* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     96    148     284
    1     0 S   NP   _N1_     1    28.76468    96.33435   -23.02572
    2     1 S   H    _HN1     2     1.02950    73.09298    13.05069
    3     1 S   H    _H1_     3     1.02827    38.56038   163.94417
    4     1 S   H    _H2_     4     1.02784   102.28170   -92.66809
    5     1 S   CT   _CA1     5     1.50114   141.19829   114.76870
    6     5 S   HC   _HA1     6     1.09573   105.19387    89.51648
    7     5 S   CO3  _C1_     7     1.53795   112.46817   -30.70814
    8     7 S   O2Z  _O11     8     1.26373   115.00620   -42.26592
    9     7 S   O2Z  _O12     9     1.26243   114.95163   136.86845
   10     5 S   CT   _CB1    10     1.53081   107.41443  -152.50355
   11    10 S   HC   HB11    11     1.09832   109.37697   -49.70908
   12    10 S   HC   HB12    12     1.09813   110.44438    66.90670
   13    10 S   CT   _CG1    13     1.52978   112.59640  -170.69253
   14    13 S   HC   HG11    14     1.09586   110.60638   -65.49465
   15    13 S   HC   HG12    15     1.09671   109.80173    53.72671
   16    13 S   C    _CD1    16     1.51801   112.27193   174.17698
   17    16 S   O    _OE1    17     1.22728   123.29733     5.94317
   18    16 S   N    _N2_    18     1.38623   111.61251  -174.05855
   19    18 S   H    _HN2    19     1.01575   118.97405     1.64936
   20    18 S   CT1  _CA2    20     1.46273   123.53160   178.18081
   21    20 S   HC   _HA2    21     1.09738   109.31015     3.85463
   22    20 S   C    _C2_    22     1.53592   108.73717  -111.59854
   23    22 S   O    _O2_    23     1.23050   122.34206  -149.18843
   24    20 S   CT   _CB2    32     1.53338   111.33990   125.76039
   25    24 S   HC   HB21    33     1.09592   109.91388    55.72381
   26    24 S   HC   HB22    34     1.09482   110.35288   174.89593
   27    22 S   N    _N3_    24     1.38371   113.75485    38.41265
   28    27 S   H    _HN3    25     1.01568   119.56125    -3.46255
   29    24 S   S    _SG2    35     1.82940   111.18603   -65.15432
   30    27 S   CT   _CA3    26     1.45281   123.21470   177.05084
   31    30 S   HC   HA31    27     1.09550   107.51716   -64.37169
   32    30 S   HC   HA32    28     1.09557   107.97669    52.06534
   33    29 S   CT   _C10    36     1.83967    99.49838   168.15048
   34    33 S   HC   _H4_    37     1.09544   105.76156   -50.40356
   35    30 S   CO3  _C3_    29     1.52961   114.08635   174.05667
   36    35 S   O2Z  _O31    30     1.26375   116.07253    -0.67086
   37    35 S   O2Z  _O32    31     1.26428   114.41240   179.39123
   38    33 S   CM   _C8_    38     1.52375   108.99798  -167.53832
   39    33 S   CM   _C11    52     1.50490   110.33369    68.04702
   40    39 S   HC   _H8_    53     1.09048   118.07726    37.43742
   41    38 S   CM   _C7_    39     1.34607   122.61857   -74.91626
   42    41 S   HC   _H6_    40     1.08468   122.00870     1.92346
   43    39 S   CMA  _C12    54     1.51605   122.37168  -145.92582
   44    43 S   OM   _O35    55     1.26199   119.38592   176.56419
   45    43 S   OM   _O36    56     1.26204   122.17991    -3.78413
   46    41 S   CO4  _C6_    41     1.47954   121.70466  -178.05157
   47    46 S   O    _O33    42     1.22723   121.10309  -178.72774
   48    46 S   CM   _C5_    43     1.48298   117.91834     1.46340
   49    48 S   CM   _C4_    44     1.33688   119.96530    -1.08516
   50    49 S   HC   _H5_    45     1.08716   118.80071   179.81233
   51    48 S   OH   _O37    50     1.37825   118.58180   179.04468
   52    51 S   HO   _H9_    51     0.97441   106.68350    -0.19383
   53    38 S   CT   _C9_    46     1.51246   115.48354   107.77965
   54    53 S   HC   _H3_    47     1.09661   108.87230    55.84281
   55    53 S   OH   _O34    48     1.42587   108.84456   -61.75154
   56    55 S   HO   _H7_    49     0.97217   107.53854   169.08588
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  14   6   3   9   4   2   1   1   7   3   7
   7   4   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    53    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    49    53    54    55    39    40    43    44    45  
   38    41    53    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    49    50    53    54    55    56    39    40    43  
   40    43    44    45    41    53  
   43    44    45  
   42    46    47    48    49    53    54    55    51  
   46    47    48    53  
   44    45  
   45  
    0  
   47    48    49    50    53    51    52  
   48    49    51  
   49    50    53    54    55    51    52  
   50    53    54    55    56    51    52  
   53    54    55    51  
   52    53  
    0  
   54    55    56  
   55    56  
   56  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   549.000  1.340
   38    53   317.000  1.510
   41    42   340.000  1.080
   41    46   320.000  1.462
   46    47   570.000  1.229
   46    48   320.000  1.462
   48    49   549.000  1.340
   48    51   510.000  1.338
   49    50   340.000  1.080
   49    53   317.000  1.510
   53    54   340.000  1.090
   53    55   320.000  1.410
   55    56   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  124.00000
   33    38    53    65.00000  117.92700
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    65.00000  118.96000
   38    53    49    70.00000  110.12100
   38    53    54    35.00000  109.50000
   38    53    55    90.00000  110.39200
   41    46    47    80.00000  123.72100
   41    46    48    65.00000  118.65900
   46    41    42    40.00000  117.72500
   46    48    49    65.00000  118.96000
   46    48    51    85.00000  116.28000
   48    46    47    80.00000  123.72100
   48    49    50    35.00000  120.00000
   48    49    53    70.00000  124.00000
   48    51    52    70.00000  107.45700
   49    53    54    35.00000  109.50000
   49    53    55    90.00000  110.39200
   53    38    41    70.00000  124.00000
   53    49    50    35.00000  117.00000
   53    55    56    55.00000  108.50000
   55    53    54    35.00000  109.50000
   51    48    49    80.00000  121.38400
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    53   0.30250  1.0 1.0
   29    33    38    53  -0.14950 -1.0 2.0
   29    33    38    53   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    53    49   0.09700  1.0 1.0
   33    38    53    49   0.15600 -1.0 2.0
   33    38    53    49  -0.50800  1.0 3.0
   33    38    53    54   0.34800  1.0 3.0
   33    38    53    55   0.18000  1.0 1.0
   33    38    53    55   0.16450 -1.0 2.0
   33    38    53    55   0.04450  1.0 3.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    53   0.34800  1.0 3.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43  -0.28300  1.0 1.0
   38    33    39    43   0.26700 -1.0 2.0
   38    33    39    43  -0.63300  1.0 3.0
   38    41    46    47   1.00000 -1.0 2.0
   38    41    46    48  -1.18350  1.0 1.0
   38    41    46    48   1.45950 -1.0 2.0
   38    53    55    56  -0.07800  1.0 1.0
   38    53    55    56  -0.21500 -1.0 2.0
   38    53    55    56  -0.03150  1.0 3.0
   41    38    53    49  -0.28300  1.0 1.0
   41    38    53    49   0.26700 -1.0 2.0
   41    38    53    49  -0.63300  1.0 3.0
   41    38    53    54   0.00000  1.0 1.0
   41    38    53    55   0.67800  1.0 1.0
   41    38    53    55   0.47050 -1.0 2.0
   41    38    53    55  -0.62500  1.0 3.0
   41    46   -48    49  -1.18350  1.0 1.0
   41    46   -48    49   1.45950 -1.0 2.0
   41    46    48    51   1.50000 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.93700 -1.0 2.0
   46    48    49    50   7.00000 -1.0 2.0
   46    48    49    53   7.00000 -1.0 2.0
   46    48    51    52   2.00000 -1.0 2.0
   47    46    48    49   1.00000 -1.0 2.0
   47    46    48    51  -0.11900  1.0 1.0
   47    46    48    51   0.76850 -1.0 2.0
   47    46    48    51   0.14100  1.0 3.0
   48    49   -53    38  -0.28300  1.0 1.0
   48    49   -53    38   0.26700 -1.0 2.0
   48    49   -53    38  -0.63300  1.0 3.0
   48    49    53    54   0.00000  1.0 1.0
   48    49    53    55   0.67800  1.0 1.0
   48    49    53    55   0.47050 -1.0 2.0
   48    49    53    55  -0.62500  1.0 3.0
   49    48    51    52  -0.66100  1.0 1.0
   49    48    51    52   1.20850 -1.0 2.0
   49    48    51    52  -0.36000  1.0 3.0
   49    53    55    56  -0.07800  1.0 1.0
   49    53    55    56  -0.21500 -1.0 2.0
   49    53    55    56  -0.03150  1.0 3.0
   50    49    53    38   0.00000  1.0 1.0
   50    49    53    54   0.33100  1.0 3.0
   50    49    53    55   0.00000  1.0 1.0
   53    38    41    42   7.00000 -1.0 2.0
   53    38   -41    46   7.00000 -1.0 2.0
   54    53    55    56   0.19450  1.0 3.0
   51    48    49    50   7.00000 -1.0 2.0
   51    48    49    53   7.00000 -1.0 2.0
   39    33    38    41  -0.28300  1.0 1.0
   39    33    38    41   0.26700 -1.0 2.0
   39    33    38    41  -0.63300  1.0 3.0
   39    33    38    53   0.09700  1.0 1.0
   39    33    38    53   0.15600 -1.0 2.0
   39    33    38    53  -0.50800  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    53    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   41    48    46    47  10.50000 -1.0 2.0
   46    51    48    49   1.10000 -1.0 2.0
   53    50    49    48   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
