* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    151    222     431
    1     0 S   NP   _N1_     1    28.03372    97.19284   -21.71399
    2     1 S   H    _HN1     2     1.02958    71.48497    -2.19660
    3     1 S   H    _H1_     3     1.02836    41.46526   145.61691
    4     1 S   H    _H2_     4     1.02778    99.78132  -108.38162
    5     1 S   CT   _CA1     5     1.50145   144.46048    97.21115
    6     5 S   HC   _HA1     6     1.09577   105.19384    91.15785
    7     5 S   CO3  _C1_     7     1.53763   112.30646   -28.98618
    8     7 S   O2Z  _O11     8     1.26365   114.99044   -44.93690
    9     7 S   O2Z  _O12     9     1.26230   114.92138   134.00578
   10     5 S   CT   _CB1    10     1.53078   107.39868  -150.99271
   11    10 S   HC   HB11    11     1.09831   109.26433   -50.57707
   12    10 S   HC   HB12    12     1.09814   110.46311    65.94838
   13    10 S   CT   _CG1    13     1.53039   112.71512  -171.63698
   14    13 S   HC   HG11    14     1.09590   110.53220   -65.57196
   15    13 S   HC   HG12    15     1.09659   109.88889    53.65431
   16    13 S   C    _CD1    16     1.51852   112.20291   173.97104
   17    16 S   O    _OE1    17     1.22770   123.24046     2.68088
   18    16 S   N    _N2_    18     1.38567   111.82435  -177.28783
   19    18 S   H    _HN2    19     1.01564   119.11042     3.71278
   20    18 S   CT1  _CA2    20     1.45803   122.71132   177.20166
   21    20 S   HC   _HA2    21     1.09682   108.79995    25.21590
   22    20 S   C    _C2_    22     1.52813   106.88115   -91.87244
   23    22 S   O    _O2_    23     1.22987   122.87512   -33.89823
   24    20 S   CT   _CB2    32     1.53344   112.37088   148.65132
   25    24 S   HC   HB21    33     1.09520   109.64350    49.99117
   26    24 S   HC   HB22    34     1.09179   109.39996   168.76879
   27    22 S   N    _N3_    24     1.38527   112.62585   148.78751
   28    27 S   H    _HN3    25     1.01658   120.37491    -2.41525
   29    24 S   S    _SG2    35     1.82578   110.39109   -70.23702
   30    27 S   CT   _CA3    26     1.45356   122.37893   178.52501
   31    30 S   HC   HA31    27     1.09572   107.32390   -63.99314
   32    30 S   HC   HA32    28     1.09558   108.09719    52.29366
   33    29 S   CT   _C16    36     1.89486   103.81943  -172.91490
   34    30 S   CO3  _C3_    29     1.52855   114.27630   173.99097
   35    34 S   O2Z  _O31    30     1.26310   115.97680   -15.24099
   36    34 S   O2Z  _O32    31     1.26424   114.49804   164.98201
   37    33 S   CT   _C15    37     1.56612   110.46213   -35.36944
   38    37 S   HC   _H16    38     1.09632   110.60256    61.27769
   39    37 S   HC   _H17    39     1.09661   111.71211   -56.18624
   40    33 S   CT   _C17    77     1.60554   105.00061  -155.05732
   41    40 S   OM   _O35    78     1.32871   111.18739    69.42886
   42    40 S   HC   _H18    79     1.09810   105.76405   -57.26971
   43    40 S   HC   _H19    80     1.09737   106.36606  -163.77154
   44    37 S   CT   _C14    40     1.52486   112.61853  -179.28127
   45    44 S   HC   _H14    41     1.09574   109.38853  -176.13092
   46    44 S   HC   _H15    42     1.09368   112.53551    64.43369
   47    44 S   CO4  _C13    43     1.50887   109.88415   -56.89752
   48    47 S   O    _O34    44     1.23121   120.69347  -130.74235
   49    47 S   CT   _C12    45     1.53048   116.42028    52.92445
   50    49 S   HC   _H4_    46     1.09305   107.09371    70.28734
   51    33 S   CT   _C11    47     1.60697   110.78745    83.47739
   52    49 S   OS   _O36    72     1.43115   108.47574  -171.38005
   53    51 S   C3T  _C9_    48     1.55854   115.27582    55.69905
   54    51 S   OH   _O37    70     1.44394   107.78754   -65.50081
   55    54 S   HO   _H23    71     0.97454   106.65724  -175.31788
   56    52 S   CT   _C18    73     1.42163   113.04935   -92.39791
   57    56 S   HC   _H20    74     1.09321   108.26843   177.04793
   58    56 S   HC   _H21    75     1.09380   111.06942    57.82726
   59    56 S   HC   _H22    76     1.09426   110.20749   -64.46179
   60    53 S   C3T  _C8_    49     1.54845   125.74840   -90.84626
   61    60 S   HC   _H3_    50     1.08607   116.41346   157.92123
   62    53 S   CT   _C10    66     1.51214   118.72138    73.55512
   63    62 S   HC   _H11    67     1.09017   113.90641    14.90120
   64    62 S   HC   _H12    68     1.09493   109.94582  -106.56782
   65    62 S   HC   _H13    69     1.09652   111.00452   135.22499
   66    53 S   O3T  _O33    51     1.44862   112.06249  -154.84869
   67    60 S   CT   _C7_    52     1.49518   129.17414     1.77971
   68    67 S   HC   _H9_    53     1.08828   113.14010   -19.12074
   69    67 S   HC   _H10    54     1.09652   107.81317    96.58760
   70    67 S   CM   _C6_    55     1.50670   113.71348  -145.55037
   71    70 S   HC   _H8_    56     1.08928   114.19850   -77.63224
   72    70 S   CM   _C5_    57     1.34664   127.58551   103.97575
   73    72 S   CT   _C4_    58     1.50526   120.50837   178.01338
   74    73 S   HC   _H5_    59     1.09493   110.27761   119.53383
   75    73 S   HC   _H6_    60     1.09500   110.21346  -120.64676
   76    73 S   HC   _H7_    61     1.09510   112.40667    -0.59774
   77    72 S   CT   _C19    62     1.50260   125.13307    -2.32001
   78    77 S   HC   _H24    63     1.09462   110.21295   116.80521
   79    77 S   HC   _H25    64     1.09534   109.99277  -123.90507
   80    77 S   HC   _H26    65     1.09144   113.54345    -4.14666
  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  13   5   4   3
  21   2   1   1  15   7   6   8   3   2   1   8   4   3   8   4
  13   5  13   6  13   4   1   3   2   1   1  12   6   5   3   2
   1   4   7   4   3  10   3   8   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    51    53    54    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    49    50    51    53    60    66    62    54    55    52    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    51    53    54    40    41    42    43  
   39    44    45    46    47    51    40  
   44    45    46    47    51    40  
   41    42    43    44    49    51    53    54  
   42    43    51  
   43    51  
   51  
   45    46    47    48    49    50    51    52  
   46    47    48    49  
   47    48    49  
   48    49    50    51    53    54    52    56  
   49    50    51    52  
   50    51    53    60    66    62    54    55    52    56    57    58    59  
   51    53    54    52    56  
   53    60    61    66    67    62    63    64    65    54    55    52    56  
   56    57    58    59    53    54  
   60    61    66    67    68    69    70    62    63    64    65    54    55  
   55    60    62    66  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    66    67    68    69    70    71    72    62    63    64    65  
   66    67    68    69    70    62  
   63    64    65    66    67  
   64    65    66  
   65    66  
   66  
   67    68    69    70  
   68    69    70    71    72    73    77  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   317.000  1.522
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   320.000  1.410
   51    53   275.000  1.510
   51    54   320.000  1.410
   53    60   260.000  1.509
   53    66   335.000  1.432
   53    62   275.000  1.510
   60    61   340.000  1.088
   60    66   335.000  1.432
   60    67   275.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   553.000  0.945
   52    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    43   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    51    49    58.35000  112.70000
   33    51    53    70.00000  112.37300
   33    51    54    50.00000  109.50000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    63.00000  111.10000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    47    48    80.00000  120.40000
   44    47    49    70.00000  116.00000
   46    44    45    33.00000  107.80000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   47    49    50    35.00000  109.50000
   47    49    51    63.00000  111.10000
   47    49    52    90.00000  108.74100
   49    47    48    80.00000  120.40000
   49    51    53    70.00000  112.37300
   49    51    54    50.00000  109.50000
   49    52    56    60.00000  109.50000
   51    33    37    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    60    60.00000  120.94000
   51    53    66    80.00000  116.47100
   51    53    62    58.35000  112.70000
   51    54    55    55.00000  108.50000
   53    60    61    37.50000  117.20000
   53    60    66    15.00000   60.43100
   53    60    67    60.00000  120.94000
   53    66    60    15.00000   59.14900
   53    62    63    45.00000  109.38400
   53    62    64    45.00000  109.38400
   53    62    65    45.00000  109.38400
   60    67    68    45.00000  109.38400
   60    67    69    45.00000  109.38400
   60    67    70    70.00000  112.02700
   66    53    60    15.00000   60.43100
   66    60    61    50.00000  114.27700
   67    60    61    40.00000  115.04500
   67    60    66    80.00000  116.47100
   67    70    71    35.00000  117.00000
   67    70    72    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   62    53    60    60.00000  120.94000
   62    53    66    80.00000  116.47100
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    51    53    50.00000  109.50000
   52    49    50    35.00000  109.50000
   52    49    51    50.00000  109.50000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    45.00000  125.66300
   43    40    41    45.00000  125.66300
   43    40    42    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    51    54   0.56750  1.0 1.0
   29    33    51    54  -0.07550 -1.0 2.0
   29    33    51    54   0.20000  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.15000  1.0 3.0
   33    37    44    47  -0.95700  1.0 1.0
   33    37    44    47  -0.18200 -1.0 2.0
   33    37    44    47   0.29450  1.0 3.0
   33    51    53    60   0.07850  1.0 1.0
   33    51    53    60  -0.03950 -1.0 2.0
   33    51    53    60   0.67350  1.0 3.0
   33    51    53    66   0.02550  1.0 1.0
   33    51    53    66  -0.02600 -1.0 2.0
   33    51    53    66   1.20400  1.0 3.0
   33    51    53    62   0.56750  1.0 1.0
   33    51    53    62  -0.07550 -1.0 2.0
   33    51    53    62   0.20000  1.0 3.0
   33    51    54    55  -0.11600  1.0 1.0
   33    51    54    55  -0.09450 -1.0 2.0
   33    51    54    55   0.21250  1.0 3.0
   37    33    51    49   0.56750  1.0 1.0
   37    33    51    49  -0.07550 -1.0 2.0
   37    33    51    49   0.20000  1.0 3.0
   37    33    51    53   0.47050  1.0 1.0
   37    33    51    53   0.03900 -1.0 2.0
   37    33    51    53   0.20100  1.0 3.0
   37    33    51    54   0.86500  1.0 1.0
   37    33    51    54  -0.17500 -1.0 2.0
   37    33    51    54   0.20800  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    47    48   0.30150 -1.0 2.0
   37    44   -47    49   0.60050  1.0 1.0
   37    44   -47    49   0.05600 -1.0 2.0
   37    44   -47    49   0.26150  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    47  -0.11250  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    47  -0.11250  1.0 3.0
   44    47    49    50   0.00000  1.0 1.0
   44    47    49    51   0.60050  1.0 1.0
   44    47    49    51   0.05600 -1.0 2.0
   44    47    49    51   0.26150  1.0 3.0
   44    47    49    52   0.55300  1.0 1.0
   44    47    49    52   1.25850 -1.0 2.0
   44    47    49    52  -0.23600  1.0 3.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   46    44    47    48   0.00000  1.0 1.0
   46    44    47    49   0.00000  1.0 1.0
   47    49   -51    33  -0.95700  1.0 1.0
   47    49   -51    33  -0.18200 -1.0 2.0
   47    49   -51    33   0.29450  1.0 3.0
   47    49    51    53  -0.95700  1.0 1.0
   47    49    51    53  -0.18200 -1.0 2.0
   47    49    51    53   0.29450  1.0 3.0
   47    49    51    54  -0.09450  1.0 1.0
   47    49    51    54  -1.12950 -1.0 2.0
   47    49    51    54   0.54000  1.0 3.0
   47    49    52    56  -1.11000  1.0 1.0
   47    49    52    56   0.50250 -1.0 2.0
   47    49    52    56   0.47450  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.30150 -1.0 2.0
   48    47    49    52   0.30150 -1.0 2.0
   49    51    53    60   0.07850  1.0 1.0
   49    51    53    60  -0.03950 -1.0 2.0
   49    51    53    60   0.67350  1.0 3.0
   49    51    53    66   0.02550  1.0 1.0
   49    51    53    66  -0.02600 -1.0 2.0
   49    51    53    66   1.20400  1.0 3.0
   49    51    53    62   0.56750  1.0 1.0
   49    51    53    62  -0.07550 -1.0 2.0
   49    51    53    62   0.20000  1.0 3.0
   49    51    54    55  -0.11600  1.0 1.0
   49    51    54    55  -0.09450 -1.0 2.0
   49    51    54    55   0.21250  1.0 3.0
   49    52    56    57   0.37050  1.0 3.0
   49    52    56    58   0.37050  1.0 3.0
   49    52    56    59   0.37050  1.0 3.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.23400  1.0 3.0
   50    49    52    56   0.37050  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    44   0.56750  1.0 1.0
   51    33   -37    44  -0.07550 -1.0 2.0
   51    33   -37    44   0.20000  1.0 3.0
   51    33    40    41   0.62750  1.0 1.0
   51    33    40    41  -0.30950 -1.0 2.0
   51    33    40    41   0.27300  1.0 3.0
   51    33    40    42   0.15000  1.0 3.0
   51    33    40    43   0.15000  1.0 3.0
   51    49    52    56   0.06250  1.0 1.0
   51    49    52    56  -0.01100 -1.0 2.0
   51    49    52    56   0.28050  1.0 3.0
   51    53    60    61   0.15000  1.0 3.0
   51    53   -60    66   0.02550  1.0 1.0
   51    53   -60    66  -0.02600 -1.0 2.0
   51    53   -60    66   1.20400  1.0 3.0
   51    53    60    67   0.56750  1.0 1.0
   51    53    60    67  -0.07550 -1.0 2.0
   51    53    60    67   0.20000  1.0 3.0
   51    53   -66    60   0.06250  1.0 1.0
   51    53   -66    60  -0.01100 -1.0 2.0
   51    53   -66    60   0.28050  1.0 3.0
   51    53    62    63   0.15000  1.0 3.0
   51    53    62    64   0.15000  1.0 3.0
   51    53    62    65   0.15000  1.0 3.0
   53    51    54    55  -0.11600  1.0 1.0
   53    51    54    55  -0.09450 -1.0 2.0
   53    51    54    55   0.21250  1.0 3.0
   53    60    67    68   0.15000  1.0 3.0
   53    60    67    69   0.15000  1.0 3.0
   53    60    67    70   0.34400  1.0 1.0
   53    60    67    70   0.09450 -1.0 2.0
   53    60    67    70   0.11100  1.0 3.0
   60    53    62    63   0.15000  1.0 3.0
   60    53    62    64   0.15000  1.0 3.0
   60    53    62    65   0.15000  1.0 3.0
   60    67    70    71   0.00000  1.0 1.0
   60    67    70    72   0.09850  1.0 1.0
   60    67    70    72   0.15250 -1.0 2.0
   60    67    70    72  -0.50650  1.0 3.0
   61    60   -66    53   0.36800  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   66    53   -60    61   0.23400  1.0 3.0
   66    53   -60    67   0.02550  1.0 1.0
   66    53   -60    67  -0.02600 -1.0 2.0
   66    53   -60    67   1.20400  1.0 3.0
   66    53    62    63   0.23400  1.0 3.0
   66    53    62    64   0.23400  1.0 3.0
   66    53    62    65   0.23400  1.0 3.0
   66    60    67    68   0.23400  1.0 3.0
   66    60    67    69   0.23400  1.0 3.0
   66    60    67    70   0.61850  1.0 1.0
   66    60    67    70  -0.22750 -1.0 2.0
   66    60    67    70   0.15300  1.0 3.0
   67    60   -66    53   0.06250  1.0 1.0
   67    60   -66    53  -0.01100 -1.0 2.0
   67    60   -66    53   0.28050  1.0 3.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    77   7.00000 -1.0 2.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.33100  1.0 3.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
   62    53    60    61   0.15000  1.0 3.0
   62    53   -60    66   0.02550  1.0 1.0
   62    53   -60    66  -0.02600 -1.0 2.0
   62    53   -60    66   1.20400  1.0 3.0
   62    53    60    67   0.56750  1.0 1.0
   62    53    60    67  -0.07550 -1.0 2.0
   62    53    60    67   0.20000  1.0 3.0
   62    53   -66    60   0.06250  1.0 1.0
   62    53   -66    60  -0.01100 -1.0 2.0
   62    53   -66    60   0.28050  1.0 3.0
   54    51    53    60   0.86500  1.0 1.0
   54    51    53    60  -0.17500 -1.0 2.0
   54    51    53    60   0.20800  1.0 3.0
   54    51    53    66   3.69350  1.0 1.0
   54    51    53    66  -1.82950 -1.0 2.0
   54    51    53    62   0.86500  1.0 1.0
   54    51    53    62  -0.17500 -1.0 2.0
   54    51    53    62   0.20800  1.0 3.0
   52    49    51    33   0.62750  1.0 1.0
   52    49    51    33  -0.30950 -1.0 2.0
   52    49    51    33   0.27300  1.0 3.0
   52    49    51    53  -0.26800  1.0 1.0
   52    49    51    53   0.69150 -1.0 2.0
   52    49    51    53  -0.48750  1.0 3.0
   52    49    51    54   3.69350  1.0 1.0
   52    49    51    54  -1.82950 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    51    49   0.56750  1.0 1.0
   40    33    51    49  -0.07550 -1.0 2.0
   40    33    51    49   0.20000  1.0 3.0
   40    33    51    53   0.47050  1.0 1.0
   40    33    51    53   0.03900 -1.0 2.0
   40    33    51    53   0.20100  1.0 3.0
   40    33    51    54   0.86500  1.0 1.0
   40    33    51    54  -0.17500 -1.0 2.0
   40    33    51    54   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   44    49    47    48  10.50000 -1.0 2.0
   67    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
