data_3wr1fo
# 
_cell.entry_id      3wr1 
_cell.length_a      55.640 
_cell.length_b      55.640 
_cell.length_c      153.381 
_cell.angle_alpha   90.000 
_cell.angle_beta    90.000 
_cell.angle_gamma   120.000 
# 
_entry.id   3wr1 
# 
_symmetry.entry_id               3wr1 
_symmetry.space_group_name_H-M   'P 31 2 1' 
_symmetry.Int_Tables_number      152 
# 
loop_
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.pdbx_DELFWT 
_refln.pdbx_DELPHWT 
_refln.fom 
0   1  0  0.00   0.00    0.00 
-1  2  0  0.00   0.00    0.00 
0   2  0  0.00   0.00    0.00 
-1  3  0  0.00   0.00    0.00 
0   3  0  0.00   0.00    0.00 
-2  4  0  0.00   0.00    0.00 
-1  4  0  0.00   0.00    0.00 
0   4  0  57.14  -180.00 0.99 
-2  5  0  11.00  -139.90 1.00 
-1  5  0  61.79  169.58  0.99 
0   5  0  76.97  -180.00 1.00 
-3  6  0  178.14 -77.08  1.00 
-2  6  0  257.69 61.35   0.99 
-1  6  0  125.46 -25.39  0.97 
0   6  0  92.03  0.00    0.76 
-3  7  0  119.88 -146.02 0.98 
-2  7  0  125.14 -18.46  0.93 
-1  7  0  41.37  18.30   0.99 
0   7  0  32.80  -180.00 1.00 
-4  8  0  52.52  -1.72   0.96 
-3  8  0  133.72 109.30  0.98 
-2  8  0  150.82 -90.94  0.98 
-1  8  0  48.18  -116.86 0.98 
0   8  0  85.60  -180.00 0.96 
-4  9  0  45.65  -67.29  0.92 
-3  9  0  48.09  -60.90  0.87 
-2  9  0  101.35 80.88   0.89 
-1  9  0  96.59  -18.36  0.89 
0   9  0  419.38 -180.00 1.00 
-5  10 0  158.63 -59.11  0.94 
-4  10 0  24.56  17.79   0.98 
-3  10 0  57.62  136.28  0.98 
-2  10 0  73.69  51.08   0.96 
-1  10 0  85.05  10.25   0.96 
0   10 0  3.14   0.00    1.00 
-5  11 0  72.05  -125.55 0.96 
-4  11 0  228.07 -113.81 0.96 
-3  11 0  98.69  -104.84 0.74 
-2  11 0  203.12 20.58   0.88 
-1  11 0  5.07   -171.50 0.93 
0   11 0  175.07 -0.00   1.00 
-6  12 0  69.39  -160.76 0.92 
-5  12 0  8.19   161.68  0.98 
-4  12 0  313.04 -171.68 0.97 
-3  12 0  78.50  19.69   0.99 
-2  12 0  103.97 81.12   0.99 
-1  12 0  117.41 -155.77 0.99 
0   12 0  41.15  0.00    0.95 
-6  13 0  30.46  27.83   0.21 
-5  13 0  160.83 -52.17  0.85 
-4  13 0  54.22  -23.75  0.96 
-3  13 0  144.30 -78.73  0.84 
-2  13 0  15.51  7.39    0.96 
-1  13 0  95.63  114.05  0.95 
0   13 0  149.89 -0.00   0.94 
-7  14 0  253.78 39.83   0.90 
-6  14 0  69.71  127.76  0.61 
-5  14 0  114.16 154.62  0.98 
-4  14 0  128.20 -115.11 0.98 
-3  14 0  223.31 -36.86  0.94 
-2  14 0  51.90  -157.71 0.97 
-1  14 0  71.83  162.01  0.98 
-7  15 0  13.21  112.23  0.98 
-6  15 0  212.83 158.85  0.99 
-5  15 0  229.22 -4.77   0.99 
-4  15 0  86.71  -93.64  0.98 
-3  15 0  159.89 -33.65  0.99 
-1  1  1  0.00   0.00    0.00 
0   1  1  0.00   0.00    0.00 
-2  2  1  0.00   0.00    0.00 
-1  2  1  0.00   0.00    0.00 
0   2  1  0.00   0.00    0.00 
-3  3  1  0.00   0.00    0.00 
-2  3  1  0.00   0.00    0.00 
-1  3  1  0.00   0.00    0.00 
0   3  1  0.00   0.00    0.00 
-4  4  1  89.44  0.00    1.00 
-3  4  1  0.00   0.00    0.00 
-2  4  1  0.00   0.00    0.00 
-1  4  1  0.00   0.00    0.00 
0   4  1  2.21   120.00  0.94 
-5  5  1  75.21  -0.00   1.00 
-4  5  1  92.50  129.48  0.99 
-3  5  1  146.18 64.55   0.99 
-2  5  1  184.29 -96.97  0.99 
-1  5  1  52.65  60.21   1.00 
0   5  1  49.29  120.00  1.00 
-6  6  1  0.00   0.00    0.00 
-5  6  1  48.72  -168.60 0.82 
-4  6  1  150.82 88.79   1.00 
-3  6  1  174.40 72.82   0.97 
-2  6  1  7.96   157.20  1.00 
-1  6  1  133.31 55.72   0.99 
0   6  1  32.13  120.00  1.00 
-7  7  1  115.80 -0.00   1.00 
-6  7  1  115.76 -120.97 0.62 
-5  7  1  62.55  110.79  0.99 
-4  7  1  24.71  -121.66 0.99 
-3  7  1  222.54 14.12   0.99 
-2  7  1  71.08  -21.83  0.99 
-1  7  1  6.62   171.93  0.99 
0   7  1  48.64  120.00  0.43 
-8  8  1  46.38  0.00    0.52 
-7  8  1  31.77  -167.40 0.98 
-6  8  1  90.05  -177.03 0.93 
-5  8  1  89.35  -11.22  0.98 
-4  8  1  14.59  120.76  0.98 
-3  8  1  38.83  60.47   0.42 
-2  8  1  135.00 40.74   0.99 
-1  8  1  135.27 21.12   0.85 
0   8  1  23.64  -60.00  1.00 
-9  9  1  23.13  180.00  0.48 
-8  9  1  123.03 -163.81 0.95 
-7  9  1  108.51 -97.52  0.82 
-6  9  1  4.37   -3.51   0.95 
-5  9  1  10.90  -102.07 0.62 
-4  9  1  78.87  165.55  0.92 
-3  9  1  178.98 -145.85 0.90 
-2  9  1  110.66 -41.60  0.99 
-1  9  1  5.91   -94.96  0.98 
0   9  1  453.65 120.00  1.00 
-10 10 1  373.01 -180.00 0.96 
-9  10 1  177.31 -161.17 0.95 
-8  10 1  121.07 170.13  0.99 
-7  10 1  52.26  94.83   0.97 
-6  10 1  73.97  96.91   0.31 
-5  10 1  15.07  -19.80  0.98 
-4  10 1  24.67  -163.82 0.77 
-3  10 1  8.74   -99.97  0.98 
-2  10 1  157.42 -122.38 0.99 
-1  10 1  39.75  -93.15  0.99 
0   10 1  23.94  120.00  1.00 
-11 11 1  20.73  0.00    0.82 
-10 11 1  137.17 -156.54 0.96 
-9  11 1  108.32 57.96   0.99 
-8  11 1  100.65 -75.68  0.79 
-7  11 1  71.30  -67.21  0.99 
-6  11 1  69.39  105.59  0.91 
-5  11 1  228.90 140.35  0.94 
-4  11 1  14.14  -80.19  0.84 
-3  11 1  98.96  -29.11  0.71 
-2  11 1  261.34 73.70   0.99 
-1  11 1  135.86 71.20   0.96 
0   11 1  468.05 120.00  1.00 
-12 12 1  24.75  -180.00 0.40 
-11 12 1  67.54  -172.03 0.99 
-10 12 1  105.06 -107.02 0.96 
-9  12 1  157.52 82.77   0.81 
-8  12 1  441.59 -152.13 0.98 
-7  12 1  51.54  108.83  0.97 
-6  12 1  50.26  -34.83  0.61 
-5  12 1  52.22  133.02  0.71 
-4  12 1  29.61  -166.55 0.95 
-3  12 1  122.93 -152.93 0.90 
-2  12 1  109.52 -110.69 0.96 
-1  12 1  12.74  -92.08  0.99 
0   12 1  12.40  120.00  0.99 
-13 13 1  1.31   -180.00 0.01 
-12 13 1  98.07  11.78   0.66 
-11 13 1  19.41  91.65   0.98 
-10 13 1  73.90  -64.63  0.90 
-9  13 1  66.26  164.24  0.98 
-8  13 1  136.40 -33.30  0.68 
-7  13 1  125.73 166.90  0.89 
-6  13 1  176.72 125.41  0.98 
-5  13 1  115.43 -7.65   0.98 
-4  13 1  95.95  46.08   0.97 
-3  13 1  52.41  -66.54  0.86 
-2  13 1  231.06 -20.74  0.98 
-1  13 1  56.15  61.42   0.95 
0   13 1  206.95 -60.00  1.00 
-13 14 1  48.09  -105.61 0.99 
-12 14 1  19.25  125.76  0.99 
-11 14 1  106.94 -46.70  0.99 
-10 14 1  143.34 -45.67  0.90 
-9  14 1  72.15  127.29  0.97 
-8  14 1  83.49  -101.39 0.72 
-7  14 1  440.25 -66.64  0.96 
-6  14 1  132.11 18.13   0.94 
-5  14 1  77.99  67.75   0.97 
-4  14 1  52.61  31.69   0.95 
-3  14 1  22.42  156.17  0.99 
-2  14 1  84.03  176.12  1.00 
-1  14 1  37.24  -3.67   0.99 
-12 15 1  127.56 43.51   0.99 
-11 15 1  54.19  151.97  0.99 
-10 15 1  31.88  -159.24 0.82 
-9  15 1  40.47  -110.39 0.97 
-8  15 1  25.44  -164.21 0.99 
-7  15 1  75.71  70.60   0.98 
-6  15 1  18.86  47.58   1.00 
-5  15 1  176.42 -139.64 0.95 
-4  15 1  26.56  148.83  0.98 
-3  15 1  120.89 20.21   0.96 
-1  1  2  0.00   0.00    0.00 
0   1  2  0.00   0.00    0.00 
-2  2  2  0.00   0.00    0.00 
-1  2  2  0.00   0.00    0.00 
0   2  2  0.00   0.00    0.00 
-3  3  2  0.00   0.00    0.00 
-2  3  2  0.00   0.00    0.00 
-1  3  2  0.00   0.00    0.00 
0   3  2  0.00   0.00    0.00 
-4  4  2  72.96  -0.00   1.00 
-3  4  2  0.00   0.00    0.00 
-2  4  2  0.00   0.00    0.00 
-1  4  2  0.00   0.00    0.00 
0   4  2  73.19  60.00   1.00 
-5  5  2  98.94  180.00  1.00 
-4  5  2  69.63  -174.12 0.87 
-3  5  2  51.94  -114.85 0.79 
-2  5  2  39.72  -1.49   0.99 
-1  5  2  0.15   77.67   0.94 
0   5  2  6.57   -120.00 1.00 
-6  6  2  67.48  0.00    0.60 
-5  6  2  91.34  51.89   0.99 
-4  6  2  70.09  10.12   1.00 
-3  6  2  77.54  131.95  0.99 
-2  6  2  77.18  -75.51  0.98 
-1  6  2  79.62  73.69   0.98 
0   6  2  6.94   60.00   1.00 
-7  7  2  52.64  0.00    0.96 
-6  7  2  86.52  54.08   0.99 
-5  7  2  29.81  162.50  0.98 
-4  7  2  51.14  -160.87 0.99 
-3  7  2  52.13  -101.71 1.00 
-2  7  2  179.07 23.02   0.97 
-1  7  2  63.10  -157.49 0.98 
0   7  2  0.00   0.00    0.00 
-8  8  2  214.21 180.00  1.00 
-7  8  2  80.19  142.48  0.96 
-6  8  2  82.23  23.65   0.98 
-5  8  2  112.44 137.43  0.99 
-4  8  2  79.78  3.74    0.99 
-3  8  2  145.90 23.96   0.96 
-2  8  2  145.66 67.62   0.95 
-1  8  2  34.94  -20.63  0.86 
0   8  2  193.44 60.00   1.00 
-9  9  2  258.90 180.00  1.00 
-8  9  2  42.54  -26.15  0.93 
-7  9  2  63.73  74.37   0.98 
-6  9  2  55.84  -31.60  0.96 
-5  9  2  3.57   1.20    0.91 
-4  9  2  12.14  -162.65 0.96 
-3  9  2  102.59 77.25   0.77 
-2  9  2  39.58  -117.50 0.96 
-1  9  2  14.84  -133.40 0.98 
0   9  2  125.13 -120.00 1.00 
-10 10 2  83.71  -180.00 1.00 
-9  10 2  14.52  -173.76 0.99 
-8  10 2  35.06  144.92  0.99 
-7  10 2  68.42  2.49    0.90 
-6  10 2  122.50 92.82   0.99 
-5  10 2  56.42  -7.05   0.96 
-4  10 2  71.04  -32.97  0.99 
-3  10 2  228.63 -108.67 0.98 
-2  10 2  16.64  11.61   0.99 
-1  10 2  56.61  -109.50 0.98 
0   10 2  0.00   0.00    0.00 
-11 11 2  58.26  -0.00   0.74 
-10 11 2  92.99  173.64  0.98 
-9  11 2  15.94  19.81   0.70 
-8  11 2  18.28  69.00   0.94 
-7  11 2  85.31  -122.85 0.99 
-6  11 2  99.65  -159.44 0.90 
-5  11 2  52.08  -76.48  0.97 
-4  11 2  11.36  -127.79 0.79 
-3  11 2  10.49  -16.25  0.80 
-2  11 2  144.31 80.13   0.99 
-1  11 2  55.82  137.07  0.72 
0   11 2  62.66  60.00   1.00 
-12 12 2  173.50 -180.00 0.91 
-11 12 2  66.58  158.52  0.97 
-10 12 2  31.98  13.23   0.91 
-9  12 2  104.24 -6.68   0.87 
-8  12 2  135.71 -155.89 0.87 
-7  12 2  128.10 -104.34 0.97 
-6  12 2  153.61 -54.40  0.94 
-5  12 2  56.77  36.89   0.94 
-4  12 2  25.69  169.38  0.97 
-3  12 2  72.56  -27.29  0.98 
-2  12 2  221.77 -47.02  0.96 
-1  12 2  18.26  -122.42 0.88 
0   12 2  8.91   -120.00 0.07 
-13 13 2  51.40  0.00    1.00 
-12 13 2  296.60 155.97  0.85 
-11 13 2  67.07  151.43  0.88 
-10 13 2  175.13 -159.44 0.90 
-9  13 2  165.13 -10.50  0.95 
-8  13 2  80.05  -135.16 0.98 
-7  13 2  176.54 -125.52 0.94 
-6  13 2  149.27 -157.65 0.99 
-5  13 2  9.40   22.12   0.53 
-4  13 2  268.69 32.91   0.99 
-3  13 2  165.34 0.06    0.99 
-2  13 2  101.81 -87.36  0.98 
-1  13 2  204.04 -128.37 0.84 
0   13 2  39.44  60.00   0.34 
-13 14 2  159.87 113.72  0.98 
-12 14 2  10.21  1.96    0.99 
-11 14 2  89.49  17.48   0.99 
-10 14 2  58.89  -48.19  0.97 
-9  14 2  45.10  -30.01  0.97 
-8  14 2  121.74 131.15  0.67 
-7  14 2  24.85  177.20  0.90 
-6  14 2  87.55  105.22  0.97 
-5  14 2  171.01 130.39  0.97 
-4  14 2  202.99 67.23   0.97 
-3  14 2  84.84  41.49   0.96 
-2  14 2  106.79 -134.98 0.97 
-1  14 2  240.16 72.91   0.97 
-12 15 2  0.00   0.00    0.00 
-11 15 2  56.21  62.31   0.97 
-10 15 2  171.22 115.47  0.90 
-9  15 2  340.79 -15.39  0.99 
-8  15 2  120.51 173.45  0.98 
-7  15 2  50.73  172.17  0.99 
-6  15 2  151.72 -115.68 0.99 
-5  15 2  152.54 98.81   0.98 
-4  15 2  88.25  -66.70  0.96 
-3  15 2  0.00   0.00    0.00 
0   0  3  0.00   0.00    0.00 
-1  1  3  0.00   0.00    0.00 
0   1  3  0.00   0.00    0.00 
-2  2  3  0.00   0.00    0.00 
-1  2  3  0.00   0.00    0.00 
0   2  3  0.00   0.00    0.00 
-3  3  3  0.00   0.00    0.00 
-2  3  3  0.00   0.00    0.00 
-1  3  3  0.00   0.00    0.00 
0   3  3  0.00   0.00    0.00 
-4  4  3  30.23  180.00  1.00 
-3  4  3  129.72 -88.75  0.99 
-2  4  3  0.00   0.00    0.00 
-1  4  3  142.84 -113.82 0.99 
0   4  3  203.40 -180.00 0.92 
-5  5  3  20.94  0.00    0.57 
-4  5  3  33.37  159.88  1.00 
-3  5  3  13.16  -21.68  0.99 
-2  5  3  64.19  -17.78  0.99 
-1  5  3  54.47  27.89   0.95 
0   5  3  313.02 -0.00   1.00 
-6  6  3  49.06  0.00    1.00 
-5  6  3  104.24 137.96  0.97 
-4  6  3  25.32  150.69  1.00 
-3  6  3  112.70 -91.68  0.97 
-2  6  3  106.07 -40.52  0.98 
-1  6  3  1.32   -7.16   0.99 
0   6  3  19.93  0.00    0.96 
-7  7  3  446.27 0.00    1.00 
-6  7  3  122.62 74.84   0.95 
-5  7  3  135.57 -37.13  0.98 
-4  7  3  44.57  80.33   0.99 
-3  7  3  30.40  99.39   0.99 
-2  7  3  48.68  35.77   0.99 
-1  7  3  306.29 -88.93  0.99 
0   7  3  230.43 180.00  1.00 
-8  8  3  34.92  0.00    0.97 
-7  8  3  105.79 44.12   0.98 
-6  8  3  59.30  -116.48 0.96 
-5  8  3  19.80  142.93  0.98 
-4  8  3  26.74  6.23    0.98 
-3  8  3  131.12 156.82  0.96 
-2  8  3  92.40  -31.50  0.99 
-1  8  3  77.89  53.02   0.98 
0   8  3  63.73  -0.00   1.00 
-9  9  3  22.63  180.00  1.00 
-8  9  3  151.90 175.68  0.99 
-7  9  3  86.19  133.24  0.93 
-6  9  3  81.86  8.93    0.99 
-5  9  3  121.70 101.67  0.94 
-4  9  3  95.31  -55.05  0.92 
-3  9  3  63.13  -46.40  0.93 
-2  9  3  45.16  120.69  0.99 
-1  9  3  1.19   15.52   0.65 
0   9  3  140.60 180.00  0.93 
-10 10 3  7.88   0.00    1.00 
-9  10 3  133.56 35.74   0.98 
-8  10 3  297.47 28.88   0.94 
-7  10 3  112.47 169.37  0.96 
-6  10 3  151.84 -99.95  0.62 
-5  10 3  117.85 158.18  0.73 
-4  10 3  192.13 -130.22 0.95 
-3  10 3  219.23 -32.50  0.84 
-2  10 3  37.38  -97.50  0.90 
-1  10 3  63.70  146.24  0.99 
0   10 3  0.00   0.00    0.00 
-11 11 3  280.57 0.00    1.00 
-10 11 3  69.33  -178.80 0.98 
-9  11 3  137.02 51.80   0.98 
-8  11 3  194.05 -52.63  0.99 
-7  11 3  19.66  -70.92  0.97 
-6  11 3  120.67 46.12   0.56 
-5  11 3  109.85 -3.35   0.76 
-4  11 3  73.44  170.56  0.95 
-3  11 3  79.95  81.14   0.90 
-2  11 3  15.60  10.43   0.98 
-1  11 3  113.45 -1.86   0.99 
0   11 3  801.22 -180.00 0.88 
-12 12 3  0.00   0.00    0.00 
-11 12 3  55.59  -165.93 0.99 
-10 12 3  147.66 159.66  0.97 
-9  12 3  50.66  -102.36 0.95 
-8  12 3  72.73  -58.35  0.92 
-7  12 3  2.00   -40.38  0.32 
-6  12 3  116.99 -59.70  0.99 
-5  12 3  58.04  80.34   0.93 
-4  12 3  131.44 8.83    0.87 
-3  12 3  73.47  -10.35  0.94 
-2  12 3  189.57 6.48    0.98 
-1  12 3  65.32  -45.37  0.94 
0   12 3  57.29  180.00  1.00 
-13 13 3  264.92 0.00    1.00 
-12 13 3  134.41 -56.13  0.99 
-11 13 3  11.27  154.72  0.36 
-10 13 3  398.55 -150.35 0.99 
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0   8  14 69.16  -120.00 1.00 
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0   6  15 60.78  -180.00 0.74 
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0   7  15 119.42 0.00    1.00 
-8  8  15 282.59 -0.00   1.00 
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0   1  16 0.00   0.00    0.00 
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0   2  16 0.00   0.00    0.00 
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-2  3  16 105.76 60.71   0.98 
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0   3  16 0.00   0.00    0.00 
-4  4  16 57.77  -180.00 1.00 
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0   4  16 27.52  120.00  1.00 
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0   6  16 39.68  120.00  1.00 
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-6  7  16 94.04  -35.90  0.89 
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0   8  16 43.92  -60.00  1.00 
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0   1  17 0.00   0.00    0.00 
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-1  2  17 0.00   0.00    0.00 
0   2  17 0.00   0.00    0.00 
-3  3  17 234.02 180.00  1.00 
-2  3  17 0.00   0.00    0.00 
-1  3  17 1.04   67.50   0.69 
0   3  17 0.00   0.00    0.00 
-4  4  17 9.33   180.00  0.81 
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0   4  17 108.16 -120.00 1.00 
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0   5  17 119.23 -120.00 1.00 
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-5  6  17 64.14  -45.55  0.84 
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0   6  17 80.43  -120.00 1.00 
-7  7  17 371.87 0.00    1.00 
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0   7  17 0.75   -120.00 1.00 
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0   1  18 0.00   0.00    0.00 
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0   2  18 0.00   0.00    0.00 
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-2  3  18 0.00   0.00    0.00 
-1  3  18 85.98  -147.92 0.79 
0   3  18 0.00   0.00    0.00 
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0   4  18 0.67   -0.00   1.00 
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0   5  18 73.64  -0.00   0.85 
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-4  6  18 36.92  31.92   0.99 
-3  6  18 0.76   -44.06  0.99 
-2  6  18 112.23 -120.13 0.89 
-1  6  18 46.46  -33.83  0.96 
0   6  18 226.81 180.00  1.00 
-7  7  18 119.27 -180.00 0.88 
-6  7  18 34.59  73.81   0.88 
-5  7  18 19.53  -39.76  0.83 
-4  7  18 128.81 -14.57  0.96 
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-2  7  18 113.12 -72.15  0.93 
-1  7  18 38.33  -99.13  0.64 
0   7  18 122.64 -0.00   1.00 
-8  8  18 502.47 -180.00 1.00 
-7  8  18 0.81   139.04  0.99 
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-5  8  18 152.93 -97.11  0.96 
-4  8  18 104.26 -97.82  0.94 
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# 
