800000 
1 1 1  -40   10    2 o  9.22000 0.590000 
1 1 1  -40   10    1 o  8.51000 0.650000 
1 1 1   40   10    0 o  5.18000 1.11000 
1 1 1   40   10    1 o  4.53000 1.43000 
1 1 1   40   10    2 o  11.9700 0.470000 
1 1 1   40   10    3 o  5.95000 0.980000 
1 1 1  -40   11    4 o  7.80000 0.730000 
1 1 1  -40   11    3 o  9.21000 0.580000 
1 1 1  -40   11    2 o 0.320000 0.320000 
1 1 1   40   11    0 o  7.55000 0.720000 
1 1 1   40   11    1 o  8.16000 0.660000 
1 1 1  -41    0    4 o  7.95000 1.00000 
1 1 1  -41    0    2 o  3.97000 3.14000 
1 1 1   41    0    0 o  8.17000 1.00000 
1 1 1   41    0    1 o  8.51000 0.970000 
1 1 1  -41    1    4 o  1.14000 1.14000 
1 1 1  -41    1    3 o  9.38000 0.630000 
1 1 1  -41    1    2 o  3.58000 1.85000 
1 1 1   41    1    0 o  8.70000 0.660000 
1 1 1   41    1    1 o  6.14000 0.940000 
1 1 1  -41    2    4 o  2.74000 2.74000 
1 1 1  -41    2    3 o  4.27000 1.47000 
1 1 1  -41    2    2 o  11.3800 0.520000 
1 1 1  -41    2    1 o  4.05000 1.66000 
1 1 1   41    2    0 o  7.24000 0.780000 
1 1 1   41    2    1 o  2.35000 2.35000 
1 1 1  -41    3    3 o  5.23000 1.15000 
1 1 1  -41    3    2 o  5.53000 1.07000 
1 1 1  -41    3    1 o  3.46000 2.46000 
#END OF REFLECTIONS
