* LIGAND DATABASE FILE (OPLS2005)
*
001      56    57     97    155     288
    1     0 S   NP   _N1_     1    28.80617    95.62571   -23.83059
    2     1 S   H    _HN1     2     1.02948    76.34773     8.30806
    3     1 S   H    _H1_     3     1.02828    32.49081   169.04327
    4     1 S   H    _H2_     4     1.02790   108.67723   -96.77675
    5     1 S   CT   _CA1     5     1.50112   133.12727   113.62811
    6     5 S   HC   _HA1     6     1.09572   105.18989    87.46724
    7     5 S   CO3  _C1_     7     1.53784   112.48388   -32.77731
    8     7 S   O2Z  _O11     8     1.26373   115.00686   -42.22289
    9     7 S   O2Z  _O12     9     1.26239   114.94469   136.91086
   10     5 S   CT   _CB1    10     1.53074   107.42056  -154.53564
   11    10 S   HC   HB11    11     1.09835   109.37301   -49.53694
   12    10 S   HC   HB12    12     1.09812   110.44871    67.07264
   13    10 S   CT   _CG1    13     1.52996   112.61070  -170.49941
   14    13 S   HC   HG11    14     1.09579   110.66502   -65.99527
   15    13 S   HC   HG12    15     1.09671   109.75953    53.24491
   16    13 S   C    _CD1    16     1.51798   112.17050   173.72124
   17    16 S   O    _OE1    17     1.22735   123.26373     8.40667
   18    16 S   N    _N2_    18     1.38650   111.70365  -171.64722
   19    18 S   H    _HN2    19     1.01576   118.94290     1.78158
   20    18 S   CT1  _CA2    20     1.46224   123.41438   177.49048
   21    20 S   HC   _HA2    21     1.09736   109.32984     5.47933
   22    20 S   C    _C2_    22     1.53608   108.76849  -110.06012
   23    22 S   O    _O2_    23     1.23070   122.24966  -148.42595
   24    20 S   CT   _CB2    32     1.53352   111.52180   127.47166
   25    24 S   HC   HB21    33     1.09480   109.80353    56.42965
   26    24 S   HC   HB22    34     1.09511   110.17426   175.47996
   27    22 S   N    _N3_    24     1.38317   113.80582    39.04520
   28    27 S   H    _HN3    25     1.01563   119.61520    -3.19408
   29    24 S   S    _SG2    35     1.82704   111.45268   -64.66996
   30    27 S   CT   _CA3    26     1.45289   123.24650   177.18019
   31    30 S   HC   HA31    27     1.09548   107.50060   -64.94189
   32    30 S   HC   HA32    28     1.09556   108.00407    51.51079
   33    29 S   CT   _C13    36     1.82683    99.73168  -175.96701
   34    33 S   HC   _H3_    37     1.09679   110.04125    42.89063
   35    30 S   CO3  _C3_    29     1.52969   114.05512   173.51735
   36    35 S   O2Z  _O31    30     1.26380   116.06761    -0.59807
   37    35 S   O2Z  _O32    31     1.26425   114.41914   179.46332
   38    33 S   CO4  _C11    38     1.50828   109.36734   -75.18644
   39    38 S   O    _O34    39     1.22876   122.01136    87.37921
   40    38 S   CA   _C7_    40     1.47891   117.64882   -89.65437
   41    40 S   CA   _C6_    41     1.40807   118.44281   -21.31633
   42    41 S   CA   _C4_    42     1.41338   117.24512   178.01111
   43    42 S   HA   _H17    43     1.08814   120.32428  -179.58931
   44    41 S   CMA  _C10    52     1.51402   122.61072    -3.88060
   45    44 S   OM   _O33    53     1.26858   120.61066  -164.43829
   46    42 S   CA   _C8_    44     1.39625   121.25605     0.46182
   47    33 S   CM   _C12    54     1.49765   109.77391   162.02324
   48    46 S   CA   _C5_    45     1.38626   120.82303     0.18131
   49    48 S   HA   _H18    46     1.08628   120.39867   179.87180
   50    46 S   OH   _O13    50     1.36673   120.99353   179.97202
   51    50 S   HO   _H20    51     0.97251   108.51238     0.28046
   52    47 S   OH   _O15    55     1.39369   112.67750   -81.77744
   53    52 S   HO   _H22    56     0.97553   105.82947  -179.45896
   54    40 S   CA   _C9_    47     1.40726   120.64287   157.65427
   55    54 S   OH   _O14    48     1.36960   123.38883     1.14637
   56    55 S   HO   _H21    49     0.97364   108.83257     4.57072
  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
  11   6   2   1   1  10   4  12  11  10   4   6   2   6   2   6
   3   2   1   1   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    54    44    45    47    52    53  
   38    39    40    44    47    52  
   36    37  
   37  
    0  
   39    40    41    42    48    54    55    44    47    52  
   40    41    54    47  
   41    42    43    46    48    49    54    55    56    44    45    47  
   42    43    46    48    54    55    50    44    45    47    52  
   43    46    48    49    54    50    51    44    45    47  
   46    48    50    44  
   45    47    52    53    46    54  
   47    52  
   48    49    54    55    50    51  
   52    53  
   49    54    55    56    50    51  
   54    55    50  
   51    54  
    0  
   53  
    0  
   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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   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  1.522
   33    47   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    54   469.000  1.400
   41    42   469.000  1.400
   41    44   320.000  1.460
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    48   469.000  1.400
   46    50   450.000  1.364
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    55   450.000  1.364
   55    56   553.000  0.945
   50    51   553.000  0.945
   44    45   745.000  1.250
   44    47   465.000  1.376
   47    52   510.000  1.338
   52    53   553.000  0.945
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  110.18000
   29    33    47    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    44    70.00000  124.00000
   33    47    52    90.00000  109.34000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    54    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    44    60.00000  120.93500
   40    54    48    63.00000  120.00000
   40    54    55    70.00000  120.00000
   41    42    43    35.00000  120.00000
   41    42    46    63.00000  120.00000
   41    44    45    85.00000  114.86500
   41    44    47    60.00000  123.20500
   42    46    48    63.00000  120.00000
   42    46    50    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    54    63.00000  120.00000
   46    50    51    35.00000  113.00000
   48    54    55    70.00000  120.00000
   54    40    41    63.00000  120.00000
   54    48    49    35.00000  120.00000
   54    55    56    35.00000  113.00000
   50    46    48    70.00000  120.00000
   44    41    42    60.00000  120.93500
   44    47    52    80.00000  121.38400
   47    33    34    35.00000  109.50000
   47    33    38    70.00000  109.06800
   47    44    45    65.00000  137.10300
   47    52    53    70.00000  107.45700
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   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    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    44   0.42700  1.0 1.0
   29    33    47    44  -0.70350 -1.0 2.0
   29    33    47    44  -0.43150  1.0 3.0
   29    33    47    52   0.09700  1.0 1.0
   29    33    47    52   0.15600 -1.0 2.0
   29    33    47    52  -0.50800  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    54   2.26350  1.0 1.0
   33    38    40    54   0.76750 -1.0 2.0
   33    38    40    54   0.22500  1.0 3.0
   33    47    52    53   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44   0.00000  1.0 1.0
   34    33    47    52   0.00000  1.0 1.0
   38    33    47    44  -0.51250  1.0 1.0
   38    33    47    44  -0.88800 -1.0 2.0
   38    33    47    44   0.08850  1.0 3.0
   38    33    47    52   0.09700  1.0 1.0
   38    33    47    52   0.15600 -1.0 2.0
   38    33    47    52  -0.50800  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    44   3.62500 -1.0 2.0
   38    40    54    48   3.62500 -1.0 2.0
   38    40    54    55   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    54   1.05000 -1.0 2.0
   40    41    42    43   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    44    45  -0.01750  1.0 1.0
   40    41    44    45  -0.32000 -1.0 2.0
   40    41    44    45   0.00600  1.0 3.0
   40    41    44    47   0.15800  1.0 1.0
   40    41    44    47   1.85350 -1.0 2.0
   40    41    44    47  -0.48700  1.0 3.0
   40    54    55    56   0.84100 -1.0 2.0
   41    40    54    48   3.62500 -1.0 2.0
   41    40    54    55   3.62500 -1.0 2.0
   41    42   -46    48   3.62500 -1.0 2.0
   41    42    46    50   3.62500 -1.0 2.0
   41    44   -47    33   7.00000 -1.0 2.0
   41    44    47    52   7.00000 -1.0 2.0
   42    41    44    45  -0.01750  1.0 1.0
   42    41    44    45  -0.32000 -1.0 2.0
   42    41    44    45   0.00600  1.0 3.0
   42    41    44    47   0.15800  1.0 1.0
   42    41    44    47   1.85350 -1.0 2.0
   42    41    44    47  -0.48700  1.0 3.0
   42    46    48    49   3.62500 -1.0 2.0
   42    46    48    54   3.62500 -1.0 2.0
   42    46    50    51   0.84100 -1.0 2.0
   43    42    46    48   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    48   -54    40   3.62500 -1.0 2.0
   46    48    54    55   3.62500 -1.0 2.0
   48    46    50    51   0.84100 -1.0 2.0
   48    54    55    56   0.84100 -1.0 2.0
   49    48    54    40   3.62500 -1.0 2.0
   49    48    54    55   3.62500 -1.0 2.0
   54    40   -41    42   3.62500 -1.0 2.0
   54    40    41    44   3.62500 -1.0 2.0
   50    46    48    49   3.62500 -1.0 2.0
   50    46    48    54   3.62500 -1.0 2.0
   44    41    42    43   3.62500 -1.0 2.0
   44    41    42    46   3.62500 -1.0 2.0
   44    47    52    53  -0.66100  1.0 1.0
   44    47    52    53   1.20850 -1.0 2.0
   44    47    52    53  -0.36000  1.0 3.0
   45    44    47    33   7.00000 -1.0 2.0
   45    44    47    52   7.00000 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.65300  1.0 1.0
   47    33   -38    40  -0.03850 -1.0 2.0
   47    33   -38    40   0.33900  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    54    40    38   4.00000 -1.0 2.0
   42    44    41    40   4.00000 -1.0 2.0
   46    43    42    41   1.10000 -1.0 2.0
   48    50    46    42   4.00000 -1.0 2.0
   54    49    48    46   1.10000 -1.0 2.0
   48    55    54    40   4.00000 -1.0 2.0
   41    45    44    47   1.10000 -1.0 2.0
   33    52    47    44   1.10000 -1.0 2.0
END
