data_r7k3xsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2021-11-10 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      7k3x 
_cell.length_a      4.745 
_cell.length_b      46.172 
_cell.length_c      10.331 
_cell.angle_alpha   90.000 
_cell.angle_beta    103.328 
_cell.angle_gamma   90.000 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9791 
# 
_entry.id   7k3x 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               7k3x 
_symmetry.space_group_name_H-M   "P 1 21 1" 
_symmetry.Int_Tables_number      4 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.pdbx_r_free_flag 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.F_calc_au 
_refln.phase_calc 
_refln.pdbx_FWT 
_refln.pdbx_PHWT 
_refln.pdbx_DELFWT 
_refln.pdbx_DELPHWT 
_refln.fom 
1 1 1 1  0  0 o 1 3.33   5.19 1.81   0.00    1.11   180.00  1.29  180.00  0.05 
1 1 1 2  0  0 o 1 7.25   0.72 7.15   0.00    2.52   -0.00   2.19  180.00  0.65 
1 1 1 1  1  0 o 1 31.32  3.99 35.09  -144.11 28.56  -141.55 2.02  38.45   0.98 
1 1 1 2  1  0 o 1 9.15   1.73 5.57   122.49  5.09   122.51  0.15  -57.49  0.57 
1 1 1 0  2  0 o 1 15.31  0.40 111.06 -38.52  19.04  81.69   33.67 81.69   0.96 
1 1 1 1  2  0 o 1 89.81  3.11 94.58  -112.99 89.44  -113.02 0.14  66.98   1.00 
1 1 1 2  2  0 f 0 4.07   1.92 4.65   84.38   4.49   84.34   0.00  0.00    0.25 
1 1 1 1  3  0 o 1 7.53   2.59 7.88   -99.49  1.40   -113.07 2.89  66.93   0.57 
1 1 1 2  3  0 o 1 14.97  1.59 12.68  -141.59 14.67  -141.60 1.20  -141.60 0.90 
1 1 1 0  4  0 o 1 20.21  0.60 5.19   165.16  18.84  -36.41  0.54  -36.41  0.91 
1 1 1 1  4  0 f 0 40.84  3.25 30.25  161.53  29.82  165.49  0.00  0.00    0.98 
1 1 1 2  4  0 o 1 11.46  3.25 11.92  53.21   7.19   53.23   2.18  -126.77 0.82 
1 1 1 1  5  0 o 1 19.28  1.37 25.49  38.84   12.50  35.81   6.08  -144.19 0.96 
1 1 1 2  5  0 o 1 18.16  1.70 15.52  -138.10 18.88  -138.08 1.93  -138.08 0.93 
1 1 1 0  6  0 o 1 47.89  1.05 33.69  73.12   57.17  50.17   10.17 50.17   0.98 
1 1 1 1  6  0 o 1 47.60  3.10 52.65  -178.26 44.24  -179.22 2.94  0.78    0.99 
1 1 1 2  6  0 f 0 17.48  2.89 9.14   51.43   8.84   51.42   0.00  0.00    0.86 
1 1 1 1  7  0 o 1 30.96  3.04 29.15  -100.86 32.92  -101.34 2.73  -101.34 0.98 
1 1 1 2  7  0 o 1 4.39   1.69 6.82   -27.41  3.24   152.61  4.92  152.61  0.38 
1 1 1 0  8  0 o 1 75.66  1.44 60.77  58.79   92.57  68.50   17.49 68.50   0.99 
1 1 1 1  8  0 f 0 34.69  2.90 43.07  130.77  41.73  131.16  0.00  0.00    0.99 
1 1 1 2  8  0 o 1 6.44   1.76 4.51   153.42  0.41   153.37  1.98  -26.63  0.37 
1 1 1 1  9  0 o 1 13.69  3.65 17.52  17.59   7.82   16.36   4.42  -163.64 0.89 
1 1 1 2  9  0 o 1 3.28   1.50 5.67   -32.61  3.82   147.40  4.65  147.40  0.25 
1 1 1 0  10 0 f 0 50.89  1.23 40.61  -22.35  39.18  -18.98  0.00  0.00    0.98 
1 1 1 1  10 0 o 1 24.32  2.40 28.54  -22.37  19.59  -22.41  4.03  157.59  0.97 
1 1 1 2  10 0 o 1 9.64   2.93 10.68  150.55  4.31   150.57  3.01  -29.43  0.76 
1 1 1 1  11 0 o 1 9.68   2.60 18.79  75.97   1.34   -104.32 9.88  -104.32 0.88 
1 1 1 2  11 0 f 0 7.12   3.05 4.32   150.99  4.18   151.01  0.00  0.00    0.34 
1 1 1 0  12 0 o 1 12.37  0.65 17.27  59.34   4.74   51.93   5.17  -128.07 0.80 
1 1 1 1  12 0 o 1 5.50   2.70 5.26   12.66   1.39   -166.75 3.21  -166.75 0.33 
1 1 1 2  12 0 o 1 11.79  3.20 10.17  -165.39 8.77   -165.38 0.53  14.62   0.79 
1 1 1 1  13 0 o 1 10.47  3.08 14.37  -144.84 3.65   -144.79 5.18  35.21   0.84 
1 1 1 2  13 0 o 1 6.67   2.33 4.89   129.11  0.43   129.12  2.15  -50.88  0.39 
1 1 1 0  14 0 o 1 15.57  0.77 12.18  90.88   12.88  91.76   0.35  91.76   0.80 
1 1 1 1  14 0 o 1 5.04   2.70 4.86   -154.51 1.77   26.46   3.21  26.46   0.28 
1 1 1 2  14 0 o 1 8.58   2.72 5.49   109.56  3.25   109.57  1.03  -70.43  0.50 
1 1 1 1  15 0 o 1 11.35  2.66 15.59  -139.52 4.82   -139.41 5.12  40.59   0.88 
1 1 1 2  15 0 o 1 3.03   1.44 3.00   129.66  2.12   -50.36  2.51  -50.36  0.13 
1 1 1 0  16 0 o 1 107.51 2.13 79.02  123.73  137.45 123.58  30.39 123.58  1.00 
1 1 1 1  16 0 f 0 11.34  2.71 16.73  42.16   16.18  42.36   0.00  0.00    0.88 
1 1 1 2  16 0 o 1 4.50   1.91 1.43   137.83  0.60   -42.16  0.99  -42.16  0.09 
1 1 1 1  17 0 o 1 9.78   3.33 10.81  30.50   4.22   30.63   3.12  -149.37 0.75 
1 1 1 2  17 0 o 1 4.73   1.91 0.81   -149.96 0.29   30.05   0.54  30.05   0.05 
1 1 1 0  18 0 o 1 70.87  1.69 47.57  99.13   94.30  99.17   24.16 99.17   0.99 
1 1 1 1  18 0 o 1 10.06  1.71 19.18  -2.65   0.45   177.31  9.51  177.31  0.90 
1 1 1 2  18 0 o 1 3.39   1.63 2.31   151.07  1.50   -28.93  1.87  -28.93  0.11 
1 1 1 1  19 0 o 1 16.90  2.71 19.55  -2.31   12.72  -2.32   3.11  177.68  0.94 
1 1 1 0  20 0 o 1 8.93   1.01 7.24   28.67   0.71   28.48   3.14  -151.52 0.43 
1 1 1 1  20 0 o 1 13.26  1.76 13.55  -52.42  10.55  -52.41  1.28  127.59  0.89 
1 1 1 1  21 0 o 1 9.07   2.73 5.35   128.21  4.07   128.25  0.56  -51.75  0.51 
1 1 1 0  22 0 o 1 6.12   1.21 6.40   -91.01  2.79   89.04   4.49  89.04   0.28 
1 1 1 1  22 0 o 1 15.55  2.19 15.99  -110.66 13.12  -110.67 1.18  69.33   0.92 
1 1 1 1  23 0 o 1 10.91  2.22 11.92  133.13  6.69   133.12  2.42  -46.88  0.84 
1 1 1 0  24 0 x 0 ?      ?    15.99  161.36  15.48  161.35  0.00  0.00    0.00 
1 1 1 1  24 0 o 1 13.98  2.46 15.90  -115.66 9.95   -115.66 2.72  64.34   0.91 
1 1 1 1  25 0 o 1 6.48   2.55 4.07   161.24  0.13   161.24  1.90  -18.76  0.31 
1 1 1 0  26 0 o 1 5.67   1.38 6.53   116.20  3.34   -63.79  4.83  -63.79  0.26 
1 1 1 -2 0  1 o 1 43.27  0.91 30.07  -180.00 57.42  -180.00 14.15 -180.00 1.00 
1 1 1 -1 0  1 o 1 4.32   3.90 11.52  0.00    6.02   180.00  8.25  180.00  0.52 
1 1 1 0  0  1 x 0 ?      ?    63.51  -180.00 49.04  -180.00 0.00  0.00    0.00 
1 1 1 1  0  1 o 1 0.01   6.74 7.93   -180.00 6.69   0.00    6.69  0.00    0.00 
1 1 1 2  0  1 o 1 0.01   6.74 5.28   0.00    5.11   180.00  5.11  180.00  0.00 
1 1 1 -2 1  1 o 1 6.63   0.42 6.99   33.57   0.76   33.56   3.01  -146.44 0.57 
1 1 1 -1 1  1 o 1 67.88  1.99 65.79  56.34   72.54  57.90   4.95  57.90   1.00 
1 1 1 0  1  1 o 1 48.93  0.65 55.19  27.77   58.91  8.82    10.41 8.82    0.99 
1 1 1 1  1  1 o 1 30.59  3.11 31.16  -82.43  29.51  -80.68  0.38  99.32   0.98 
1 1 1 2  1  1 f 0 15.38  1.61 13.45  -109.95 13.02  -109.95 0.00  0.00    0.91 
1 1 1 -2 2  1 o 1 25.58  0.46 27.25  150.52  23.56  150.52  1.40  -29.48  0.98 
1 1 1 -1 2  1 o 1 83.66  3.43 87.88  78.04   83.96  77.53   0.56  77.54   1.00 
1 1 1 0  2  1 o 1 39.23  0.45 46.66  -50.02  37.89  -50.54  0.94  129.46  0.99 
1 1 1 1  2  1 o 1 48.01  1.58 39.08  63.75   57.29  64.58   9.73  64.58   0.99 
1 1 1 2  2  1 o 1 8.49   2.92 7.67   87.27   2.91   87.26   2.26  -92.74  0.61 
1 1 1 -2 3  1 o 1 2.80   0.60 3.80   -46.37  2.79   133.37  3.23  133.37  0.16 
1 1 1 -1 3  1 o 1 10.74  1.89 14.10  -158.46 5.63   -156.83 3.58  23.17   0.86 
1 1 1 0  3  1 f 0 79.89  0.81 99.55  -66.49  72.94  -43.85  0.00  0.00    1.00 
1 1 1 1  3  1 f 0 57.13  3.19 56.35  -128.28 54.67  -127.88 0.00  0.00    0.99 
1 1 1 2  3  1 o 1 8.74   2.37 14.40  -152.55 0.50   -152.55 6.72  27.45   0.83 
1 1 1 -2 4  1 f 0 5.40   0.40 12.07  45.93   11.69  45.93   0.00  0.00    0.69 
1 1 1 -1 4  1 f 0 48.46  2.88 37.68  30.57   37.69  32.94   0.00  0.00    0.99 
1 1 1 0  4  1 o 1 52.98  0.75 56.10  -40.85  59.08  -44.17  6.45  -44.17  0.99 
1 1 1 1  4  1 o 1 13.31  3.72 20.86  157.97  3.93   158.13  8.19  -21.87  0.91 
1 1 1 2  4  1 o 1 2.92   1.38 4.27   25.81   3.11   -154.22 3.62  -154.22 0.18 
1 1 1 -2 5  1 o 1 4.07   0.77 9.99   -40.70  5.49   139.34  7.59  139.34  0.51 
1 1 1 -1 5  1 o 1 8.24   3.18 17.14  -153.91 3.10   26.35   9.92  26.35   0.83 
1 1 1 0  5  1 o 1 27.32  0.36 72.30  47.84   11.22  37.70   15.73 -142.30 0.99 
1 1 1 1  5  1 o 1 36.84  2.26 38.25  -150.21 35.23  -152.03 1.11  27.97   0.99 
1 1 1 2  5  1 o 1 9.36   1.89 8.59   163.22  5.27   163.23  1.52  -16.77  0.73 
1 1 1 -2 6  1 o 1 6.40   0.43 3.83   -59.47  0.71   -59.47  1.50  120.53  0.34 
1 1 1 -1 6  1 o 1 50.88  3.08 47.12  24.00   55.43  23.79   5.01  23.79   0.99 
1 1 1 0  6  1 o 1 31.48  0.43 25.34  125.10  48.22  127.87  18.12 127.87  0.96 
1 1 1 1  6  1 o 1 19.05  1.99 17.72  -101.27 18.66  -101.11 0.69  -101.11 0.94 
1 1 1 2  6  1 f 0 10.50  1.26 7.02   -176.81 6.80   -176.82 0.00  0.00    0.72 
1 1 1 -2 7  1 o 1 28.01  0.58 25.53  -23.01  29.99  -23.01  2.64  -23.01  0.98 
1 1 1 -1 7  1 o 1 33.64  2.95 38.71  -118.53 28.86  -118.44 4.24  61.56   0.98 
1 1 1 0  7  1 o 1 12.36  0.43 16.55  -138.25 12.39  -142.18 2.86  -142.18 0.77 
1 1 1 1  7  1 o 1 7.15   2.67 22.50  -70.62  10.39  110.06  16.61 110.06  0.87 
1 1 1 2  7  1 o 1 6.82   2.37 2.96   143.87  0.56   143.87  1.15  -36.13  0.25 
1 1 1 -2 8  1 o 1 13.56  0.37 14.43  -111.52 10.73  -111.54 1.62  68.46   0.91 
1 1 1 -1 8  1 f 0 32.67  3.14 36.25  93.85   34.67  93.99   0.00  0.00    0.98 
1 1 1 0  8  1 o 1 59.19  1.34 56.55  -116.29 69.80  -120.49 10.96 -120.49 0.99 
1 1 1 1  8  1 o 1 12.84  1.56 7.81   176.79  12.92  177.45  2.84  177.45  0.78 
1 1 1 2  8  1 o 1 3.58   1.51 5.85   -86.27  3.63   93.73   4.64  93.73   0.28 
1 1 1 -2 9  1 o 1 24.59  0.52 21.35  -49.08  26.94  -49.08  3.14  -49.08  0.97 
1 1 1 -1 9  1 o 1 32.97  1.66 22.05  117.37  42.70  118.00  10.55 118.00  0.98 
1 1 1 0  9  1 o 1 18.42  0.68 13.58  29.83   21.78  42.32   4.73  42.32   0.93 
1 1 1 1  9  1 o 1 8.20   2.74 13.56  -98.67  0.13   -99.13  6.24  80.87   0.78 
1 1 1 2  9  1 o 1 6.77   2.36 6.24   64.09   0.41   64.07   2.81  -115.93 0.48 
1 1 1 -2 10 1 o 1 7.97   0.49 10.68  174.62  1.95   174.62  4.19  -5.38   0.77 
1 1 1 -1 10 1 o 1 19.10  3.30 25.74  58.75   11.48  59.01   6.74  -120.99 0.95 
1 1 1 0  10 1 o 1 8.49   0.44 15.08  -49.29  0.45   121.32  7.77  121.32  0.86 
1 1 1 1  10 1 o 1 14.34  3.14 22.19  152.16  4.84   151.86  8.50  -28.14  0.93 
1 1 1 2  10 1 o 1 3.56   1.60 2.49   -60.55  1.53   119.45  1.97  119.45  0.12 
1 1 1 -2 11 1 o 1 8.54   0.44 11.35  -64.40  2.74   -64.40  4.13  115.60  0.80 
1 1 1 -1 11 1 o 1 10.69  2.45 21.77  97.71   1.37   -82.95  11.10 -82.95  0.91 
1 1 1 0  11 1 o 1 65.79  1.04 49.49  39.07   82.99  36.31   17.54 36.31   0.99 
1 1 1 1  11 1 o 1 17.01  2.81 20.12  -23.97  12.49  -24.58  3.45  155.42  0.94 
1 1 1 2  11 1 f 0 6.24   1.79 7.58   55.80   7.33   55.82   0.00  0.00    0.54 
1 1 1 -2 12 1 f 0 2.85   0.70 4.12   102.26  3.99   102.26  0.00  0.00    0.17 
1 1 1 -1 12 1 o 1 9.77   1.76 17.66  37.63   0.05   37.66   8.64  -142.34 0.89 
1 1 1 0  12 1 o 1 33.56  0.61 30.98  -83.14  35.81  -82.63  2.78  -82.63  0.98 
1 1 1 1  12 1 o 1 6.82   2.98 4.99   90.74   0.27   89.87   2.20  -90.13  0.36 
1 1 1 2  12 1 o 1 6.81   2.15 4.41   69.01   0.74   69.02   1.76  -110.98 0.37 
1 1 1 -2 13 1 o 1 6.63   0.65 4.77   -73.59  1.03   -73.59  1.80  106.41  0.43 
1 1 1 -1 13 1 o 1 10.37  2.94 14.52  101.28  3.37   101.53  5.42  -78.47  0.85 
1 1 1 0  13 1 o 1 62.81  0.89 53.87  22.07   73.56  23.07   11.07 23.07   0.99 
1 1 1 1  13 1 o 1 22.30  1.98 32.59  -13.84  11.84  -13.74  9.88  166.26  0.97 
1 1 1 2  13 1 o 1 4.24   1.87 6.23   103.23  3.16   -76.77  4.59  -76.77  0.34 
1 1 1 -2 14 1 o 1 2.75   0.68 3.54   -58.78  2.64   121.21  3.03  121.21  0.14 
1 1 1 -1 14 1 o 1 12.70  1.29 16.68  -40.97  7.09   -41.51  4.52  138.49  0.91 
1 1 1 0  14 1 o 1 21.31  0.56 15.64  125.62  25.44  125.32  5.24  125.32  0.95 
1 1 1 1  14 1 o 1 15.65  1.32 11.98  16.88   16.60  16.92   2.50  16.92   0.90 
1 1 1 2  14 1 o 1 4.73   2.05 4.81   58.81   1.91   -121.20 3.28  -121.20 0.29 
1 1 1 -2 15 1 o 1 4.45   0.85 3.00   60.84   1.18   -119.15 2.04  -119.15 0.19 
1 1 1 -1 15 1 o 1 11.30  2.84 12.72  150.66  6.68   150.89  2.80  -29.11  0.84 
1 1 1 0  15 1 o 1 39.15  0.88 27.68  -2.42   49.94  -2.51   11.40 -2.51   0.98 
1 1 1 1  15 1 o 1 22.16  2.16 22.73  -2.77   20.62  -2.84   0.69  177.16  0.96 
1 1 1 2  15 1 o 1 7.12   1.99 6.31   109.93  1.24   109.93  2.43  -70.07  0.52 
1 1 1 -2 16 1 o 1 2.48   0.62 7.97   -123.05 6.31   56.95   7.01  56.95   0.28 
1 1 1 -1 16 1 f 0 11.15  2.88 20.56  26.74   19.93  26.72   0.00  0.00    0.90 
1 1 1 0  16 1 o 1 5.70   1.11 11.51  -41.25  3.33   139.75  7.19  139.75  0.68 
1 1 1 1  16 1 o 1 9.60   2.24 4.76   -26.89  5.20   -26.71  0.30  -26.71  0.51 
1 1 1 2  16 1 o 1 3.88   1.83 3.21   20.20   1.80   -159.80 2.46  -159.80 0.17 
1 1 1 -2 17 1 o 1 8.82   0.54 7.41   69.73   5.00   69.73   1.08  -110.27 0.69 
1 1 1 -1 17 1 o 1 18.86  1.90 15.87  88.16   19.93  88.11   2.27  88.11   0.94 
1 1 1 0  17 1 o 1 16.44  0.71 13.84  -170.62 16.94  -170.58 1.77  -170.58 0.92 
1 1 1 1  17 1 o 1 9.58   2.63 10.64  -137.63 4.44   -137.71 2.93  42.29   0.77 
1 1 1 -2 18 1 o 1 4.11   0.96 6.15   -136.29 3.10   43.71   4.52  43.71   0.35 
1 1 1 -1 18 1 o 1 6.00   2.83 5.96   96.88   1.02   -83.07  3.40  -83.07  0.40 
1 1 1 0  18 1 o 1 13.14  0.99 21.00  106.46  4.27   106.78  8.03  -73.22  0.94 
1 1 1 1  18 1 o 1 20.45  2.24 16.83  -113.75 22.26  -113.74 2.98  -113.74 0.94 
1 1 1 -1 19 1 o 1 14.95  3.17 12.47  35.76   14.07  35.75   1.01  35.75   0.87 
1 1 1 0  19 1 o 1 16.54  0.89 21.08  128.45  11.03  128.51  4.69  -51.49  0.95 
1 1 1 1  19 1 o 1 20.94  3.02 16.18  165.80  23.50  165.82  3.92  165.82  0.93 
1 1 1 -1 20 1 o 1 7.30   3.14 3.56   106.66  0.75   106.63  1.34  -73.37  0.29 
1 1 1 0  20 1 o 1 20.24  0.86 22.14  102.16  17.52  102.09  1.94  -77.91  0.96 
1 1 1 1  20 1 o 1 20.42  3.75 17.31  -44.72  21.23  -44.73  2.24  -44.73  0.93 
1 1 1 -1 21 1 o 1 9.48   2.87 6.79   91.04   4.94   91.01   0.82  -88.99  0.61 
1 1 1 0  21 1 o 1 8.47   0.76 15.44  85.18   0.41   -94.82  7.69  -94.82  0.86 
1 1 1 1  21 1 o 1 5.79   2.95 3.36   -8.72   0.65   171.29  1.95  171.29  0.22 
1 1 1 -1 22 1 o 1 9.06   3.37 10.10  -119.34 2.99   -119.35 3.39  60.65   0.70 
1 1 1 0  22 1 o 1 12.30  0.68 9.49   48.05   11.47  48.08   1.14  48.08   0.84 
1 1 1 1  22 1 f 0 10.63  2.58 9.56   -72.37  9.25   -72.36  0.00  0.00    0.77 
1 1 1 -1 23 1 o 1 7.47   3.09 6.97   94.10   0.96   94.11   2.89  -85.89  0.52 
1 1 1 0  23 1 o 1 4.29   1.08 6.72   22.39   3.19   -157.65 4.84  -157.65 0.39 
1 1 1 1  23 1 o 1 4.56   1.98 6.61   -21.44  2.97   158.56  4.68  158.56  0.38 
1 1 1 -1 24 1 o 1 10.68  3.29 15.10  -101.39 3.50   -101.39 5.56  78.61   0.85 
1 1 1 0  24 1 o 1 5.25   1.22 9.21   -20.89  2.94   159.12  5.93  159.12  0.57 
1 1 1 1  24 1 o 1 4.35   1.90 4.73   -100.00 2.24   80.01   3.41  80.01   0.27 
1 1 1 -1 25 1 o 1 7.28   2.46 1.29   -10.95  0.48   -10.95  0.39  169.05  0.12 
1 1 1 0  25 1 o 1 4.24   1.09 2.23   49.77   1.00   -130.23 1.58  -130.23 0.14 
1 1 1 0  26 1 o 1 5.54   1.14 4.11   14.98   0.50   -165.02 2.24  -165.02 0.31 
1 1 1 -2 0  2 o 1 0.03   6.74 1.99   0.00    1.93   180.00  1.93  180.00  0.00 
1 1 1 -1 0  2 o 1 8.15   1.51 10.29  -180.00 3.62   -180.00 3.31  0.00    0.85 
1 1 1 0  0  2 o 1 46.95  1.01 68.85  0.00    34.44  -0.00   12.51 180.00  1.00 
1 1 1 1  0  2 o 1 26.03  4.65 47.80  -180.00 6.03   -180.00 20.00 0.00    1.00 
1 1 1 2  0  2 o 1 0.01   6.74 2.30   -180.00 2.22   0.00    2.22  0.00    0.00 
1 1 1 -2 1  2 o 1 6.76   2.74 2.67   -150.83 0.33   -150.86 1.13  29.14   0.22 
1 1 1 -1 1  2 o 1 36.49  3.22 45.42  64.76   28.79  67.06   7.20  -112.94 0.99 
1 1 1 0  1  2 o 1 32.65  0.49 27.53  143.46  37.39  148.82  5.35  148.82  0.98 
1 1 1 1  1  2 o 1 25.85  1.15 18.89  -147.52 31.57  -146.98 6.65  -146.98 0.96 
1 1 1 2  1  2 o 1 11.63  1.39 5.84   -104.52 10.32  -104.51 2.33  -104.51 0.69 
1 1 1 -2 2  2 f 0 5.46   1.79 8.13   169.50  7.87   169.48  0.00  0.00    0.52 
1 1 1 -1 2  2 o 1 20.34  4.18 17.03  -58.85  21.48  -57.73  2.76  -57.73  0.92 
1 1 1 0  2  2 f 0 19.80  0.40 25.14  -108.44 21.43  -93.84  0.00  0.00    0.96 
1 1 1 1  2  2 o 1 16.49  3.09 15.96  155.48  14.61  155.51  0.48  -24.49  0.91 
1 1 1 2  2  2 o 1 8.13   2.54 5.41   -124.61 2.61   -124.60 1.31  55.40   0.48 
1 1 1 -2 3  2 o 1 8.90   3.10 5.90   89.32   3.52   89.32   1.10  -90.68  0.52 
1 1 1 -1 3  2 f 0 65.46  3.22 54.09  10.86   52.42  11.09   0.00  0.00    0.99 
1 1 1 0  3  2 o 1 16.12  0.39 18.15  144.99  13.07  129.92  2.09  -50.08  0.94 
1 1 1 1  3  2 f 0 14.37  2.18 14.89  111.77  14.63  111.46  0.00  0.00    0.91 
1 1 1 2  3  2 o 1 6.46   2.03 5.86   -143.58 0.16   -143.58 2.76  36.42   0.45 
1 1 1 -2 4  2 o 1 23.67  1.99 20.24  -149.11 25.88  -149.13 3.14  -149.13 0.96 
1 1 1 -1 4  2 o 1 35.77  1.72 27.18  -176.79 44.15  -174.43 9.06  -174.43 0.98 
1 1 1 0  4  2 o 1 11.88  0.45 15.65  -87.18  5.16   -100.80 5.70  79.20   0.91 
1 1 1 1  4  2 o 1 6.90   3.09 11.46  19.14   1.82   -160.97 6.43  -160.97 0.67 
1 1 1 2  4  2 o 1 5.25   1.70 5.25   -75.21  1.34   104.79  3.21  104.79  0.36 
1 1 1 -2 5  2 o 1 10.94  3.30 12.07  24.89   6.00   24.90   2.84  -155.10 0.81 
1 1 1 -1 5  2 o 1 25.95  3.70 20.22  35.93   29.40  32.71   4.61  32.71   0.96 
1 1 1 0  5  2 o 1 90.27  1.03 81.06  -73.93  101.73 -76.13  11.68 -76.13  1.00 
1 1 1 1  5  2 o 1 12.19  1.92 21.56  28.21   1.78   27.96   9.52  -152.04 0.93 
1 1 1 2  5  2 o 1 3.07   1.39 7.35   -155.38 5.24   24.62   6.17  24.62   0.31 
1 1 1 -2 6  2 f 0 22.79  2.62 14.72  168.40  14.24  168.42  0.00  0.00    0.94 
1 1 1 -1 6  2 o 1 13.30  3.18 9.23   126.31  11.90  124.03  1.04  124.03  0.82 
1 1 1 0  6  2 o 1 23.84  0.56 29.19  -99.54  18.14  -96.88  5.12  83.12   0.98 
1 1 1 1  6  2 o 1 16.41  2.50 17.61  -135.99 13.48  -135.96 1.75  44.04   0.93 
1 1 1 2  6  2 o 1 3.99   1.62 6.76   20.54   3.73   -159.47 5.13  -159.47 0.35 
1 1 1 -2 7  2 o 1 4.26   2.01 2.15   -84.16  1.05   96.02   1.57  96.02   0.12 
1 1 1 -1 7  2 o 1 10.93  1.99 14.97  122.69  4.05   123.93  5.61  -56.07  0.88 
1 1 1 0  7  2 o 1 83.85  1.12 86.03  -80.06  83.28  -79.77  0.38  100.23  1.00 
1 1 1 1  7  2 o 1 7.87   1.55 13.19  -117.15 0.14   62.70   6.47  62.70   0.80 
1 1 1 2  7  2 o 1 7.09   1.85 6.46   -167.25 1.23   -167.25 2.51  12.75   0.53 
1 1 1 -2 8  2 o 1 5.48   2.42 2.51   9.18    0.54   -170.75 1.48  -170.75 0.17 
1 1 1 -1 8  2 o 1 7.27   3.10 6.71   97.07   0.73   98.08   2.69  -81.92  0.47 
1 1 1 0  8  2 o 1 54.80  1.32 51.97  -70.88  59.26  -70.74  4.80  -70.74  0.99 
1 1 1 1  8  2 o 1 21.61  2.72 16.11  162.43  25.04  162.58  4.74  162.58  0.94 
1 1 1 2  8  2 o 1 2.45   1.16 6.07   47.73   4.84   -132.26 5.35  -132.26 0.21 
1 1 1 -2 9  2 o 1 3.43   1.65 6.76   -71.48  4.43   108.50  5.48  108.50  0.31 
1 1 1 -1 9  2 o 1 10.90  2.43 12.66  37.97   6.17   37.50   2.99  -142.50 0.84 
1 1 1 0  9  2 o 1 33.49  0.71 23.03  -34.58  42.89  -33.51  10.13 -33.51  0.98 
1 1 1 1  9  2 o 1 4.56   2.11 7.11   -174.80 3.27   5.15    5.06  5.15    0.39 
1 1 1 2  9  2 o 1 3.26   1.50 1.58   160.24  1.05   -19.75  1.29  -19.75  0.07 
1 1 1 -2 10 2 o 1 16.05  2.17 8.99   -27.82  18.76  -27.82  5.03  -27.82  0.86 
1 1 1 -1 10 2 o 1 20.10  2.52 16.13  -25.89  21.99  -25.68  3.16  -25.68  0.94 
1 1 1 0  10 2 o 1 45.75  1.12 37.14  -154.00 54.71  -153.61 9.43  -153.61 0.99 
1 1 1 1  10 2 o 1 6.25   2.24 9.71   -103.82 1.68   75.94   5.53  75.94   0.62 
1 1 1 2  10 2 o 1 2.63   1.23 5.29   104.48  4.09   -75.52  4.61  -75.52  0.20 
1 1 1 -2 11 2 f 0 17.91  1.54 15.09  -70.25  14.61  -70.25  0.00  0.00    0.93 
1 1 1 -1 11 2 o 1 19.41  2.83 13.02  84.28   22.84  83.57   5.10  83.57   0.91 
1 1 1 0  11 2 o 1 13.25  0.69 14.68  41.89   9.86   42.99   2.19  -137.01 0.91 
1 1 1 1  11 2 f 0 11.00  1.86 5.51   -131.45 5.32   -131.27 0.00  0.00    0.63 
1 1 1 2  11 2 o 1 2.45   1.17 3.97   98.31   3.15   -81.68  3.50  -81.68  0.14 
1 1 1 -2 12 2 o 1 14.57  2.78 13.16  -111.11 13.04  -111.11 0.15  -111.11 0.88 
1 1 1 -1 12 2 o 1 12.56  1.88 15.70  67.62   7.44   67.71   3.89  -112.29 0.90 
1 1 1 0  12 2 o 1 7.71   0.57 12.21  115.06  0.37   116.72  5.78  -63.28  0.80 
1 1 1 1  12 2 o 1 3.56   1.58 8.33   17.83   5.35   -162.10 6.72  -162.10 0.38 
1 1 1 2  12 2 o 1 3.40   1.43 3.23   -121.06 2.08   58.95   2.60  58.95   0.15 
1 1 1 -2 13 2 o 1 7.77   2.59 7.86   -42.18  1.76   -42.18  2.93  137.82  0.60 
1 1 1 -1 13 2 o 1 12.99  3.71 14.74  92.73   8.25   92.92   2.97  -87.08  0.86 
1 1 1 0  13 2 o 1 12.86  0.53 16.01  -77.70  8.03   -78.02  3.73  101.98  0.91 
1 1 1 1  13 2 o 1 4.97   2.09 4.42   112.69  1.50   -67.16  2.90  -67.16  0.28 
1 1 1 -2 14 2 o 1 11.12  2.46 3.02   -157.45 5.79   -157.44 1.43  -157.44 0.39 
1 1 1 -1 14 2 o 1 6.78   3.18 6.95   99.05   0.30   -81.00  3.52  -81.00  0.47 
1 1 1 0  14 2 o 1 7.29   0.65 20.90  -6.03   7.56   174.03  13.99 174.03  0.88 
1 1 1 1  14 2 o 1 13.81  1.18 23.01  -49.88  3.78   -49.92  9.25  130.08  0.94 
1 1 1 -2 15 2 o 1 3.26   1.57 2.08   64.57   1.39   -115.44 1.70  -115.44 0.09 
1 1 1 -1 15 2 o 1 15.28  3.62 12.85  79.66   14.15  79.77   0.83  79.77   0.87 
1 1 1 0  15 2 o 1 8.08   1.37 2.90   63.78   2.27   62.95   0.23  -117.05 0.31 
1 1 1 1  15 2 o 1 11.81  3.49 10.55  167.32  8.38   167.40  0.91  -12.60  0.79 
1 1 1 -2 16 2 o 1 4.92   2.11 1.20   -86.76  0.39   93.22   0.78  93.22   0.08 
1 1 1 -1 16 2 o 1 8.15   3.05 4.13   -91.41  1.99   -91.56  1.01  88.44   0.37 
1 1 1 0  16 2 o 1 10.49  0.94 10.01  165.87  7.42   165.67  1.14  -14.33  0.82 
1 1 1 1  16 2 o 1 34.61  2.12 35.23  -20.37  34.04  -20.36  0.03  159.64  0.98 
1 1 1 -2 17 2 o 1 5.01   2.12 3.95   120.99  1.29   -59.01  2.55  -59.01  0.25 
1 1 1 -1 17 2 o 1 10.16  2.81 12.25  119.42  4.63   119.42  3.60  -60.58  0.81 
1 1 1 0  17 2 o 1 10.23  0.59 8.93   -1.10   7.46   -0.90   0.61  179.10  0.79 
1 1 1 1  17 2 o 1 7.52   3.31 4.00   -110.27 0.94   -110.21 1.46  69.79   0.32 
1 1 1 -2 18 2 o 1 3.88   1.75 2.21   34.83   1.23   -145.18 1.69  -145.18 0.12 
1 1 1 -1 18 2 o 1 14.66  3.55 15.88  -62.06  10.86  -62.04  2.26  117.96  0.89 
1 1 1 0  18 2 o 1 9.40   1.10 5.04   -116.03 5.76   -116.29 0.43  -116.29 0.57 
1 1 1 1  18 2 o 1 22.05  2.01 26.79  -32.98  16.76  -32.98  4.58  147.02  0.97 
1 1 1 -1 19 2 o 1 23.74  3.06 24.13  115.22  22.32  115.22  0.51  -64.78  0.96 
1 1 1 0  19 2 o 1 5.69   1.00 5.49   -48.77  0.58   131.13  2.94  131.13  0.41 
1 1 1 1  19 2 o 1 8.27   2.32 8.27   -101.90 2.85   -101.92 2.58  78.08   0.66 
1 1 1 -1 20 2 o 1 29.19  2.78 25.63  -43.89  31.95  -43.88  3.57  -43.88  0.97 
1 1 1 0  20 2 o 1 8.54   0.82 5.33   178.38  4.33   178.34  0.41  -1.66   0.56 
1 1 1 1  20 2 o 1 4.29   1.98 4.37   -85.14  2.13   94.86   3.18  94.86   0.24 
1 1 1 -1 21 2 o 1 15.54  1.72 15.91  79.04   13.31  79.05   1.04  -100.95 0.92 
1 1 1 0  21 2 f 0 9.14   0.86 7.20   73.66   6.97   73.65   0.00  0.00    0.69 
1 1 1 1  21 2 o 1 5.19   2.01 7.21   -156.60 2.33   23.40   4.65  23.40   0.45 
1 1 1 -1 22 2 f 0 9.49   3.15 9.98   -55.40  9.66   -55.41  0.00  0.00    0.73 
1 1 1 0  22 2 o 1 4.48   1.08 9.24   66.96   4.33   -113.04 6.63  -113.04 0.51 
1 1 1 1  22 2 o 1 3.83   1.70 5.81   -53.61  3.37   126.39  4.49  126.39  0.29 
1 1 1 -1 23 2 o 1 4.82   2.14 6.00   24.20   2.37   -155.80 4.09  -155.80 0.36 
1 1 1 0  23 2 o 1 11.08  0.87 11.08  59.36   8.05   59.36   1.34  -120.64 0.85 
1 1 1 -1 24 2 o 1 4.36   2.07 3.09   127.40  1.45   -52.60  2.22  -52.60  0.18 
1 1 1 0  24 2 o 1 6.88   1.35 13.61  71.02   2.41   -108.98 7.79  -108.98 0.78 
1 1 1 0  25 2 o 1 7.61   1.65 4.59   7.62    2.20   7.62    1.12  -172.38 0.44 
1 1 1 -2 0  3 o 1 6.42   1.14 9.10   -180.00 0.17   -180.00 4.32  0.00    0.70 
1 1 1 -1 0  3 o 1 42.83  3.56 51.22  -180.00 35.59  -180.00 7.25  0.00    1.00 
1 1 1 0  0  3 o 1 62.93  1.77 57.44  0.00    69.76  0.00    6.84  0.00    1.00 
1 1 1 1  0  3 o 1 0.01   6.74 1.64   -180.00 1.60   0.00    1.60  0.00    0.00 
1 1 1 2  0  3 x 0 ?      ?    0.65   -180.00 0.63   -180.00 0.00  0.00    0.00 
1 1 1 -2 1  3 f 0 10.37  3.30 10.36  56.85   10.03  56.83   0.00  0.00    0.76 
1 1 1 -1 1  3 o 1 9.34   3.61 16.18  76.47   0.26   -104.04 8.00  -104.04 0.83 
1 1 1 0  1  3 o 1 22.01  0.37 22.07  24.02   20.93  22.63   0.33  -157.37 0.97 
1 1 1 1  1  3 o 1 4.14   1.87 4.41   -170.18 2.24   9.94    3.23  9.94    0.24 
1 1 1 2  1  3 o 1 2.70   1.24 3.39   -174.73 2.57   5.27    2.93  5.27    0.13 
1 1 1 -2 2  3 o 1 15.19  2.30 15.47  -152.54 12.79  -152.53 1.09  27.47   0.91 
1 1 1 -1 2  3 o 1 25.94  2.45 31.78  -172.26 20.23  -172.26 5.07  7.74    0.98 
1 1 1 0  2  3 o 1 40.99  0.69 41.80  -3.00   41.15  -3.18   0.57  -3.18   0.99 
1 1 1 1  2  3 o 1 10.34  2.83 7.88   -64.42  6.71   -64.18  0.45  115.82  0.69 
1 1 1 2  2  3 o 1 2.80   1.33 1.01   112.10  0.75   -67.89  0.86  -67.89  0.04 
1 1 1 -2 3  3 o 1 11.59  2.61 13.58  46.27   6.79   46.28   3.18  -133.72 0.86 
1 1 1 -1 3  3 f 0 12.89  3.20 13.78  -75.93  13.30  -76.69  0.00  0.00    0.87 
1 1 1 0  3  3 o 1 7.25   0.92 7.34   -46.72  1.89   -42.49  2.35  137.51  0.58 
1 1 1 1  3  3 o 1 19.30  1.80 17.80  152.00  19.24  152.06  1.00  152.06  0.95 
1 1 1 2  3  3 x 0 ?      ?    9.36   -142.36 9.06   -142.36 0.00  0.00    0.00 
1 1 1 -2 4  3 o 1 3.41   1.66 2.69   74.32   1.75   -105.60 2.18  -105.60 0.13 
1 1 1 -1 4  3 o 1 18.98  1.55 11.42  -169.99 23.54  -170.07 6.18  -170.07 0.91 
1 1 1 0  4  3 f 0 5.58   0.46 9.87   -136.01 9.34   -135.24 0.00  0.00    0.62 
1 1 1 1  4  3 o 1 12.16  2.11 15.49  171.52  6.72   171.67  4.15  -8.33   0.89 
1 1 1 2  4  3 o 1 2.70   1.34 3.00   -9.85   2.28   170.14  2.59  170.14  0.12 
1 1 1 -2 5  3 o 1 8.52   2.97 9.60   108.62  2.43   108.63  3.43  -71.37  0.69 
1 1 1 -1 5  3 o 1 9.78   2.95 2.61   -22.07  3.27   -22.89  0.31  -22.89  0.30 
1 1 1 0  5  3 o 1 38.07  0.84 38.99  99.12   37.92  99.49   0.29  99.49   0.99 
1 1 1 1  5  3 o 1 18.90  1.97 26.78  130.62  10.45  130.58  7.74  -49.42  0.96 
1 1 1 -2 6  3 f 0 6.13   2.91 7.52   62.64   7.27   62.64   0.00  0.00    0.48 
1 1 1 -1 6  3 o 1 17.72  2.93 12.70  -13.18  19.64  -13.46  3.67  -13.46  0.90 
1 1 1 0  6  3 o 1 29.77  0.93 22.02  -84.93  36.65  -84.87  7.66  -84.87  0.97 
1 1 1 1  6  3 o 1 9.92   2.27 9.96   -1.64   5.68   -1.51   1.99  178.49  0.77 
1 1 1 -2 7  3 o 1 9.21   2.44 9.28   129.70  4.37   129.71  2.30  -50.29  0.72 
1 1 1 -1 7  3 o 1 5.36   2.70 6.38   148.45  2.03   -32.20  4.11  -32.20  0.39 
1 1 1 0  7  3 o 1 14.60  0.69 13.53  68.07   13.40  67.91   0.10  67.91   0.91 
1 1 1 1  7  3 o 1 12.15  1.74 17.23  74.98   5.41   74.93   5.62  -105.07 0.91 
1 1 1 -2 8  3 o 1 3.80   1.89 1.35   -137.28 0.78   42.78   1.04  42.78   0.07 
1 1 1 -1 8  3 o 1 23.90  3.18 12.77  61.91   31.86  62.13   9.73  62.13   0.93 
1 1 1 0  8  3 o 1 58.77  1.15 64.66  -95.44  54.47  -95.52  4.04  84.48   1.00 
1 1 1 1  8  3 o 1 3.46   1.56 3.77   -179.41 2.40   0.72    3.02  0.72    0.18 
1 1 1 -2 9  3 o 1 8.35   2.54 7.68   137.57  2.97   137.56  2.23  -42.44  0.62 
1 1 1 -1 9  3 o 1 5.96   2.09 11.98  139.89  3.51   -39.95  7.57  -39.95  0.68 
1 1 1 0  9  3 o 1 43.09  1.05 38.43  -63.18  48.12  -63.17  5.48  -63.17  0.99 
1 1 1 1  9  3 o 1 7.30   2.28 3.96   47.40   1.30   47.67   1.27  -132.33 0.35 
1 1 1 -2 10 3 o 1 4.16   1.94 4.09   164.63  2.10   -15.39  3.03  -15.39  0.22 
1 1 1 -1 10 3 o 1 7.01   2.55 5.62   6.99    0.75   6.76    2.37  -173.24 0.45 
1 1 1 0  10 3 o 1 48.50  0.99 32.43  -105.60 64.54  -105.59 16.57 -105.59 0.99 
1 1 1 1  10 3 o 1 10.26  2.30 14.35  106.77  3.67   106.81  5.11  -73.19  0.86 
1 1 1 -2 11 3 f 0 5.51   2.57 3.67   131.46  3.55   131.45  0.00  0.00    0.25 
1 1 1 -1 11 3 f 0 7.93   3.11 4.94   -119.89 4.78   -119.78 0.00  0.00    0.41 
1 1 1 0  11 3 x 0 ?      ?    43.65  -109.54 42.29  -109.50 0.00  0.00    0.00 
1 1 1 1  11 3 o 1 12.93  2.20 20.08  -173.05 4.45   -173.02 7.49  6.98    0.92 
1 1 1 -2 12 3 o 1 7.81   2.60 5.53   -123.25 2.05   -123.25 1.66  56.75   0.47 
1 1 1 -1 12 3 o 1 3.61   1.81 6.00   -157.96 3.77   21.97   4.80  21.97   0.29 
1 1 1 0  12 3 f 0 19.91  0.61 28.51  -104.25 27.63  -104.14 0.00  0.00    0.97 
1 1 1 1  12 3 o 1 22.06  2.84 20.82  56.41   21.93  56.38   0.89  56.38   0.95 
1 1 1 -2 13 3 o 1 5.46   2.20 8.49   -120.53 2.56   59.48   5.39  59.48   0.52 
1 1 1 -1 13 3 o 1 5.46   2.32 4.41   48.93   1.02   -131.16 2.64  -131.16 0.30 
1 1 1 0  13 3 f 0 8.08   0.77 7.66   -163.17 7.41   -163.52 0.00  0.00    0.67 
1 1 1 1  13 3 f 0 28.60  1.82 26.74  179.90  25.87  179.89  0.00  0.00    0.98 
1 1 1 -2 14 3 o 1 6.46   2.21 9.47   -143.22 1.16   36.78   5.16  36.78   0.62 
1 1 1 -1 14 3 o 1 5.26   2.85 1.62   160.91  0.49   -19.30  1.03  -19.30  0.10 
1 1 1 0  14 3 o 1 4.25   1.02 10.69  115.29  5.70   -64.72  8.05  -64.72  0.55 
1 1 1 1  14 3 o 1 22.38  2.75 14.83  44.39   27.55  44.40   6.60  44.40   0.94 
1 1 1 -2 15 3 o 1 7.18   2.72 5.39   -108.19 0.93   -108.19 2.14  71.81   0.43 
1 1 1 -1 15 3 o 1 25.88  2.12 15.42  103.14  34.31  103.11  9.69  103.11  0.95 
1 1 1 0  15 3 o 1 4.00   1.01 2.66   -39.19  1.35   140.54  1.97  140.54  0.15 
1 1 1 1  15 3 o 1 13.53  2.50 14.97  168.20  9.76   168.20  2.37  -11.80  0.90 
1 1 1 -2 16 3 o 1 5.32   2.01 8.20   -157.70 2.58   22.30   5.26  22.30   0.50 
1 1 1 -1 16 3 o 1 23.39  3.88 24.44  23.28   21.09  23.28   1.28  -156.72 0.96 
1 1 1 0  16 3 o 1 9.13   0.71 6.39   -30.13  5.67   -30.28  0.26  149.72  0.65 
1 1 1 1  16 3 o 1 5.19   2.45 2.35   7.53    0.68   -172.46 1.48  -172.46 0.15 
1 1 1 -1 17 3 o 1 23.19  1.52 16.11  120.47  28.53  120.48  6.47  120.48  0.95 
1 1 1 0  17 3 o 1 10.75  0.69 4.73   -89.00  8.31   -88.97  1.87  -88.97  0.60 
1 1 1 1  17 3 o 1 5.62   2.59 3.97   104.84  0.83   -75.17  2.33  -75.17  0.27 
1 1 1 -1 18 3 o 1 14.08  3.79 18.47  -23.37  7.53   -23.38  5.17  156.62  0.90 
1 1 1 0  18 3 o 1 8.12   1.58 8.37   -18.35  2.96   -18.32  2.57  161.68  0.68 
1 1 1 1  18 3 o 1 5.49   2.08 4.37   -85.96  0.89   94.05   2.56  94.05   0.30 
1 1 1 -1 19 3 o 1 7.98   2.87 3.36   113.31  1.64   113.32  0.81  -66.68  0.31 
1 1 1 0  19 3 o 1 20.17  1.07 8.88   -59.14  27.64  -59.12  9.52  -59.12  0.90 
1 1 1 1  19 3 o 1 6.53   2.77 5.27   -63.01  0.06   116.99  2.58  116.99  0.39 
1 1 1 -1 20 3 o 1 5.10   2.28 6.15   -53.38  2.10   126.62  4.03  126.62  0.38 
1 1 1 0  20 3 o 1 5.45   1.32 4.83   -45.23  0.83   134.76  2.75  134.76  0.35 
1 1 1 -1 21 3 o 1 5.29   2.39 3.02   -30.69  0.80   149.32  1.87  149.32  0.20 
1 1 1 0  21 3 o 1 9.25   1.11 9.83   -98.06  4.92   -98.06  2.30  81.94   0.78 
1 1 1 -1 22 3 o 1 3.96   1.94 1.82   -99.09  0.99   80.92   1.38  80.92   0.10 
1 1 1 0  22 3 f 0 7.67   1.29 9.14   23.02   8.85   23.02   0.00  0.00    0.70 
1 1 1 0  23 3 o 1 9.29   1.99 3.93   -101.91 4.36   -101.91 0.28  -101.91 0.44 
1 1 1 -2 0  4 o 1 14.65  1.39 15.71  -180.00 14.03  -180.00 0.58  0.00    1.00 
1 1 1 -1 0  4 o 1 4.34   2.60 9.06   -180.00 4.50   0.00    6.64  0.00    0.49 
1 1 1 0  0  4 o 1 12.47  0.72 8.94   0.00    14.62  -0.00   3.05  -0.00   0.93 
1 1 1 1  0  4 o 1 4.32   2.50 10.02  0.00    5.10   180.00  7.40  180.00  0.53 
1 1 1 -2 1  4 o 1 8.07   3.39 6.67   68.76   1.80   68.74   2.33  -111.26 0.51 
1 1 1 -1 1  4 o 1 5.21   1.95 8.69   135.35  3.02   -44.23  5.74  -44.23  0.52 
1 1 1 0  1  4 o 1 16.11  0.50 18.20  136.44  12.68  136.65  2.49  -43.35  0.94 
1 1 1 1  1  4 o 1 5.93   2.71 3.65   -168.97 0.49   11.05   2.01  11.05   0.26 
1 1 1 -2 2  4 o 1 12.48  2.80 15.97  127.86  6.75   127.86  4.36  -52.14  0.89 
1 1 1 -1 2  4 o 1 14.84  2.58 24.42  55.25   4.35   55.28   9.65  -124.72 0.94 
1 1 1 0  2  4 o 1 19.76  0.55 21.55  -49.36  17.00  -49.20  1.97  130.80  0.96 
1 1 1 1  2  4 o 1 5.45   1.93 10.38  -7.26   3.47   172.74  6.76  172.74  0.60 
1 1 1 -2 3  4 o 1 7.98   2.77 3.14   4.45    1.61   4.45    0.71  -175.55 0.29 
1 1 1 -1 3  4 o 1 12.75  3.75 8.10   131.74  10.62  131.37  1.39  131.37  0.72 
1 1 1 0  3  4 o 1 25.86  0.72 29.55  88.27   21.92  88.17   3.37  -91.83  0.98 
1 1 1 1  3  4 o 1 4.04   1.70 4.94   169.81  2.63   -10.20  3.71  -10.20  0.27 
1 1 1 -2 4  4 o 1 5.47   2.56 2.85   150.24  0.66   -29.73  1.71  -29.73  0.19 
1 1 1 -1 4  4 o 1 9.99   3.23 19.79  77.55   1.55   -102.52 10.35 -102.52 0.88 
1 1 1 0  4  4 o 1 21.13  1.22 29.09  -43.16  12.95  -43.19  7.58  136.81  0.97 
1 1 1 1  4  4 o 1 6.69   2.76 3.79   -103.83 0.29   -103.83 1.69  76.17   0.30 
1 1 1 -2 5  4 o 1 3.74   1.82 6.71   10.48   4.07   -169.51 5.28  -169.51 0.32 
1 1 1 -1 5  4 o 1 14.16  3.65 18.12  157.12  8.07   157.21  4.72  -22.79  0.90 
1 1 1 0  5  4 f 0 27.43  0.96 22.82  27.26   22.05  27.16   0.00  0.00    0.97 
1 1 1 1  5  4 o 1 6.31   2.52 5.68   171.13  0.31   -8.85   2.90  -8.85   0.41 
1 1 1 -2 6  4 o 1 4.69   2.23 4.94   -165.34 2.07   14.66   3.42  14.66   0.29 
1 1 1 -1 6  4 o 1 10.27  3.01 13.71  29.71   3.81   29.82   4.72  -150.18 0.83 
1 1 1 0  6  4 f 0 9.34   0.73 4.90   -158.17 4.73   -157.92 0.00  0.00    0.56 
1 1 1 1  6  4 f 0 20.63  1.62 14.43  163.57  13.96  163.57  0.00  0.00    0.94 
1 1 1 -2 7  4 o 1 7.60   2.88 4.74   45.49   1.43   45.49   1.58  -134.51 0.40 
1 1 1 -1 7  4 o 1 7.95   3.27 7.91   -144.18 1.51   -144.45 3.07  35.55   0.58 
1 1 1 0  7  4 o 1 30.25  1.06 14.03  7.24    44.41  7.37    15.41 7.37    0.96 
1 1 1 1  7  4 o 1 11.73  2.15 9.56   -154.98 9.67   -154.99 0.21  -154.99 0.81 
1 1 1 -2 8  4 o 1 3.03   1.54 3.11   -134.16 2.22   45.84   2.62  45.84   0.13 
1 1 1 -1 8  4 o 1 3.72   1.81 5.74   7.96    3.47   -172.22 4.51  -172.22 0.28 
1 1 1 0  8  4 o 1 14.36  0.56 9.66   96.13   15.60  96.22   3.12  96.22   0.87 
1 1 1 1  8  4 o 1 21.68  2.05 21.39  85.28   20.87  85.28   0.08  85.28   0.96 
1 1 1 -2 9  4 o 1 3.79   1.89 3.53   86.68   2.06   -93.32  2.74  -93.32  0.18 
1 1 1 -1 9  4 o 1 8.02   2.81 6.87   -157.57 2.21   -157.37 2.22  22.63   0.55 
1 1 1 0  9  4 f 0 8.49   1.06 14.36  -174.17 13.89  -174.13 0.00  0.00    0.84 
1 1 1 1  9  4 o 1 19.32  1.01 14.59  -148.12 22.08  -148.12 3.98  -148.12 0.94 
1 1 1 -2 10 4 o 1 3.00   1.57 3.49   112.57  2.51   -67.44  2.94  -67.44  0.15 
1 1 1 -1 10 4 o 1 10.24  3.13 8.51   46.30   6.11   46.29   1.07  -133.71 0.70 
1 1 1 0  10 4 o 1 11.64  0.82 9.00   -156.05 10.31  -155.96 0.80  -155.96 0.82 
1 1 1 1  10 4 o 1 20.64  1.31 14.69  18.78   24.61  18.78   5.20  18.78   0.94 
1 1 1 -2 11 4 o 1 3.06   1.55 1.19   32.12   0.84   -147.89 1.00  -147.89 0.05 
1 1 1 -1 11 4 o 1 11.23  3.25 17.50  145.09  2.80   145.07  7.07  -34.93  0.88 
1 1 1 0  11 4 o 1 19.55  0.97 13.35  123.71  23.52  123.73  5.30  123.73  0.93 
1 1 1 1  11 4 o 1 10.59  2.89 7.80   -147.83 7.15   -147.81 0.20  32.19   0.69 
1 1 1 -2 12 4 o 1 3.96   1.95 2.08   82.98   1.14   -97.01  1.58  -97.01  0.11 
1 1 1 -1 12 4 o 1 23.69  3.47 22.60  41.16   23.45  41.17   0.79  41.17   0.96 
1 1 1 0  12 4 o 1 19.51  1.21 17.05  -134.19 20.42  -134.20 1.96  -134.20 0.95 
1 1 1 1  12 4 o 1 6.76   2.30 3.67   13.46   0.58   13.46   1.49  -166.54 0.31 
1 1 1 -1 13 4 f 0 17.54  4.15 11.12  176.71  10.77  176.72  0.00  0.00    0.86 
1 1 1 0  13 4 o 1 8.37   1.16 7.11   -155.32 3.95   -155.32 1.47  24.68   0.65 
1 1 1 1  13 4 o 1 4.51   2.04 3.20   32.76   1.39   -147.23 2.24  -147.23 0.19 
1 1 1 -1 14 4 o 1 24.72  3.45 18.38  15.70   29.11  15.70   5.66  15.70   0.95 
1 1 1 0  14 4 o 1 5.17   1.20 7.45   -159.32 2.19   20.67   4.70  20.67   0.48 
1 1 1 1  14 4 o 1 5.91   2.22 2.76   121.87  0.20   -58.12  1.44  -58.12  0.21 
1 1 1 -1 15 4 o 1 14.25  3.49 7.21   -135.16 13.96  -135.13 3.49  -135.13 0.73 
1 1 1 0  15 4 o 1 9.19   1.15 9.35   -179.03 4.99   -179.02 2.03  0.98    0.76 
1 1 1 -1 16 4 o 1 8.22   2.36 8.93   -22.47  2.52   -22.47  3.06  157.53  0.68 
1 1 1 0  16 4 f 0 9.14   0.78 9.14   157.86  8.85   157.87  0.00  0.00    0.76 
1 1 1 -1 17 4 o 1 9.68   2.31 5.56   -2.11   5.62   -2.11   0.12  -2.11   0.57 
1 1 1 0  17 4 o 1 4.08   1.04 6.46   -104.94 3.32   75.07   4.79  75.07   0.36 
1 1 1 -1 18 4 o 1 5.51   2.52 1.22   37.68   0.25   -142.29 0.71  -142.29 0.08 
1 1 1 0  18 4 f 0 6.67   0.91 9.81   121.71  9.50   121.71  0.00  0.00    0.69 
1 1 1 -1 19 4 o 1 9.66   3.05 10.29  24.98   4.42   24.98   2.77  -155.02 0.74 
1 1 1 0  19 4 o 1 4.10   0.96 9.19   -110.21 4.93   69.79   6.91  69.79   0.48 
1 1 1 -2 0  5 x 0 ?      ?    2.64   0.00    2.55   -0.00   0.00  0.00    0.00 
1 1 1 -1 0  5 o 1 0.01   6.74 0.95   -180.00 0.94   0.00    0.94  0.00    0.00 
1 1 1 0  0  5 x 0 ?      ?    27.32  0.00    26.45  0.00    0.00  0.00    0.00 
1 1 1 -2 1  5 o 1 3.40   1.77 0.85   170.62  0.55   -9.38   0.69  -9.38   0.04 
1 1 1 -1 1  5 o 1 9.12   3.14 9.88   -106.46 3.39   -106.45 3.09  73.55   0.71 
1 1 1 0  1  5 o 1 8.22   1.07 15.37  76.75   0.90   -103.28 7.89  -103.28 0.85 
1 1 1 -2 2  5 o 1 3.85   2.00 1.97   155.20  1.12   -24.81  1.51  -24.81  0.10 
1 1 1 -1 2  5 o 1 4.98   2.60 2.14   105.72  0.76   -74.62  1.42  -74.62  0.13 
1 1 1 0  2  5 o 1 10.28  1.35 10.03  -11.97  6.87   -11.96  1.42  168.04  0.81 
1 1 1 -2 3  5 x 0 ?      ?    7.97   72.43   7.71   72.43   0.00  0.00    1.00 
1 1 1 -1 3  5 o 1 4.21   2.11 1.07   47.86   0.53   -132.17 0.79  -132.17 0.06 
1 1 1 0  3  5 o 1 8.65   0.93 5.96   134.49  4.62   134.49  0.58  -45.51  0.60 
1 1 1 -2 4  5 o 1 3.53   1.79 5.05   98.25   3.22   -81.75  4.05  -81.75  0.24 
1 1 1 -1 4  5 o 1 12.29  2.61 10.55  98.69   10.08  98.71   0.07  -81.29  0.83 
1 1 1 0  4  5 o 1 5.91   1.61 3.11   138.50  0.06   -41.44  1.54  -41.44  0.25 
1 1 1 -1 5  5 o 1 9.41   2.87 10.43  71.23   4.00   71.25   3.04  -108.75 0.75 
1 1 1 0  5  5 o 1 7.76   1.38 6.04   -97.55  2.73   -97.53  1.56  82.47   0.55 
1 1 1 -1 6  5 f 0 12.74  3.99 9.52   92.46   9.22   92.46   0.00  0.00    0.76 
1 1 1 0  6  5 o 1 6.50   1.61 2.17   -108.41 0.41   -108.35 0.84  71.65   0.19 
1 1 1 -1 7  5 o 1 10.69  3.40 11.80  72.04   5.56   72.04   2.93  -107.96 0.79 
1 1 1 0  7  5 o 1 21.26  1.90 12.44  -41.15  27.40  -41.14  7.68  -41.14  0.93 
1 1 1 -1 8  5 o 1 17.82  3.83 18.61  56.42   14.92  56.41   1.54  -123.59 0.92 
1 1 1 0  8  5 o 1 27.93  1.87 15.05  -77.50  38.80  -77.51  12.11 -77.51  0.96 
1 1 1 -1 9  5 o 1 6.89   3.32 4.89   -58.02  0.13   -58.01  2.30  121.99  0.35 
1 1 1 0  9  5 o 1 26.28  1.63 19.18  -19.65  32.09  -19.65  6.76  -19.65  0.96 
1 1 1 -1 10 5 o 1 9.79   3.73 10.88  10.54   3.84   10.53   3.34  -169.47 0.73 
1 1 1 0  10 5 o 1 15.57  1.30 6.16   -72.64  18.63  -72.63  6.33  -72.63  0.79 
1 1 1 -1 11 5 o 1 15.05  3.16 14.17  -101.74 13.12  -101.74 0.30  78.26   0.89 
1 1 1 0  11 5 o 1 14.96  1.56 9.31   -57.32  16.72  -57.33  3.86  -57.33  0.86 
1 1 1 -1 12 5 o 1 6.83   2.89 3.67   37.16   0.37   37.17   1.59  -142.83 0.29 
1 1 1 0  12 5 f 0 12.33  1.79 0.99   -21.02  0.96   -21.05  0.00  0.00    0.17 
1 1 1 -1 13 5 o 1 5.90   2.44 6.46   159.43  1.11   -20.57  3.68  -20.57  0.44 
1 1 1 0  13 5 o 1 6.02   1.41 4.41   -177.49 0.02   2.51    2.15  2.51    0.35 
1 1 1 -1 14 5 o 1 6.30   2.77 3.98   132.97  0.17   -47.03  2.01  -47.03  0.29 
1 1 1 0  14 5 o 1 6.69   1.73 7.16   173.48  0.42   173.48  3.26  -6.52   0.55 
1 1 1 -1 0  6 x 0 ?      ?    2.96   -180.00 2.86   -180.00 0.00  0.00    0.00 
# 
#END OF REFLECTIONS
