* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    219     389
    1     0 S   NP   _N1_     1    28.92398    96.92974   -21.34610
    2     1 S   H    _HN1     2     1.02775    91.47389   -74.65056
    3     1 S   H    _H1_     3     1.02950    73.55224    34.09709
    4     1 S   H    _H2_     4     1.02827    44.81799   171.09583
    5     1 S   CT   _CA1     5     1.50141   152.01338   136.65208
    6     5 S   HC   _HA1     6     1.09588   105.11507    84.34556
    7     5 S   CO3  _C1_     7     1.53677   112.43608   -35.57995
    8     7 S   O2Z  _O11     8     1.26353   115.01794   -42.46408
    9     7 S   O2Z  _O12     9     1.26236   114.88720   136.41135
   10     5 S   CT   _CB1    10     1.53070   107.38721  -157.95497
   11    10 S   HC   HB11    11     1.09822   108.93974   -51.49148
   12    10 S   HC   HB12    12     1.09810   110.59418    64.97668
   13    10 S   CT   _CG1    13     1.53003   112.76345  -172.66818
   14    13 S   HC   HG11    14     1.09533   110.47012   -70.15847
   15    13 S   HC   HG12    15     1.09686   109.88840    48.95879
   16    13 S   C    _CD1    16     1.51874   112.37065   168.88444
   17    16 S   O    _OE1    17     1.22729   123.29389     1.05462
   18    16 S   N    _N2_    18     1.38604   111.62133  -177.96337
   19    18 S   H    _HN2    19     1.01592   118.95884    -1.26161
   20    18 S   CT1  _CA2    20     1.46323   123.49517   174.40791
   21    20 S   HC   _HA2    21     1.09747   109.40341    -3.70333
   22    20 S   C    _C2_    22     1.53589   108.12753  -118.72399
   23    22 S   O    _O2_    23     1.23026   122.54331  -148.19154
   24    20 S   CT   _CB2    32     1.53251   111.54866   118.72459
   25    24 S   HC   HB21    33     1.09403   109.58015    51.97599
   26    24 S   HC   HB22    34     1.09425   110.24784   170.92264
   27    22 S   N    _N3_    24     1.38430   113.51157    39.48992
   28    27 S   H    _HN3    25     1.01604   119.48246    -3.73360
   29    24 S   S    _SG2    35     1.82905   110.96809   -69.83882
   30    27 S   CT   _CA3    26     1.45268   123.16480   176.95200
   31    30 S   HC   HA31    27     1.09552   107.56405   -63.08861
   32    30 S   HC   HA32    28     1.09557   107.91562    53.33038
   33    29 S   CT   _C14    36     1.90665   100.73015   163.61241
   34    30 S   CO3  _C3_    29     1.52938   114.10758   175.28719
   35    34 S   O2Z  _O31    30     1.26372   116.06420    -0.47560
   36    34 S   O2Z  _O32    31     1.26430   114.41185   179.56885
   37    33 S   CO4  _C23    37     1.54556   108.25863   171.54980
   38    37 S   O    _O36    38     1.22782   125.57011     5.10304
   39    33 S   CM   _C12    55     1.58296   104.88155   -74.40700
   40    37 S   CA   _C22    39     1.47943   115.70822  -175.61278
   41    39 S   CO4  _C13    56     1.51656   115.01691   -60.16788
   42    41 S   O    _O34    57     1.22577   123.38566   -22.28535
   43    40 S   CA   _C17    40     1.39127   119.23016    30.15354
   44    41 S   CA   _C8_    58     1.46609   118.85723   155.98425
   45    43 S   CA   _C18    41     1.40833   119.64498  -179.06791
   46    45 S   HA   _H6_    42     1.09180   118.69552  -179.90935
   47    43 S   CO4  _C16    50     1.49184   120.94575     3.07033
   48    47 S   O    _O35    51     1.23199   119.24471   173.51170
   49    44 S   CA   _C9_    59     1.38414   118.17470    24.38025
   50    45 S   CA   _C19    43     1.41465   123.29168    -0.12820
   51    50 S   OM   _O38    44     1.27697   122.75127   179.96574
   52    33 S   CT   _C15    52     1.57982   110.11477    56.17571
   53    52 S   OM   _O39    53     1.33066   112.35053    56.92789
   54    52 S   HC   _H3_    54     1.09665   107.13029   -75.15685
   55    49 S   CA   _C4_    60     1.40101   120.63236   177.61034
   56    55 S   HA   _H4_    61     1.08670   120.56110  -179.75611
   57    49 S   CO4  _C10    70     1.46500   119.33208    -0.85684
   58    57 S   O    _O33    71     1.22961   118.27866   158.71822
   59    50 S   CA   _C20    45     1.41153   114.61250    -0.21398
   60    59 S   HA   _H7_    46     1.09148   118.95671  -179.97202
   61    55 S   CA   _C5_    62     1.39266   119.38103     0.43835
   62    39 S   CMA  _C11    72     1.36317   126.43022   119.33404
   63    62 S   OM   _O40    73     1.26230   130.99181    -0.23573
   64    40 S   CA   _C21    47     1.39360   121.63338  -149.44467
   65    61 S   CA   _C6_    63     1.39052   120.70090    -0.26761
   66    65 S   HA   _H5_    64     1.08682   120.27102   179.95154
   67    61 S   OH   _O42    68     1.36600   121.04853   179.92598
   68    67 S   HO   _H10    69     0.97224   108.70519    -1.07847
   69    64 S   OH   _O37    48     1.36924   123.15404    -0.04846
   70    69 S   HO   _H8_    49     0.97415   108.62252    -3.49698
   71    44 S   CA   _C7_    65     1.40292   122.41784  -157.87801
   72    71 S   OH   _O41    66     1.36891   123.14571     2.56224
   73    72 S   HO   _H9_    67     0.97405   108.77967    -3.91842
  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  11   5   4   3
  17   2   1   1  14   5  14  12  11   4  12  12   9   4   6   3
  11   5   3   3   1   1  10   4   5   2   4   2   6   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    54    39    41    62  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    64    47    48    52    53    54    39    41    42    44    57    62    63  
   35    36  
   36  
    0  
   38    40    43    45    59    64    69    47    52    53    54    39    41    62  
   40    43    64    52    39  
   41    42    44    49    71    57    58    62    63    40    47    52    53    54  
   43    45    46    50    59    60    64    69    70    47    48    52  
   42    44    49    55    65    71    72    57    62    63    52  
   44    49    71    62  
   45    46    50    51    59    64    69    47    48    52    53    54  
   49    55    56    61    65    66    71    72    73    57    58    62  
   46    50    51    59    60    64    47    48    52  
   50    51    59    47  
   48    52    53    54    50    64  
   52    53    54  
   55    56    61    65    71    72    67    57    58    62    63  
   51    59    60    64    69  
   59    60    64  
   53    54    62  
   54  
    0  
   56    61    65    66    71    67    68    57    58    62  
   61    65    67    57  
   58    62    63    61    71  
   62    63  
   60    64    69    70  
   64    69  
   65    66    71    72    67    68  
   63  
    0  
   69    70  
   66    71    72    73    67    68  
   71    72    67  
   68    71  
    0  
   70  
    0  
   72    73  
   73  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   52   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    52   268.000  1.529
   33    39   317.000  1.510
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    64   469.000  1.400
   43    45   469.000  1.400
   43    47   310.000  1.470
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   450.000  1.364
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    69   450.000  1.364
   69    70   553.000  0.945
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   570.000  1.307
   52    54   340.000  1.090
   39    41   320.000  1.462
   39    62   465.000  1.376
   41    42   570.000  1.229
   41    44   310.000  1.470
   44    49   469.000  1.400
   44    71   469.000  1.400
   49    55   469.000  1.400
   49    57   310.000  1.470
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    65   469.000  1.400
   61    67   450.000  1.364
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   67    68   553.000  0.945
   57    58   570.000  1.229
   57    62   270.000  1.476
   62    63   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    52    47    63.00000  111.10000
   33    52    53    50.00000  109.50000
   33    52    54    37.50000  110.70000
   33    39    41    65.00000  116.34900
   33    39    62    70.00000  124.00000
   37    40    43    60.00000  119.52600
   37    40    64    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  119.52600
   40    64    59    63.00000  120.00000
   40    64    69    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    50    63.00000  120.00000
   43    47    48    75.00000  123.78400
   43    47    52    65.00000  115.47100
   45    50    51    70.00000  120.00000
   45    50    59    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    59    60    35.00000  120.00000
   50    59    64    63.00000  120.00000
   59    50    51    70.00000  120.00000
   59    64    69    70.00000  120.00000
   64    40    43    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    69    70    35.00000  113.00000
   47    43    45    60.00000  119.52600
   47    52    53    90.00000  108.74100
   47    52    54    35.00000  109.50000
   52    33    37    63.00000  111.10000
   52    47    48    80.00000  120.40000
   54    52    53    45.00000  125.66300
   39    33    37    70.00000  109.06800
   39    33    52    70.00000  112.02700
   39    41    42    80.00000  123.72100
   39    41    44    65.00000  117.02400
   39    62    57    65.00000  114.61000
   39    62    63    65.00000  137.10300
   41    44    49    60.00000  119.52600
   41    44    71    60.00000  119.52600
   44    41    42    75.00000  123.78400
   44    49    55    63.00000  120.00000
   44    49    57    60.00000  119.52600
   44    71    65    63.00000  120.00000
   44    71    72    70.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    61    63.00000  120.00000
   49    57    58    75.00000  123.78400
   49    57    62    60.00000  117.44000
   55    61    65    63.00000  120.00000
   55    61    67    70.00000  120.00000
   61    55    56    35.00000  120.00000
   61    65    66    35.00000  120.00000
   61    65    71    63.00000  120.00000
   61    67    68    35.00000  113.00000
   65    71    72    70.00000  120.00000
   71    44    49    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  113.00000
   67    61    65    70.00000  120.00000
   57    49    55    60.00000  119.52600
   57    62    63    85.00000  116.28000
   62    39    41    60.00000  125.92000
   62    57    58    80.00000  120.81000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    52    47   0.56750  1.0 1.0
   29    33    52    47  -0.07550 -1.0 2.0
   29    33    52    47   0.20000  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  1.0 3.0
   29    33    39    62   0.42700  1.0 1.0
   29    33    39    62  -0.70350 -1.0 2.0
   29    33    39    62  -0.43150  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    64   2.26350  1.0 1.0
   33    37    40    64   0.76750 -1.0 2.0
   33    37    40    64   0.22500  1.0 3.0
   33    39    41    42  -0.64400  1.0 1.0
   33    39    41    42   0.26850 -1.0 2.0
   33    39    41    44   1.50000 -1.0 2.0
   33    39    62    57   7.00000 -1.0 2.0
   33    39    62    63   7.00000 -1.0 2.0
   37    33    52    47   0.11950  1.0 1.0
   37    33    52    47   0.20300 -1.0 2.0
   37    33    52    47  -0.70800  1.0 3.0
   37    33    52    53  -0.09450  1.0 1.0
   37    33    52    53  -1.12950 -1.0 2.0
   37    33    52    53   0.54000  1.0 3.0
   37    33    52    54  -0.11250  1.0 3.0
   37    33    39    41   0.09700  1.0 1.0
   37    33    39    41   0.15600 -1.0 2.0
   37    33    39    41  -0.50800  1.0 3.0
   37    33    39    62  -0.51250  1.0 1.0
   37    33    39    62  -0.88800 -1.0 2.0
   37    33    39    62   0.08850  1.0 3.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    64    59   3.62500 -1.0 2.0
   37    40    64    69   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    64   1.05000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    50   3.62500 -1.0 2.0
   40    43    47    48   1.05000 -1.0 2.0
   40    43    47    52   2.26350  1.0 1.0
   40    43    47    52   0.76750 -1.0 2.0
   40    43    47    52   0.22500  1.0 3.0
   40    64    69    70   0.84100 -1.0 2.0
   43    40    64    59   3.62500 -1.0 2.0
   43    40    64    69   3.62500 -1.0 2.0
   43    45    50    51   3.62500 -1.0 2.0
   43    45   -50    59   3.62500 -1.0 2.0
   43    47   -52    33   0.05850 -1.0 2.0
   43    47   -52    33   0.17250  1.0 3.0
   43    47    52    53   0.65300  1.0 1.0
   43    47    52    53  -0.03850 -1.0 2.0
   43    47    52    53   0.33900  1.0 3.0
   43    47    52    54   0.00000  1.0 1.0
   45    43    47    48   1.05000 -1.0 2.0
   45    43    47    52   2.26350  1.0 1.0
   45    43    47    52   0.76750 -1.0 2.0
   45    43    47    52   0.22500  1.0 3.0
   45    50    59    60   3.62500 -1.0 2.0
   45    50    59    64   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    59   3.62500 -1.0 2.0
   50    59   -64    40   3.62500 -1.0 2.0
   50    59    64    69   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    64   3.62500 -1.0 2.0
   59    64    69    70   0.84100 -1.0 2.0
   60    59    64    40   3.62500 -1.0 2.0
   60    59    64    69   3.62500 -1.0 2.0
   64    40   -43    45   3.62500 -1.0 2.0
   64    40    43    47   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    50   3.62500 -1.0 2.0
   48    47    52    33   0.30150 -1.0 2.0
   48    47    52    53   0.30150 -1.0 2.0
   48    47    52    54   0.00000  1.0 1.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    40   0.05850 -1.0 2.0
   52    33   -37    40   0.17250  1.0 3.0
   52    33    39    41   0.09700  1.0 1.0
   52    33    39    41   0.15600 -1.0 2.0
   52    33    39    41  -0.50800  1.0 3.0
   52    33    39    62   0.09850  1.0 1.0
   52    33    39    62   0.15250 -1.0 2.0
   52    33    39    62  -0.50650  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    52    47  -0.98800  1.0 1.0
   39    33    52    47   0.48800 -1.0 2.0
   39    33    52    47   0.76800  1.0 3.0
   39    33    52    53   0.61850  1.0 1.0
   39    33    52    53  -0.22750 -1.0 2.0
   39    33    52    53   0.15300  1.0 3.0
   39    33    52    54   0.15000  1.0 3.0
   39    41    44    49  -0.11500  1.0 1.0
   39    41    44    49   1.10450 -1.0 2.0
   39    41    44    49  -0.48050  1.0 3.0
   39    41    44    71  -0.11500  1.0 1.0
   39    41    44    71   1.10450 -1.0 2.0
   39    41    44    71  -0.48050  1.0 3.0
   41    39    62    57   7.00000 -1.0 2.0
   41    39    62    63   7.00000 -1.0 2.0
   41    44    49    55   3.62500 -1.0 2.0
   41    44   -49    57   3.62500 -1.0 2.0
   41    44    71    65   3.62500 -1.0 2.0
   41    44    71    72   3.62500 -1.0 2.0
   42    41    44    49   1.05000 -1.0 2.0
   42    41    44    71   1.05000 -1.0 2.0
   44    49    55    56   3.62500 -1.0 2.0
   44    49    55    61   3.62500 -1.0 2.0
   44    49    57    58   1.05000 -1.0 2.0
   44    49    57    62  -0.11500  1.0 1.0
   44    49    57    62   1.10450 -1.0 2.0
   44    49    57    62  -0.48050  1.0 3.0
   44    71    72    73   0.84100 -1.0 2.0
   49    44    71    65   3.62500 -1.0 2.0
   49    44    71    72   3.62500 -1.0 2.0
   49    55   -61    65   3.62500 -1.0 2.0
   49    55    61    67   3.62500 -1.0 2.0
   49    57   -62    39  -1.65800  1.0 1.0
   49    57   -62    39   0.77650 -1.0 2.0
   49    57    62    63   1.50000 -1.0 2.0
   55    49    57    58   1.05000 -1.0 2.0
   55    49    57    62  -0.11500  1.0 1.0
   55    49    57    62   1.10450 -1.0 2.0
   55    49    57    62  -0.48050  1.0 3.0
   55    61    65    66   3.62500 -1.0 2.0
   55    61    65    71   3.62500 -1.0 2.0
   55    61    67    68   0.84100 -1.0 2.0
   56    55    61    65   3.62500 -1.0 2.0
   56    55    61    67   3.62500 -1.0 2.0
   61    65   -71    44   3.62500 -1.0 2.0
   61    65    71    72   3.62500 -1.0 2.0
   65    61    67    68   0.84100 -1.0 2.0
   65    71    72    73   0.84100 -1.0 2.0
   66    65    71    44   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    44   -49    55   3.62500 -1.0 2.0
   71    44    49    57   3.62500 -1.0 2.0
   67    61    65    66   3.62500 -1.0 2.0
   67    61    65    71   3.62500 -1.0 2.0
   57    49    55    56   3.62500 -1.0 2.0
   57    49    55    61   3.62500 -1.0 2.0
   58    57    62    39   1.00000 -1.0 2.0
   58    57    62    63  -0.11900  1.0 1.0
   58    57    62    63   0.76850 -1.0 2.0
   58    57    62    63   0.14100  1.0 3.0
   62    39    41    42   1.00000 -1.0 2.0
   62    39   -41    44  -1.65800  1.0 1.0
   62    39   -41    44   0.77650 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   43    64    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   50    46    45    43   1.10000 -1.0 2.0
   59    51    50    45   4.00000 -1.0 2.0
   64    60    59    50   1.10000 -1.0 2.0
   59    69    64    40   4.00000 -1.0 2.0
   43    52    47    48  10.50000 -1.0 2.0
   33    41    39    62   1.10000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   49    71    44    41   4.00000 -1.0 2.0
   55    57    49    44   4.00000 -1.0 2.0
   61    56    55    49   1.10000 -1.0 2.0
   65    67    61    55   4.00000 -1.0 2.0
   71    66    65    61   1.10000 -1.0 2.0
   65    72    71    44   4.00000 -1.0 2.0
   49    62    57    58  10.50000 -1.0 2.0
   57    63    62    39   1.10000 -1.0 2.0
END
