* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    141    229     420
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02075    33.55322  -178.82497
    3     1 S   H    _H1_     3     1.02109    94.51004   -61.35981
    4     1 S   H    _H2_     4     1.02130    85.67811    47.12201
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C16    36     1.83811    97.75802   161.85117
   34    33 S   HC   _H5_    37     1.10271   104.75893   -42.30543
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C12    38     1.51324   108.84072  -159.96800
   39    38 S   CT   _C13    39     1.51207   117.24559   -79.08379
   40    39 S   HC   _H12    40     1.10314   108.65408    89.53842
   41    39 S   HC   _H13    41     1.10335   110.65967  -155.41232
   42    38 S   CM   _C11    55     1.34329   121.58048   105.24054
   43    42 S   HC   _H11    56     1.07918   121.22825    -4.41876
   44    39 S   CT   _C14    42     1.53262   113.55483   -31.96603
   45    44 S   HC   _H3_    43     1.05897   111.17998    98.55766
   46    42 S   CG   _C10    57     1.46458   118.27335   175.56535
   47    46 S   HC   _H10    58     1.09929   119.67100    29.91447
   48    44 S   NP   _N5_    44     1.49514   109.55274   -20.41425
   49    48 S   H    _H14    45     1.01970   108.87114  -174.47703
   50    48 S   H    _H15    46     1.01950   109.64739   -58.09313
   51    44 S   CO3  _C18    52     1.51443   107.80558  -143.78279
   52    51 S   O2Z  _O38    53     1.26222   115.25896    60.04044
   53    51 S   O2Z  _O37    54     1.26206   114.81556  -120.05282
   54    46 S   NIP  _N4_    59     1.28061   122.42143  -149.97854
   55    33 S   CT   _C15    47     1.54151   110.41390    74.55262
   56    55 S   HC   _H4_    48     1.06802   112.85542     0.14804
   57    54 S   CA   _C6_    60     1.40318   123.95953   179.97202
   58    54 S   CT   _C19    71     1.49225   126.40295     0.05234
   59    58 S   HC   _H16    72     1.09445   108.27263    60.46558
   60    58 S   HC   _H17    73     1.09589   108.37217   -58.79943
   61    55 S   CO3  _C17    49     1.51794   107.87992  -117.02883
   62    61 S   O2Z  _O36    50     1.26207   115.28707   -58.66256
   63    61 S   O2Z  _O35    51     1.26369   114.75961   121.28238
   64    57 S   CA   _C7_    61     1.38637   128.86458    -0.40830
   65    64 S   HA   _H7_    62     1.08493   122.51451     0.08393
   66    64 S   CA   _C8_    63     1.39792   117.86429  -179.96044
   67    66 S   CA   _C9_    64     1.40287   120.71868     0.03956
   68    66 S   OH   _O34    76     1.36397   119.14351   179.93439
   69    68 S   HO   _H9_    77     0.97031   110.09075     0.03956
   70    67 S   CA   _C4_    65     1.39629   120.60383    -0.07913
   71    70 S   HA   _H6_    66     1.08557   120.80326  -179.89721
   72    67 S   OH   _O33    74     1.36372   120.19550   179.97202
   73    72 S   HO   _H8_    75     0.97026   110.15291   179.91607
   74    57 S   CA   _C5_    67     1.39203   109.50185   179.62780
   75    74 S   CT   _C20    68     1.49248   111.81378    -0.17471
   76    75 S   HC   _H18    69     1.09506   111.35268   119.72529
   77    75 S   HC   _H19    70     1.09572   111.11404  -118.21498
  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
  17   7   2   1   1  15  14   6   5   8   3  10   7   9   3  10
   5   4   3   1   1  12   4   3  14   8   5   4   2   1   1   9
   4   8   8   3   1   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    55    56    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    50    55    56    61    62    63    42    43    46  
   38    39    48    55    56    61    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    55    56    61    51    42    43    46    47    54  
   40    41    44    45    48    49    50    55    51    52    53    42    43    46  
   41    44    45    48    51    42  
   44    45    48    51    42  
   43    46    47    54    57    58    44    55  
   46    47    54  
   45    48    49    50    55    56    61    51    52    53  
   48    49    50    55    51    52    53  
   47    54    57    64    74    75    58    59    60  
   54    57    58  
   49    50    55    56    61    62    63    51    52    53  
   50    55    56    61    51  
   55    56    61    51  
   52    53    55  
   53  
    0  
   57    64    65    66    70    74    75    76    77    58    59    60  
   56    61    62    63  
   61    62    63  
   64    65    66    67    70    71    74    75    76    77    58    59    60    68  
   59    60    64    70    74    75    76    77  
   60    74    75    76    77  
   74    75    76    77  
   62    63  
   63  
    0  
   65    66    67    70    74    75    72    68    69  
   66    67    74    68  
   67    70    71    74    72    73    68    69  
   70    71    74    75    72    73    68    69  
   69    70    72  
    0  
   71    74    75    76    77    72    73  
   74    75    72  
   73    74  
    0  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700   0.135000   2.2900   2.0360   0.003973653   1.685851020
   49   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   52   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   53   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   54   3.2500   0.1700  -0.065700   2.2900   2.0360   0.003973653   1.685851020
   55   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.286700   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   62   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   63   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    55   268.000  1.529
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   367.000  1.471
   44    51   317.000  1.522
   48    49   434.000  1.010
   48    50   434.000  1.010
   48    55   367.000  1.471
   55    56   340.000  1.090
   55    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   51    52   656.000  1.250
   51    53   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    54   635.000  1.286
   54    57   340.000  1.432
   54    58   280.000  1.462
   57    64   469.000  1.400
   57    74   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    68   450.000  1.364
   67    70   469.000  1.400
   67    72   450.000  1.364
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   72    73   553.000  0.945
   68    69   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    48    80.00000  111.20000
   33    55    56    37.50000  110.70000
   33    55    61    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.20000
   39    44    51    70.00000  109.69300
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    55    75.00000  113.01200
   44    51    52    70.00000  117.00000
   44    51    53    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    55    56    35.00000  109.50000
   48    55    61    80.00000  109.26000
   50    48    49    35.00000  109.50000
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    48    49    35.00000  109.50000
   55    48    50    35.00000  109.50000
   55    61    62    70.00000  117.00000
   55    61    63    70.00000  117.00000
   61    55    56    35.00000  109.50000
   63    61    62    80.00000  126.00000
   51    44    45    35.00000  109.50000
   51    44    48    80.00000  109.26000
   53    51    52    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    54    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    54    57    65.00000  127.86000
   46    54    58    70.00000  122.59000
   54    46    47    45.00000  118.03900
   54    57    64    70.00000  116.83300
   54    57    74    70.00000  116.83300
   54    58    75    75.00000  111.57000
   54    58    59    50.00000  106.46400
   54    58    60    50.00000  106.46400
   57    64    65    35.00000  120.00000
   57    64    66    63.00000  120.00000
   57    74    70    63.00000  120.00000
   57    74    75    70.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    68    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    70    63.00000  120.00000
   66    67    72    70.00000  120.00000
   66    68    69    35.00000  113.00000
   67    70    71    35.00000  120.00000
   67    70    74    63.00000  120.00000
   67    72    73    35.00000  113.00000
   70    74    75    70.00000  120.00000
   74    57    64    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    58    70.00000  112.17500
   75    58    59    37.50000  110.70000
   75    58    60    37.50000  110.70000
   77    75    76    33.00000  107.80000
   58    54    57    70.00000  121.00000
   58    75    76    37.50000  110.70000
   58    75    77    37.50000  110.70000
   60    58    59    33.00000  107.80000
   72    67    70    70.00000  120.00000
   68    66    67    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    55    48   0.56750  1.0 1.0
   29    33    55    48  -0.07550 -1.0 2.0
   29    33    55    48   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    61   0.56750  1.0 1.0
   29    33    55    61  -0.07550 -1.0 2.0
   29    33    55    61   0.20000  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    55    61    62   0.41150 -1.0 2.0
   33    55    61    63   0.41150 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    55    48   0.19200  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    61  -0.11250  1.0 3.0
   38    33    55    48  -0.47300  1.0 1.0
   38    33    55    48   0.29700 -1.0 2.0
   38    33    55    48   0.83300  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    61  -0.98800  1.0 1.0
   38    33    55    61   0.48800 -1.0 2.0
   38    33    55    61   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48  -0.47300  1.0 1.0
   38    39   -44    48   0.29700 -1.0 2.0
   38    39   -44    48   0.83300  1.0 3.0
   38    39    44    51  -0.98800  1.0 1.0
   38    39    44    51   0.48800 -1.0 2.0
   38    39    44    51   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    54   1.09700  1.0 1.0
   38    42    46    54   0.56350 -1.0 2.0
   38    42    46    54   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.17350  1.0 3.0
   39    44    48    50   0.17350  1.0 3.0
   39    44    48    55   0.47100  1.0 1.0
   39    44    51    52   0.41150 -1.0 2.0
   39    44    51    53   0.41150 -1.0 2.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.19200  1.0 3.0
   40    39    44    51  -0.11250  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.19200  1.0 3.0
   41    39    44    51  -0.11250  1.0 3.0
   44    48   -55    33   0.47100  1.0 1.0
   44    48    55    56   0.15000  1.0 3.0
   44    48    55    61   0.47100  1.0 1.0
   45    44    48    49   0.13050  1.0 3.0
   45    44    48    50   0.13050  1.0 3.0
   45    44    48    55   0.15000  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   48    44    51    52   0.30150 -1.0 2.0
   48    44    51    53   0.30150 -1.0 2.0
   48    55    61    62   0.30150 -1.0 2.0
   48    55    61    63   0.30150 -1.0 2.0
   49    48    55    33   0.17350  1.0 3.0
   49    48    55    56   0.13050  1.0 3.0
   49    48    55    61   0.17350  1.0 3.0
   50    48    55    33   0.17350  1.0 3.0
   50    48    55    56   0.13050  1.0 3.0
   50    48    55    61   0.17350  1.0 3.0
   55    33   -38    39   0.46850  1.0 1.0
   55    33   -38    39   0.08550 -1.0 2.0
   55    33   -38    39   0.09800  1.0 3.0
   55    33    38    42   0.09850  1.0 1.0
   55    33    38    42   0.15250 -1.0 2.0
   55    33    38    42  -0.50650  1.0 3.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    63   0.00000  1.0 1.0
   51    44    48    49   0.17350  1.0 3.0
   51    44    48    50   0.17350  1.0 3.0
   51    44    48    55   0.47100  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    54    57   2.00000 -1.0 2.0
   42    46    54    58   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    54   0.97550 -1.0 2.0
   46    54    57    64   1.00000 -1.0 2.0
   46    54    57    74   1.00000 -1.0 2.0
   46    54    58    75   0.00000  1.0 1.0
   46    54    58    59  -0.22200  1.0 3.0
   46    54    58    60  -0.22200  1.0 3.0
   47    46    54    57   2.00000 -1.0 2.0
   47    46    54    58   2.00000 -1.0 2.0
   54    57    64    65   3.62500 -1.0 2.0
   54    57    64    66   3.62500 -1.0 2.0
   54    57    74    70   3.62500 -1.0 2.0
   54    57   -74    75   3.62500 -1.0 2.0
   57    54   -58    75   0.00000  1.0 1.0
   57    54    58    59   0.00000  1.0 1.0
   57    54    58    60   0.00000  1.0 1.0
   57    64    66    67   3.62500 -1.0 2.0
   57    64    66    68   3.62500 -1.0 2.0
   57    74    75    76   0.00000  1.0 1.0
   57    74    75    77   0.00000  1.0 1.0
   57    74   -75    58   0.04150 -1.0 2.0
   64    57    74    70   3.62500 -1.0 2.0
   64    57    74    75   3.62500 -1.0 2.0
   64    66   -67    70   3.62500 -1.0 2.0
   64    66    67    72   3.62500 -1.0 2.0
   64    66    68    69   0.84100 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    67    70    71   3.62500 -1.0 2.0
   66    67    70    74   3.62500 -1.0 2.0
   66    67    72    73   0.84100 -1.0 2.0
   67    66    68    69   0.84100 -1.0 2.0
   67    70   -74    57   3.62500 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   70    67    72    73   0.84100 -1.0 2.0
   70    74    75    76   0.00000  1.0 1.0
   70    74    75    77   0.00000  1.0 1.0
   70    74    75    58   0.04150 -1.0 2.0
   71    70    74    57   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   74    57    64    65   3.62500 -1.0 2.0
   74    57   -64    66   3.62500 -1.0 2.0
   74    75   -58    54   0.56750  1.0 1.0
   74    75   -58    54  -0.07550 -1.0 2.0
   74    75   -58    54   0.20000  1.0 3.0
   74    75    58    59   0.43200  1.0 3.0
   74    75    58    60   0.43200  1.0 3.0
   76    75    58    54   0.15000  1.0 3.0
   76    75    58    59   0.15000  1.0 3.0
   76    75    58    60   0.15000  1.0 3.0
   77    75    58    54   0.15000  1.0 3.0
   77    75    58    59   0.15000  1.0 3.0
   77    75    58    60   0.15000  1.0 3.0
   58    54    57    64   1.00000 -1.0 2.0
   58    54   -57    74   1.00000 -1.0 2.0
   72    67    70    71   3.62500 -1.0 2.0
   72    67    70    74   3.62500 -1.0 2.0
   68    66    67    70   3.62500 -1.0 2.0
   68    66    67    72   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   62    55    61    63  10.50000 -1.0 2.0
   52    44    51    53  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    54  10.50000 -1.0 2.0
   57    58    54    46   1.00000 -1.0 2.0
   64    74    57    54   4.00000 -1.0 2.0
   66    65    64    57   1.10000 -1.0 2.0
   67    68    66    64   4.00000 -1.0 2.0
   70    72    67    66   4.00000 -1.0 2.0
   74    71    70    67   1.10000 -1.0 2.0
   70    75    74    57   4.00000 -1.0 2.0
END
