* LIGAND DATABASE FILE (OPLS2005)
*
001      70    73    125    209     370
    1     0 S   NP   _N1_     1    29.07707    96.32285   -24.09845
    2     1 S   H    _HN1     2     1.02791   111.14400  -111.03531
    3     1 S   H    _H1_     3     1.02948    76.35857    -6.33596
    4     1 S   H    _H2_     4     1.02826    31.73482   158.91060
    5     1 S   CT   _CA1     5     1.50113   130.66436    99.00353
    6     5 S   HC   _HA1     6     1.09573   105.18612    88.32096
    7     5 S   CO3  _C1_     7     1.53778   112.48497   -31.91573
    8     7 S   O2Z  _O11     8     1.26372   115.00467   -42.35457
    9     7 S   O2Z  _O12     9     1.26242   114.94549   136.75638
   10     5 S   CT   _CB1    10     1.53058   107.40867  -153.69835
   11    10 S   HC   HB11    11     1.09837   109.34501   -49.62175
   12    10 S   HC   HB12    12     1.09816   110.46316    66.97950
   13    10 S   CT   _CG1    13     1.53000   112.62390  -170.58838
   14    13 S   HC   HG11    14     1.09578   110.65644   -66.23337
   15    13 S   HC   HG12    15     1.09666   109.78049    53.03421
   16    13 S   C    _CD1    16     1.51769   112.11780   173.47875
   17    16 S   O    _OE1    17     1.22722   123.17919     7.95424
   18    16 S   N    _N2_    18     1.38601   111.74409  -171.99352
   19    18 S   H    _HN2    19     1.01543   118.95454     2.13515
   20    18 S   CT1  _CA2    20     1.46274   123.45337   177.69403
   21    20 S   HC   _HA2    21     1.09489   109.34754     8.19994
   22    20 S   C    _C2_    22     1.53476   107.31064  -106.98250
   23    22 S   O    _O2_    23     1.23006   122.72269  -134.17583
   24    20 S   CT   _CB2    32     1.53300   111.55480   131.09508
   25    24 S   HC   HB21    33     1.09671   109.53095    60.97048
   26    24 S   HC   HB22    34     1.09492   111.09523   178.10824
   27    22 S   N    _N3_    24     1.38493   113.29988    51.22970
   28    27 S   H    _HN3    25     1.01582   119.55447    -0.12972
   29    24 S   S    _SG2    35     1.83143   113.97884   -57.83053
   30    27 S   CT   _CA3    26     1.45267   123.16624   178.47710
   31    30 S   HC   HA31    27     1.09544   107.27242   -71.36924
   32    30 S   HC   HA32    28     1.09558   108.28987    45.11625
   33    29 S   CT   _C20    36     1.84762   100.61182   -73.24885
   34    33 S   HC   _H3_    37     1.08961   105.27808    45.84305
   35    30 S   CO3  _C3_    29     1.52968   114.15978   167.33309
   36    35 S   O2Z  _O31    30     1.26365   116.16800    -0.44323
   37    35 S   O2Z  _O32    31     1.26454   114.38583   179.67736
   38    33 S   CA   _C11    38     1.52641   110.26009   163.01733
   39    33 S   CM   _C21    64     1.51446   109.52627   -72.79044
   40    39 S   HC   _H13    65     1.09148   115.46607   -50.70945
   41    38 S   CA   _C10    39     1.40452   120.73233    66.56918
   42    41 S   HA   _H8_    40     1.08938   119.24436    -0.49614
   43    38 S   CA   _C12    61     1.40628   121.44206  -114.18142
   44    39 S   CMA  _C22    66     1.34973   128.22739   128.75878
   45    44 S   OM   _O36    67     1.26187   131.55078  -179.56614
   46    41 S   CA   _C9_    41     1.40200   121.73369   179.33766
   47    43 S   OH   _O33    62     1.37386   117.32560     0.18767
   48    47 S   HO   _H12    63     0.97074   108.88804  -144.75098
   49    44 S   CO3  _C23    68     1.55423   115.22509     0.89307
   50    49 S   O2Z  _O35    69     1.26750   115.34190    87.52743
   51    49 S   O2Z  _O34    70     1.26755   115.25974   -91.06813
   52    46 S   CA   _C8_    42     1.40133   120.73054  -179.63523
   53    52 S   HA   _H7_    43     1.08835   120.49081     0.22814
   54    46 S   CR3  _C14    59     1.41362   119.68590     0.49850
   55    52 S   CA   _C7_    44     1.39479   120.91543  -179.80218
   56    55 S   HA   _H6_    45     1.08799   118.74346  -179.95577
   57    58 S   CR3  _C15    60     1.41550   119.26880    -0.11191
   58    55 S   CA   _C6_    46     1.39907   120.61915     0.18131
   59    58 S   CA   _C5_    47     1.40265   121.16160   179.80517
   60    59 S   HA   _H5_    48     1.08798   120.59961     0.13270
   61    59 S   CA   _C4_    49     1.39312   120.58702  -179.80218
   62    61 S   HA   _H4_    50     1.08635   119.96345   179.96574
   63    61 S   CA   _C17    51     1.39308   120.07117     0.04846
   64    63 S   HA   _H9_    52     1.08796   118.82880   179.86012
   65    63 S   CA   _C16    53     1.40282   120.57817    -0.09279
   66    65 S   CA   _C18    54     1.39714   121.26578   179.74207
   67    66 S   HA   _H10    55     1.08809   120.62728    -0.26834
   68    66 S   CA   _C19    56     1.39677   120.67243   179.92338
   69    68 S   HA   _H11    57     1.08749   117.35027   179.15744
   70    68 S   CA   _C13    58     1.41106   121.65792    -0.32865
  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
  13   6   2   1   1  13   8   3  10   4   9   4   3  10   4   1
   2   1   1   8   4  10   7   3  11   8   6   3   5   3   5   2
   5   4   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    43    39    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    70    43    47    39    40    44    45    49  
   38    41    43    39    40    44  
   36    37  
   37  
    0  
   41    42    46    52    68    70    54    43    47    48    39    40    44  
   40    44    45    49    50    51    41    43  
   44    45    49  
   42    46    52    53    55    70    54    57    43    47  
   46    52    54    43  
   47    48    46    54    57    66    68    69    70  
   45    49    50    51  
   49    50    51  
   52    53    55    56    58    65    68    70    54    57  
   48    54    68    70  
   70  
   50    51  
   51  
    0  
   53    55    56    58    59    70    54    57  
   55    56    58    54  
   57    55    58    59    63    65    66    68    69    70  
   56    58    59    60    61    65    57  
   58    59    57  
   58    59    60    61    63    64    65    66    67    68    70  
   59    60    61    62    63    65    66    70  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66  
   63    64    65  
   64    65    66    67    68  
   65    66  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   469.000  1.400
   38    43   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    52   469.000  1.400
   46    54   490.000  1.398
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   469.000  1.400
   58    57   490.000  1.398
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    57   490.000  1.398
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    54   490.000  1.398
   70    43   469.000  1.400
   54    57   490.000  1.398
   43    47   450.000  1.364
   47    48   553.000  0.945
   39    40   340.000  1.080
   39    44   465.000  1.376
   44    45   745.000  1.250
   44    49   230.000  1.545
   49    50   656.000  1.250
   49    51   656.000  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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    43    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    43    70    63.00000  120.00000
   38    43    47    70.00000  120.00000
   41    46    52    63.00000  120.00000
   41    46    54    70.00000  112.88000
   46    41    42    35.00000  120.00000
   46    52    53    35.00000  120.00000
   46    52    55    63.00000  120.00000
   46    54    70    60.00000  130.80000
   46    54    57    60.00000  130.80000
   52    55    56    35.00000  120.00000
   52    55    58    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    58    59    63.00000  120.00000
   55    58    57    70.00000  112.88000
   58    55    56    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    61    63.00000  120.00000
   58    57    65    60.00000  130.80000
   58    57    54    60.00000  130.80000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    57    70.00000  112.88000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    57    54    60.00000  130.80000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    54    70.00000  112.88000
   68    70    43    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    54    57    60.00000  130.80000
   70    43    47    70.00000  120.00000
   54    46    52    70.00000  112.88000
   57    58    59    70.00000  112.88000
   57    65    66    70.00000  112.88000
   43    38    41    63.00000  120.00000
   43    70    54    70.00000  112.88000
   43    47    48    35.00000  113.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    44    45    65.00000  137.10300
   39    44    49    55.00000  124.75400
   44    39    40    40.00000  120.50800
   44    49    50    85.00000  113.83300
   44    49    51    85.00000  113.83300
   49    44    45    65.00000  121.00000
   51    49    50    80.00000  126.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    43  -0.16000  1.0 1.0
   29    33    38    43  -0.03200 -1.0 2.0
   29    33    38    43   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    44   0.42700  1.0 1.0
   29    33    39    44  -0.70350 -1.0 2.0
   29    33    39    44  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    43    70   3.62500 -1.0 2.0
   33    38    43    47   3.62500 -1.0 2.0
   33    39    44    45   7.00000 -1.0 2.0
   33    39    44    49   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    44   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    44   1.44450  1.0 1.0
   38    33    39    44   0.06600 -1.0 2.0
   38    33    39    44   0.29250  1.0 3.0
   38    41    46    52   3.62500 -1.0 2.0
   38    41    46    54   3.62500 -1.0 2.0
   38    43    47    48   0.84100 -1.0 2.0
   41    38    43    70   3.62500 -1.0 2.0
   41    38    43    47   3.62500 -1.0 2.0
   41    46    52    53   3.62500 -1.0 2.0
   41    46    52    55   3.62500 -1.0 2.0
   41    46   -54    70   3.62500 -1.0 2.0
   41    46    54    57   3.62500 -1.0 2.0
   42    41    46    52   3.62500 -1.0 2.0
   42    41    46    54   3.62500 -1.0 2.0
   46    52    55    56   3.62500 -1.0 2.0
   46    52    55    58   3.62500 -1.0 2.0
   46    54   -57    58   3.62500 -1.0 2.0
   46    54    57    65   3.62500 -1.0 2.0
   52    46    54    70   3.62500 -1.0 2.0
   52    46    54    57   3.62500 -1.0 2.0
   52    55    58    59   3.62500 -1.0 2.0
   52    55   -58    57   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   53    52    55    58   3.62500 -1.0 2.0
   55    58    59    60   3.62500 -1.0 2.0
   55    58    59    61   3.62500 -1.0 2.0
   55    58    57    65   3.62500 -1.0 2.0
   55    58    57    54   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    57   3.62500 -1.0 2.0
   58    59    61    62   3.62500 -1.0 2.0
   58    59    61    63   3.62500 -1.0 2.0
   59    58    57    65   3.62500 -1.0 2.0
   59    58    57    54   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61   -63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    57   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    68   3.62500 -1.0 2.0
   63    65   -57    58   3.62500 -1.0 2.0
   63    65    57    54   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    57   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    57    58   3.62500 -1.0 2.0
   66    65    57    54   3.62500 -1.0 2.0
   66    68   -70    54   3.62500 -1.0 2.0
   66    68    70    43   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    54    46   3.62500 -1.0 2.0
   68    70    54    57   3.62500 -1.0 2.0
   68    70    43    38   3.62500 -1.0 2.0
   68    70    43    47   3.62500 -1.0 2.0
   69    68    70    54   3.62500 -1.0 2.0
   69    68    70    43   3.62500 -1.0 2.0
   70    54    57    58   3.62500 -1.0 2.0
   70    54   -57    65   3.62500 -1.0 2.0
   70    43    47    48   0.84100 -1.0 2.0
   54    46    52    53   3.62500 -1.0 2.0
   54    46   -52    55   3.62500 -1.0 2.0
   54    70   -43    38   3.62500 -1.0 2.0
   54    70    43    47   3.62500 -1.0 2.0
   57    58    59    60   3.62500 -1.0 2.0
   57    58   -59    61   3.62500 -1.0 2.0
   57    65    66    67   3.62500 -1.0 2.0
   57    65   -66    68   3.62500 -1.0 2.0
   43    38    41    42   3.62500 -1.0 2.0
   43    38    41    46   3.62500 -1.0 2.0
   43    70   -54    46   3.62500 -1.0 2.0
   43    70    54    57   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    43   0.18050 -1.0 2.0
   39    44    49    50  -0.04000 -1.0 2.0
   39    44    49    50  -0.29050  1.0 3.0
   39    44    49    51  -0.04000 -1.0 2.0
   39    44    49    51  -0.29050  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    49   7.00000 -1.0 2.0
   45    44    49    50   1.68800 -1.0 2.0
   45    44    49    51   1.68800 -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
   41    43    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   52    54    46    41   4.00000 -1.0 2.0
   55    53    52    46   1.10000 -1.0 2.0
   58    56    55    52   1.10000 -1.0 2.0
   59    57    58    55   4.00000 -1.0 2.0
   61    60    59    58   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    57    65    63   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   54    43    70    68   4.00000 -1.0 2.0
   70    57    54    46   4.00000 -1.0 2.0
   65    54    57    58   4.00000 -1.0 2.0
   70    47    43    38   4.00000 -1.0 2.0
   33    40    39    44  15.00000 -1.0 2.0
   49    45    44    39  15.00000 -1.0 2.0
   50    44    49    51  10.50000 -1.0 2.0
END
