* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    227     413
    1     0 S   NP   _N1_     1    30.48308    92.18582   -16.33820
    2     1 S   H    _HN1     2     1.02835    25.60351    91.63135
    3     1 S   H    _H1_     3     1.02782    99.32713   -20.41281
    4     1 S   H    _H2_     4     1.02927   132.03188   104.63085
    5     1 S   CT   _CA1     5     1.50111    93.26038  -133.70590
    6     5 S   HC   _HA1     6     1.09550   105.25053    40.06051
    7     5 S   CO3  _C1_     7     1.53771   112.52280   -80.48589
    8     7 S   O2Z  _O11     8     1.26362   115.00939   -40.67223
    9     7 S   O2Z  _O12     9     1.26214   114.98504   138.65594
   10     5 S   CT   _CB1    10     1.53005   107.52933   158.36157
   11    10 S   HC   HB11    11     1.09847   109.66163   -46.89002
   12    10 S   HC   HB12    12     1.09783   110.27378    69.38201
   13    10 S   CT   _CG1    13     1.53165   112.77373  -167.86085
   14    13 S   HC   HG11    14     1.09529   111.29827   -62.34403
   15    13 S   HC   HG12    15     1.09583   110.81214    57.05807
   16    13 S   C    _CD1    16     1.51400   109.55696   176.38480
   17    16 S   O    _OE1    17     1.22812   121.70336   -89.78553
   18    16 S   N    _N2_    18     1.38371   112.73605    87.34707
   19    18 S   H    _HN2    19     1.01477   119.05362     6.79419
   20    18 S   CT1  _CA2    20     1.46236   123.44967  -171.86689
   21    20 S   HC   _HA2    21     1.09714   109.28440   -12.46393
   22    20 S   C    _C2_    22     1.53314   108.73115  -128.68828
   23    22 S   O    _O2_    23     1.23023   122.13506  -147.36602
   24    20 S   CT   _CB2    32     1.53718   111.25044   109.24913
   25    24 S   HC   HB21    33     1.09441   109.35304    60.64914
   26    24 S   HC   HB22    34     1.09512   110.38597   179.37442
   27    22 S   N    _N3_    24     1.38463   113.47822    39.93768
   28    27 S   H    _HN3    25     1.01527   118.95508    -0.27976
   29    24 S   S    _SG2    35     1.82768   111.52130   -60.34055
   30    27 S   CT   _CA3    26     1.45434   123.31130   175.43559
   31    30 S   HC   HA31    27     1.09535   109.05664    27.44115
   32    30 S   HC   HA32    28     1.09491   107.15089   144.40588
   33    29 S   CT   _C23    36     1.82717   100.62850   175.62377
   34    33 S   HC   _H3_    37     1.09574   108.26568    57.11513
   35    30 S   CO3  _C3_    29     1.52932   113.30008   -95.92194
   36    35 S   O2Z  _O31    30     1.26389   115.49909   -42.41607
   37    35 S   O2Z  _O32    31     1.26371   114.92770   138.56186
   38    33 S   CO4  _C20    38     1.50959   110.85017   -62.44882
   39    38 S   O    _O25    39     1.22720   119.90912   105.30348
   40    33 S   CT   _C22    70     1.51606   111.14869   176.31395
   41    40 S   HC   _H34    71     1.09661   110.58556   -54.29896
   42    40 S   HC   _H35    72     1.09718   110.52208  -173.14660
   43    38 S   CA   _C9_    40     1.50161   117.88019   -74.38288
   44    43 S   CA   _C6_    41     1.42621   121.31353   159.88866
   45    44 S   CA   _C7_    42     1.48398   122.32997     2.56781
   46    44 S   CA   _C13    63     1.41974   118.76535  -177.58224
   47    45 S   CA   _C12    43     1.41343   121.50185   -91.20900
   48    46 S   CA   _C5_    64     1.39951   119.87928     0.59479
   49    48 S   HA   _H31    65     1.08836   119.97964   179.38293
   50    46 S   CT   _C25    75     1.50857   122.00720  -179.58693
   51    50 S   HC   _H40    76     1.09392   110.67755   -61.68109
   52    50 S   HC   _H41    77     1.09446   110.51580    60.06816
   53    50 S   HC   _H42    78     1.09550   111.52396   179.11023
   54    47 S   CA   _C4_    44     1.40420   119.51981  -179.23998
   55    54 S   HA   _H30    45     1.08884   118.97176   178.97531
   56    47 S   CT   _C24    59     1.50525   122.42096    -2.43783
   57    56 S   HC   _H37    60     1.09375   109.97720   -85.45794
   58    56 S   HC   _H38    61     1.09260   111.73416    35.91274
   59    56 S   HC   _H39    62     1.09548   110.86385   154.67338
   60    48 S   CA   _C14    66     1.39125   120.80690    -1.03230
   61    54 S   CA   _C8_    46     1.39973   121.06256    -0.95654
   62    43 S   CA   _C11    67     1.41082   118.23608   -18.59378
   63    60 S   OH   _O27    73     1.36969   115.38199   179.86730
   64    63 S   HO   _H43    74     0.97397   109.05114   176.84651
   65    61 S   CA   _C10    47     1.39594   120.27672     0.73061
   66    62 S   CO4  _C21    68     1.49179   120.64323    -4.63925
   67    66 S   O    _O26    69     1.22814   120.84070   178.74072
   68    45 S   CA   _C15    48     1.41608   119.89657    89.11350
   69    65 S   CO4  _C19    51     1.48214   119.37873   179.85873
   70    69 S   O    _O24    52     1.22538   121.85051  -179.85598
   71    68 S   OH   _O28    49     1.37570   116.65733    -0.13706
   72    71 S   HO   _H44    50     0.97333   109.34202  -179.09323
   73    69 S   CM   _C17    53     1.47594   118.24262     0.13270
   74    73 S   HC   _H33    54     1.08457   117.21357   179.82754
   75    73 S   CM   _C16    55     1.33260   121.93121    -0.21489
   76    75 S   HC   _H32    56     1.08436   121.02686  -179.95577
   77    61 S   CO4  _C18    57     1.47794   118.65124  -179.54200
   78    77 S   O    _O23    58     1.22489   121.91469    -0.04846
  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   9   5   4   3
  11   7   2   1   1  11   4   7   4   3  12  17  17  11  11  10
   4   4   2   1   1  12   4   5   2   1   1   5  10   4   2   1
  10   1   1   6   7   3   1   1   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    66    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    62    66    67    40    41    42  
   38    39    43    66    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    60    62    66    40    41    42  
   43    44    62    40  
   41    42    43    60    62    66    67  
   42    62    66    67  
   62    66    67  
   44    45    47    68    46    48    60    62    66    67    63    50  
   45    47    54    65    68    71    56    46    48    49    60    62    66    50    51    52    53  
   47    54    55    61    65    68    71    72    69    56    57    58    59    46    48    62    50  
   48    49    60    62    63    50    51    52    53    47    68  
   54    55    61    65    68    71    77    56    57    58    59  
   49    60    62    66    63    64    50    51    52    53  
   60    62    63    50  
   51    52    53    60  
   52    53  
   53  
    0  
   55    61    65    68    69    75    77    78    56    57    58    59  
   61    65    77    56  
   57    58    59    61    68  
   58    59  
   59  
    0  
   62    66    67    63    64  
   65    68    71    69    70    73    75    76    77    78  
   66    67    63    64  
   64    66  
    0  
   68    71    72    69    70    73    74    75    77    78  
   67  
    0  
   71    72    69    70    73    77  
   70    73    74    75    76    77    71  
   73    74    75  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   77    78  
   78  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   570.000  1.229
   38    43   310.000  1.470
   43    44   469.000  1.400
   43    62   469.000  1.400
   44    45   375.000  1.464
   44    46   469.000  1.400
   45    47   469.000  1.400
   45    68   469.000  1.400
   47    54   469.000  1.400
   47    56   317.000  1.510
   54    55   367.000  1.080
   54    61   469.000  1.400
   61    65   469.000  1.400
   61    77   310.000  1.470
   65    68   469.000  1.400
   65    69   310.000  1.470
   68    71   450.000  1.364
   71    72   553.000  0.945
   69    70   570.000  1.229
   69    73   320.000  1.462
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   320.000  1.462
   77    78   570.000  1.229
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   46    48   469.000  1.400
   46    50   317.000  1.510
   48    49   367.000  1.080
   48    60   469.000  1.400
   60    62   469.000  1.400
   60    63   450.000  1.364
   62    66   310.000  1.470
   66    67   570.000  1.229
   66    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   63    64   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
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    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  115.47100
   33    40    66    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    60.00000  119.52600
   38    43    62    60.00000  119.52600
   43    38    39    75.00000  123.78400
   43    44    45    60.00000  122.76000
   43    44    46    63.00000  120.00000
   43    62    60    63.00000  120.00000
   43    62    66    60.00000  119.52600
   44    45    47    60.00000  122.76000
   44    45    68    60.00000  122.76000
   44    46    48    63.00000  120.00000
   44    46    50    70.00000  120.00000
   45    47    54    63.00000  120.00000
   45    47    56    70.00000  120.00000
   45    68    65    63.00000  120.00000
   45    68    71    70.00000  120.00000
   47    54    55    35.00000  120.00000
   47    54    61    63.00000  120.00000
   47    56    57    35.00000  109.50000
   47    56    58    35.00000  109.50000
   47    56    59    35.00000  109.50000
   54    61    65    63.00000  120.00000
   54    61    77    60.00000  119.52600
   61    54    55    35.00000  120.00000
   61    65    68    63.00000  120.00000
   61    65    69    60.00000  119.52600
   61    77    75    65.00000  117.02400
   61    77    78    75.00000  123.78400
   65    68    71    70.00000  120.00000
   65    69    70    75.00000  123.78400
   65    69    73    65.00000  117.02400
   68    45    47    63.00000  120.00000
   68    71    72    35.00000  113.00000
   69    65    68    60.00000  119.52600
   69    73    74    40.00000  117.72500
   69    73    75    65.00000  118.96000
   73    69    70    80.00000  123.72100
   73    75    76    35.00000  120.00000
   73    75    77    65.00000  118.96000
   75    73    74    35.00000  120.00000
   75    77    78    80.00000  123.72100
   77    61    65    60.00000  119.52600
   77    75    76    40.00000  117.72500
   56    47    54    70.00000  120.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   46    44    45    60.00000  122.76000
   46    48    49    35.00000  120.00000
   46    48    60    63.00000  120.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   48    60    62    63.00000  120.00000
   48    60    63    70.00000  120.00000
   60    48    49    35.00000  120.00000
   60    62    66    60.00000  119.52600
   60    63    64    35.00000  113.00000
   62    43    44    63.00000  120.00000
   62    66    67    75.00000  123.78400
   62    66    40    65.00000  115.47100
   66    40    41    35.00000  109.50000
   66    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    66    67    80.00000  120.40000
   42    40    41    33.00000  107.80000
   63    60    62    70.00000  120.00000
   50    46    48    70.00000  120.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  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    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    66   0.56750  1.0 1.0
   29    33    40    66  -0.07550 -1.0 2.0
   29    33    40    66   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   2.26350  1.0 1.0
   33    38    43    44   0.76750 -1.0 2.0
   33    38    43    44   0.22500  1.0 3.0
   33    38    43    62   2.26350  1.0 1.0
   33    38    43    62   0.76750 -1.0 2.0
   33    38    43    62   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    66  -0.11250  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    66   0.11950  1.0 1.0
   38    33    40    66   0.20300 -1.0 2.0
   38    33    40    66  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    43    44    45   3.62500 -1.0 2.0
   38    43    44    46   3.62500 -1.0 2.0
   38    43    62    60   3.62500 -1.0 2.0
   38    43   -62    66   3.62500 -1.0 2.0
   39    38    43    44   1.05000 -1.0 2.0
   39    38    43    62   1.05000 -1.0 2.0
   43    44    45    47  -0.19450  1.0 1.0
   43    44    45    47   0.63300 -1.0 2.0
   43    44    45    47   0.07450  1.0 3.0
   43    44    45    68  -0.19450  1.0 1.0
   43    44    45    68   0.63300 -1.0 2.0
   43    44    45    68   0.07450  1.0 3.0
   43    44    46    48   3.62500 -1.0 2.0
   43    44    46    50   3.62500 -1.0 2.0
   43    62    66    67   1.05000 -1.0 2.0
   43    62    66    40   2.26350  1.0 1.0
   43    62    66    40   0.76750 -1.0 2.0
   43    62    66    40   0.22500  1.0 3.0
   44    43    62    60   3.62500 -1.0 2.0
   44    43    62    66   3.62500 -1.0 2.0
   44    45    47    54   3.62500 -1.0 2.0
   44    45    47    56   3.62500 -1.0 2.0
   44    45    68    65   3.62500 -1.0 2.0
   44    45    68    71   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   44    46   -48    60   3.62500 -1.0 2.0
   44    46    50    51   0.00000  1.0 1.0
   44    46    50    52   0.00000  1.0 1.0
   44    46    50    53   0.00000  1.0 1.0
   45    44    46    48   3.62500 -1.0 2.0
   45    44    46    50   3.62500 -1.0 2.0
   45    47    54    55   3.62500 -1.0 2.0
   45    47    54    61   3.62500 -1.0 2.0
   45    47    56    57   0.00000  1.0 1.0
   45    47    56    58   0.00000  1.0 1.0
   45    47    56    59   0.00000  1.0 1.0
   45    68    71    72   0.84100 -1.0 2.0
   47    45    68    65   3.62500 -1.0 2.0
   47    45    68    71   3.62500 -1.0 2.0
   47    54   -61    65   3.62500 -1.0 2.0
   47    54    61    77   3.62500 -1.0 2.0
   54    47    56    57   0.00000  1.0 1.0
   54    47    56    58   0.00000  1.0 1.0
   54    47    56    59   0.00000  1.0 1.0
   54    61    65    68   3.62500 -1.0 2.0
   54    61    65    69   3.62500 -1.0 2.0
   54    61    77    75  -0.11500  1.0 1.0
   54    61    77    75   1.10450 -1.0 2.0
   54    61    77    75  -0.48050  1.0 3.0
   54    61    77    78   1.05000 -1.0 2.0
   55    54    61    65   3.62500 -1.0 2.0
   55    54    61    77   3.62500 -1.0 2.0
   61    65   -68    45   3.62500 -1.0 2.0
   61    65    68    71   3.62500 -1.0 2.0
   61    65    69    70   1.05000 -1.0 2.0
   61    65    69    73  -0.11500  1.0 1.0
   61    65    69    73   1.10450 -1.0 2.0
   61    65    69    73  -0.48050  1.0 3.0
   65    61    77    75  -0.11500  1.0 1.0
   65    61    77    75   1.10450 -1.0 2.0
   65    61    77    75  -0.48050  1.0 3.0
   65    61    77    78   1.05000 -1.0 2.0
   65    68    71    72   0.84100 -1.0 2.0
   65    69    73    74   1.64500 -1.0 2.0
   65    69   -73    75  -1.65800  1.0 1.0
   65    69   -73    75   0.77650 -1.0 2.0
   68    45   -47    54   3.62500 -1.0 2.0
   68    45    47    56   3.62500 -1.0 2.0
   68    65    69    70   1.05000 -1.0 2.0
   68    65    69    73  -0.11500  1.0 1.0
   68    65    69    73   1.10450 -1.0 2.0
   68    65    69    73  -0.48050  1.0 3.0
   69    65    68    45   3.62500 -1.0 2.0
   69    65    68    71   3.62500 -1.0 2.0
   69    73    75    76   7.00000 -1.0 2.0
   69    73    75    77   7.00000 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   1.00000 -1.0 2.0
   73    75   -77    61  -1.65800  1.0 1.0
   73    75   -77    61   0.77650 -1.0 2.0
   73    75    77    78   1.00000 -1.0 2.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   76    75    77    61   1.64500 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   77    61    65    68   3.62500 -1.0 2.0
   77    61   -65    69   3.62500 -1.0 2.0
   56    47    54    55   3.62500 -1.0 2.0
   56    47    54    61   3.62500 -1.0 2.0
   46    44    45    47  -0.19450  1.0 1.0
   46    44    45    47   0.63300 -1.0 2.0
   46    44    45    47   0.07450  1.0 3.0
   46    44    45    68  -0.19450  1.0 1.0
   46    44    45    68   0.63300 -1.0 2.0
   46    44    45    68   0.07450  1.0 3.0
   46    48    60    62   3.62500 -1.0 2.0
   46    48    60    63   3.62500 -1.0 2.0
   48    46    50    51   0.00000  1.0 1.0
   48    46    50    52   0.00000  1.0 1.0
   48    46    50    53   0.00000  1.0 1.0
   48    60   -62    43   3.62500 -1.0 2.0
   48    60    62    66   3.62500 -1.0 2.0
   48    60    63    64   0.84100 -1.0 2.0
   49    48    60    62   3.62500 -1.0 2.0
   49    48    60    63   3.62500 -1.0 2.0
   60    62    66    67   1.05000 -1.0 2.0
   60    62    66    40   2.26350  1.0 1.0
   60    62    66    40   0.76750 -1.0 2.0
   60    62    66    40   0.22500  1.0 3.0
   62    43    44    45   3.62500 -1.0 2.0
   62    43   -44    46   3.62500 -1.0 2.0
   62    60    63    64   0.84100 -1.0 2.0
   62    66   -40    33   0.05850 -1.0 2.0
   62    66   -40    33   0.17250  1.0 3.0
   62    66    40    41   0.00000  1.0 1.0
   62    66    40    42   0.00000  1.0 1.0
   67    66    40    33   0.30150 -1.0 2.0
   67    66    40    41   0.00000  1.0 1.0
   67    66    40    42   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.05850 -1.0 2.0
   40    33   -38    43   0.17250  1.0 3.0
   63    60    62    43   3.62500 -1.0 2.0
   63    60    62    66   3.62500 -1.0 2.0
   50    46    48    49   3.62500 -1.0 2.0
   50    46    48    60   3.62500 -1.0 2.0
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    43    38    39  10.50000 -1.0 2.0
   44    62    43    38   4.00000 -1.0 2.0
   45    46    44    43   4.00000 -1.0 2.0
   47    68    45    44   4.00000 -1.0 2.0
   54    56    47    45   4.00000 -1.0 2.0
   61    55    54    47   1.10000 -1.0 2.0
   65    77    61    54   4.00000 -1.0 2.0
   68    69    65    61   4.00000 -1.0 2.0
   65    71    68    45   4.00000 -1.0 2.0
   65    73    69    70  10.50000 -1.0 2.0
   69    74    73    75   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   61    75    77    78  10.50000 -1.0 2.0
   48    50    46    44   4.00000 -1.0 2.0
   60    49    48    46   1.10000 -1.0 2.0
   62    63    60    48   4.00000 -1.0 2.0
   60    66    62    43   4.00000 -1.0 2.0
   62    40    66    67  10.50000 -1.0 2.0
END
