* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    142    218     416
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02061    98.06468   -53.94013
    3     1 S   H    _H1_     3     1.02057    80.97897    53.83442
    4     1 S   H    _H2_     4     1.02088    35.56144  -164.94939
    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     1.08641   109.88695   179.05581
   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   CO4  _C23    36     1.76730   100.54140   -78.12508
   34    33 S   O    _O39    37     1.22546   122.43441   -32.25117
   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   CT   _C22    38     1.51231   113.32139   149.98713
   39    38 S   HC   _H19    39     1.09532   107.19303   117.71227
   40    38 S   HC   _H20    40     1.09606   109.70378    -0.80988
   41    38 S   CO4  _C21    41     1.51909   115.83083  -121.42848
   42    41 S   O    _O38    42     1.23002   121.99180     3.68259
   43    41 S   CT   _C20    43     1.51656   115.66228   179.71196
   44    43 S   HC   _H17    44     1.09575   106.94211   -60.05957
   45    43 S   HC   _H18    45     1.09472   108.62109    57.71900
   46    43 S   CO4  _C19    46     1.51762   116.48297   178.44053
   47    46 S   O    _O37    47     1.22940   122.16725   -31.49165
   48    46 S   CT   _C18    48     1.51377   114.51301   150.69589
   49    48 S   HC   _H15    49     1.08772   109.70327     0.02798
   50    48 S   HC   _H16    50     1.08678   109.63622   120.90544
   51    48 S   CM   _C9_    51     1.50923   110.59661  -119.38636
   52    51 S   CM   _C8_    52     1.35228   125.64554  -149.71352
   53    52 S   CT   _C17    53     1.51672   122.16950   178.87465
   54    53 S   HC   _H3_    54     1.09937   108.85778   133.30924
   55    52 S   CMA  _C7_    72     1.45038   123.94667    -2.54006
   56    55 S   OM   _O40    73     1.26209   110.59497   139.92600
   57    53 S   CA   _C16    55     1.50857   115.58761    12.26048
   58    53 S   OH   _O34    70     1.42968   108.96375  -108.49716
   59    58 S   HO   _H12    71     0.96811   106.29381    65.74230
   60    55 S   CM   _C6_    74     1.35214   116.74530   -39.98333
   61    60 S   HC   _H7_    75     1.08737   120.74032    -0.00000
   62    57 S   CA   _C11    56     1.39963   121.07300   -12.01283
   63    60 S   CO4  _C5_    76     1.49706   124.11235   179.96574
   64    63 S   O    _O33    77     1.22866   122.69865     1.49279
   65    62 S   CA   _C12    57     1.40404   119.56366  -178.59695
   66    65 S   HA   _H10    58     1.08713   119.81973   179.45213
   67    51 S   CT   _C10    67     1.51342   112.52989    29.90334
   68    67 S   HC   _H8_    68     1.09860   108.04760    48.60056
   69    67 S   HC   _H9_    69     1.09697   108.69218   -68.17166
   70    63 S   CT   _C4_    78     1.50696   116.33733   179.96044
   71    70 S   HC   _H4_    79     1.09278   109.38944    89.97774
   72    70 S   HC   _H5_    80     1.09415   109.19958   -30.11877
   73    70 S   HC   _H6_    81     1.09298   111.09181  -148.81829
   74    65 S   CA   _C13    59     1.39445   120.62562    -0.55953
   75    74 S   CA   _C14    60     1.39113   119.88974     0.16669
   76    75 S   HA   _H11    61     1.08749   120.02216  -180.00000
   77    74 S   OH   _O36    65     1.36022   119.99757  -179.75531
   78    77 S   HO   _H14    66     0.97058   110.30815    -0.05595
   79    57 S   CA   _C15    62     1.40511   119.60889   168.87401
   80    79 S   OH   _O35    63     1.36472   120.92952    -0.91322
   81    80 S   HO   _H13    64     0.96953   110.05358   179.86294
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   7   4   2   1   1   8   4   3   7   4   8   4   3   7   4  10
   4   3  13  15  13   6   9   3  14   3   1   7   3  10   5   4
  10   4   4   1   1   3   2   1   1   6   6   3   2   1   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43  
   38    39    40    41  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46  
   40    41    42    43  
   41    42    43  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48  
   47    48    49    50    51    52    67  
   48    49    50    51  
   49    50    51    52    53    62    67    68    69    55  
   50    51    52    67  
   51    52    67  
   52    53    54    57    62    65    67    68    69    58    55    56    60  
   53    54    57    62    79    67    68    69    58    59    55    56    60    61    63  
   54    57    62    65    75    79    80    67    58    59    55    56    60  
   57    62    79    58    59    55  
   56    60    61    63    64    70    57    58    67  
   60    61    63  
   62    65    66    74    75    76    79    80    81    67    68    69    58    59  
   59    62    79  
    0  
   61    63    64    70    71    72    73  
   63    64    70  
   65    66    74    75    79    80    77    67    68    69  
   64    70    71    72    73  
   70    71    72    73  
   66    74    75    76    79    77    78    67    68    69  
   74    75    77    67  
   68    69    74    79  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
   75    76    79    80    77    78  
   76    79    80    81    77    78  
   79    80    77  
   78    79  
    0  
   80    81  
   81  
    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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.005000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   317.000  1.522
   46    47   570.000  1.229
   46    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.510
   51    52   549.000  1.340
   51    67   317.000  1.510
   52    53   317.000  1.510
   52    55   465.000  1.376
   53    54   340.000  1.090
   53    57   317.000  1.510
   53    58   320.000  1.410
   57    62   469.000  1.400
   57    79   469.000  1.400
   62    65   469.000  1.400
   62    67   317.000  1.510
   65    66   367.000  1.080
   65    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   450.000  1.364
   80    81   553.000  0.945
   77    78   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   58    59   553.000  0.945
   55    56   745.000  1.250
   55    60   465.000  1.376
   60    61   340.000  1.080
   60    63   320.000  1.462
   63    64   570.000  1.229
   63    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    41    75.00000  107.99600
   38    33    34    80.00000  120.40000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    75.00000  107.99600
   43    41    42    80.00000  120.40000
   43    46    47    80.00000  120.40000
   43    46    48    70.00000  116.00000
   45    43    44    33.00000  107.80000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    70.00000  109.06800
   48    46    47    80.00000  120.40000
   48    51    52    70.00000  124.00000
   48    51    67    65.00000  117.92700
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    70.00000  124.00000
   51    52    55    70.00000  117.34000
   51    67    62    70.00000  112.99600
   51    67    68    35.00000  109.50000
   51    67    69    35.00000  109.50000
   52    53    54    35.00000  109.50000
   52    53    57    70.00000  112.99600
   52    53    58    90.00000  110.39200
   52    55    56    65.00000  137.10300
   52    55    60    70.00000  123.01800
   53    57    62    70.00000  120.00000
   53    57    79    70.00000  120.00000
   53    58    59    55.00000  108.50000
   57    53    54    35.00000  109.50000
   57    62    65    63.00000  120.00000
   57    62    67    70.00000  120.00000
   57    79    75    63.00000  120.00000
   57    79    80    70.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    74    63.00000  120.00000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   65    74    75    63.00000  120.00000
   65    74    77    70.00000  120.00000
   74    65    66    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    70.00000  120.00000
   79    57    62    63.00000  120.00000
   79    75    76    35.00000  120.00000
   79    80    81    35.00000  113.00000
   77    74    75    70.00000  120.00000
   67    51    52    70.00000  124.00000
   67    62    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    57    90.00000  112.51600
   55    52    53    70.00000  124.00000
   55    60    61    40.00000  120.50800
   55    60    63    60.00000  125.92000
   60    55    56    65.00000  137.10300
   60    63    64    80.00000  123.72100
   60    63    70    65.00000  118.62400
   63    60    61    40.00000  117.72500
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    73    35.00000  109.50000
   70    63    64    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    41   0.00000  1.0 1.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.30150 -1.0 2.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41    43    46   0.65300  1.0 1.0
   38    41    43    46  -0.03850 -1.0 2.0
   38    41    43    46   0.33900  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47   0.30150 -1.0 2.0
   41    43    46    48   0.65300  1.0 1.0
   41    43    46    48  -0.03850 -1.0 2.0
   41    43    46    48   0.33900  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    50   0.00000  1.0 1.0
   43    46    48    51   0.65300  1.0 1.0
   43    46    48    51  -0.03850 -1.0 2.0
   43    46    48    51   0.33900  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   45    43    46    47   0.00000  1.0 1.0
   45    43    46    48   0.00000  1.0 1.0
   46    48    51    52  -0.51250  1.0 1.0
   46    48    51    52  -0.88800 -1.0 2.0
   46    48    51    52   0.08850  1.0 3.0
   46    48    51    67   0.17250  1.0 1.0
   46    48    51    67  -0.04100 -1.0 2.0
   46    48    51    67  -0.33850  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.30150 -1.0 2.0
   48    51    52    53   7.00000 -1.0 2.0
   48    51    52    55   7.00000 -1.0 2.0
   48    51    67    62   0.09700  1.0 1.0
   48    51    67    62   0.15600 -1.0 2.0
   48    51    67    62  -0.50800  1.0 3.0
   48    51    67    68   0.34800  1.0 3.0
   48    51    67    69   0.34800  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    67   0.34800  1.0 3.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    67   0.34800  1.0 3.0
   51    52    53    54   0.00000  1.0 1.0
   51    52    53    57   1.44450  1.0 1.0
   51    52    53    57   0.06600 -1.0 2.0
   51    52    53    57   0.29250  1.0 3.0
   51    52    53    58   0.67800  1.0 1.0
   51    52    53    58   0.47050 -1.0 2.0
   51    52    53    58  -0.62500  1.0 3.0
   51    52    55    56   7.00000 -1.0 2.0
   51    52    55    60   7.00000 -1.0 2.0
   52    51    67    62   1.44450  1.0 1.0
   52    51    67    62   0.06600 -1.0 2.0
   52    51    67    62   0.29250  1.0 3.0
   52    51    67    68   0.00000  1.0 1.0
   52    51    67    69   0.00000  1.0 1.0
   52    53   -57    62   0.18050 -1.0 2.0
   52    53    57    79   0.18050 -1.0 2.0
   52    53    58    59  -0.07800  1.0 1.0
   52    53    58    59  -0.21500 -1.0 2.0
   52    53    58    59  -0.03150  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    63   7.00000 -1.0 2.0
   53    52    55    56   7.00000 -1.0 2.0
   53    52    55    60   7.00000 -1.0 2.0
   53    57    62    65   3.62500 -1.0 2.0
   53    57    62    67   3.62500 -1.0 2.0
   53    57    79    75   3.62500 -1.0 2.0
   53    57    79    80   3.62500 -1.0 2.0
   54    53    57    62   0.00000  1.0 1.0
   54    53    57    79   0.00000  1.0 1.0
   54    53    58    59   0.19450  1.0 3.0
   57    53    58    59   0.31900  1.0 1.0
   57    53    58    59  -0.11800 -1.0 2.0
   57    53    58    59   0.38750  1.0 3.0
   57    62    65    66   3.62500 -1.0 2.0
   57    62    65    74   3.62500 -1.0 2.0
   57    62   -67    51   0.18050 -1.0 2.0
   57    62    67    68   0.00000  1.0 1.0
   57    62    67    69   0.00000  1.0 1.0
   57    79    80    81   0.84100 -1.0 2.0
   62    57    79    75   3.62500 -1.0 2.0
   62    57    79    80   3.62500 -1.0 2.0
   62    65   -74    75   3.62500 -1.0 2.0
   62    65    74    77   3.62500 -1.0 2.0
   65    62    67    51   0.18050 -1.0 2.0
   65    62    67    68   0.00000  1.0 1.0
   65    62    67    69   0.00000  1.0 1.0
   65    74    75    76   3.62500 -1.0 2.0
   65    74    75    79   3.62500 -1.0 2.0
   65    74    77    78   0.84100 -1.0 2.0
   66    65    74    75   3.62500 -1.0 2.0
   66    65    74    77   3.62500 -1.0 2.0
   74    75   -79    57   3.62500 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   75    79    80    81   0.84100 -1.0 2.0
   76    75    79    57   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   79    57   -62    65   3.62500 -1.0 2.0
   79    57    62    67   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   67    51   -52    53   7.00000 -1.0 2.0
   67    51    52    55   7.00000 -1.0 2.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    74   3.62500 -1.0 2.0
   58    53    57    62   0.14300 -1.0 2.0
   58    53    57    62   0.00300  1.0 3.0
   58    53    57    79   0.14300 -1.0 2.0
   58    53    57    79   0.00300  1.0 3.0
   55    52    53    54   0.00000  1.0 1.0
   55    52    53    57   1.44450  1.0 1.0
   55    52    53    57   0.06600 -1.0 2.0
   55    52    53    57   0.29250  1.0 3.0
   55    52    53    58   0.67800  1.0 1.0
   55    52    53    58   0.47050 -1.0 2.0
   55    52    53    58  -0.62500  1.0 3.0
   55    60    63    64   1.00000 -1.0 2.0
   55    60    63    70  -0.33500  1.0 1.0
   55    60    63    70   1.06600 -1.0 2.0
   55    60    63    70  -0.14000  1.0 3.0
   56    55    60    61   7.00000 -1.0 2.0
   56    55    60    63   7.00000 -1.0 2.0
   60    63    70    71   0.00000  1.0 1.0
   60    63    70    72   0.00000  1.0 1.0
   60    63    70    73   0.00000  1.0 1.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    70   0.04550  1.0 1.0
   61    60    63    70   0.83000 -1.0 2.0
   61    60    63    70  -0.04000  1.0 3.0
   64    63    70    71   0.00000  1.0 1.0
   64    63    70    72   0.00000  1.0 1.0
   64    63    70    73   0.00000  1.0 1.0
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
   29    38    33    34  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   43    48    46    47  10.50000 -1.0 2.0
   48    67    51    52   1.10000 -1.0 2.0
   55    53    52    51   1.10000 -1.0 2.0
   62    79    57    53   4.00000 -1.0 2.0
   65    67    62    57   4.00000 -1.0 2.0
   74    66    65    62   1.10000 -1.0 2.0
   75    77    74    65   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   75    80    79    57   4.00000 -1.0 2.0
   52    56    55    60  15.00000 -1.0 2.0
   63    61    60    55  15.00000 -1.0 2.0
   60    70    63    64  10.50000 -1.0 2.0
END
