* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    140    221     411
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087    93.08207   -63.93357
    3     1 S   H    _H1_     3     1.02047    87.36984    44.66821
    4     1 S   H    _H2_     4     1.02147    33.17389   175.83223
    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     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   _C5_    36     1.85637   100.98481   -79.97409
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C6_    37     1.55917   109.58296  -180.00000
   38    37 S   HC   _H6_    38     1.10392   108.96912  -162.48732
   39    37 S   HC   _H7_    39     1.10600   109.45071    83.43369
   40    33 S   OH   _O38    74     1.42659   111.32667    60.06106
   41    40 S   HO   _H19    75     0.97114   106.71484  -179.36665
   42    33 S   S    _S1_    76     1.85889   107.49928   -60.99705
   43    37 S   CA   _C7_    40     1.49567   116.54673   -41.70155
   44    42 S   CT   _C4_    77     1.81129   100.94397  -178.99517
   45    44 S   HC   _H3_    78     1.09258   109.93093   179.98022
   46    44 S   HC   _H4_    79     1.09316   109.85457    60.03526
   47    44 S   HC   _H5_    80     1.09211   109.87531   -60.01230
   48    43 S   CA   _C8_    41     1.39486   118.45999   -76.96166
   49    48 S   HA   _H8_    42     1.08917   119.39791    -0.05935
   50    48 S   CA   _C9_    43     1.40482   120.71012  -180.00000
   51    50 S   CA   _C10    44     1.40529   121.37530  -180.00000
   52    51 S   HA   _H9_    45     1.08939   119.33685    -0.07402
   53    50 S   CA   _C18    56     1.41158   119.30188    -0.03956
   54    51 S   CA   _C11    46     1.40530   121.35583   179.96044
   55    53 S   CA   _C19    57     1.40464   119.25785     0.02798
   56    55 S   OM   _O35    58     1.28878   123.05687  -180.00000
   57    54 S   CA   _C12    47     1.40464   121.42090   180.00000
   58    57 S   HA   _H10    48     1.08785   120.50272     0.00000
   59    43 S   CA   _C20    59     1.39109   121.51780   103.05172
   60    57 S   CA   _C13    49     1.39507   120.72118  -180.00000
   61    60 S   HA   _H11    50     1.08614   119.92779  -179.91607
   62    59 S   CO4  _C21    60     1.46833   117.49913    -0.08393
   63    62 S   O    _O33    61     1.24020   120.23114   -89.19621
   64    60 S   CA   _C14    51     1.39047   120.01476     0.00000
   65    64 S   HA   _H12    52     1.08740   119.51073  -179.94065
   66    62 S   CT   _C22    62     1.52860   119.53540    90.03749
   67    66 S   HC   _H13    63     1.09533   108.90248    90.00503
   68    66 S   HC   _H14    64     1.09494   107.69846   -28.12700
   69    64 S   CA   _C15    53     1.39502   120.02115    -0.02798
   70    66 S   C    _C23    65     1.51388   114.85456  -151.15476
   71    70 S   O    _O34    66     1.22949   122.59208    29.35120
   72    54 S   CA   _C16    54     1.41221   119.29396     0.00000
   73    70 S   N    _N4_    67     1.37624   113.74025  -150.44494
   74    73 S   H    _H15    68     1.01415   118.59911     0.07913
   75    73 S   H    _H16    69     1.01497   122.73469  -180.00000
   76    69 S   OH   _O37    72     1.36608   115.78049  -180.00000
   77    76 S   HO   _H18    73     0.96901   109.96015     0.08156
   78    72 S   CA   _C17    55     1.40439   119.34142    -0.02798
   79    78 S   OH   _O36    70     1.37158   117.57881   179.94766
   80    79 S   HO   _H17    71     0.96696   109.68695  -179.94405
  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
  13   2   1   1  13   6   5   4   1   5  11   3   2   1   1  10
   4  11  10   4  10  10   8   3   8   4   7   6   3   7   4   6
   3   7   4   3   5   4   3   5   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    48    59    40    41    42    44    45    46    47  
   35    36  
   36  
    0  
   38    39    43    48    49    50    55    59    62    40    41    42    44  
   39    43    48    59    40    42  
   43    48    59    40    42  
   41    42    44    43  
   42  
   44    45    46    47    43  
   48    49    50    51    53    55    56    59    62    63    66  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    54    78    53    55    59    62  
   50    51    53    59  
   51    52    54    57    72    78    53    55    56    59    79  
   52    54    57    58    60    69    72    78    53    55  
   54    57    72    53  
   55    56    59    62    79    80    54    69    72    78  
   57    58    60    61    64    69    72    78    79    76  
   56    59    62    63    66    79    72    78  
   59    62    78  
   58    60    61    64    65    69    72    78  
   60    61    64    72  
   62    63    66    67    68    70    78  
   61    64    65    69    72    76  
   64    65    69  
   63    66    67    68    70    71    73  
   66    67    68    70  
   65    69    72    78    76    77  
   69    72    76  
   67    68    70    71    73    74    75  
   68    70    71    73  
   70    71    73  
   72    78    79    76    77  
   71    73    74    75  
   73    74    75  
   78    79    80    76    77  
   74    75  
   75  
    0  
   77    78  
    0  
   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   0.600000   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  -0.005000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   74   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   75   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   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    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    40   320.000  1.410
   33    42   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.510
   43    48   469.000  1.400
   43    59   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   469.000  1.400
   50    53   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    57   469.000  1.400
   54    72   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    72   469.000  1.400
   69    76   450.000  1.364
   72    78   469.000  1.400
   78    53   469.000  1.400
   78    79   450.000  1.364
   53    55   469.000  1.400
   55    56   450.000  1.364
   55    59   469.000  1.400
   59    62   310.000  1.470
   62    63   570.000  1.229
   62    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   317.000  1.522
   70    71   570.000  1.229
   70    73   490.000  1.335
   73    74   434.000  1.010
   73    75   434.000  1.010
   79    80   553.000  0.945
   76    77   553.000  0.945
   40    41   553.000  0.945
   42    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    40    85.00000  114.68000
   29    33    42    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    70.00000  112.17500
   33    40    41    55.00000  108.50000
   33    42    44    62.00000   98.90000
   37    43    48    70.00000  120.00000
   37    43    59    70.00000  120.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    48    49    35.00000  120.00000
   43    48    50    63.00000  120.00000
   43    59    55    63.00000  120.00000
   43    59    62    60.00000  119.52600
   48    50    51    63.00000  120.00000
   48    50    53    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    54    63.00000  120.00000
   50    53    78    63.00000  120.00000
   50    53    55    63.00000  120.00000
   51    54    57    63.00000  120.00000
   51    54    72    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    60    63.00000  120.00000
   54    72    69    63.00000  120.00000
   54    72    78    63.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    64    63.00000  120.00000
   60    57    58    35.00000  120.00000
   60    64    65    35.00000  120.00000
   60    64    69    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    69    72    63.00000  120.00000
   64    69    76    70.00000  120.00000
   69    64    65    35.00000  120.00000
   69    72    78    63.00000  120.00000
   69    76    77    35.00000  113.00000
   72    54    57    63.00000  120.00000
   72    78    53    63.00000  120.00000
   72    78    79    70.00000  120.00000
   78    53    55    63.00000  120.00000
   78    79    80    35.00000  113.00000
   53    50    51    63.00000  120.00000
   53    55    56    70.00000  120.00000
   53    55    59    63.00000  120.00000
   55    59    62    60.00000  119.52600
   59    43    48    63.00000  120.00000
   59    55    56    70.00000  120.00000
   59    62    63    75.00000  123.78400
   59    62    66    65.00000  115.47100
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    70    70.00000  107.85200
   66    62    63    80.00000  120.40000
   66    70    71    80.00000  120.40000
   66    70    73    70.00000  116.60000
   68    66    67    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    35.00000  109.50000
   70    73    74    35.00000  119.80000
   70    73    75    35.00000  119.80000
   73    70    71    80.00000  122.90000
   75    73    74    35.00000  120.00000
   79    78    53    70.00000  120.00000
   76    69    72    70.00000  120.00000
   40    33    37    50.00000  109.50000
   42    33    37    75.00000  111.63000
   42    33    40    85.00000  114.68000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   24    29    33    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  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    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   29    33    42    44   0.08500  1.0 1.0
   29    33    42    44  -0.53150 -1.0 2.0
   29    33    42    44   0.48050  1.0 3.0
   33    37    43    48   0.04150 -1.0 2.0
   33    37    43    59   0.04150 -1.0 2.0
   33    42    44    45   0.32350  1.0 3.0
   33    42    44    46   0.32350  1.0 3.0
   33    42    44    47   0.32350  1.0 3.0
   37    33    40    41  -0.11600  1.0 1.0
   37    33    40    41  -0.09450 -1.0 2.0
   37    33    40    41   0.21250  1.0 3.0
   37    33    42    44   0.01700  1.0 1.0
   37    33    42    44  -0.23550 -1.0 2.0
   37    33    42    44   0.21350  1.0 3.0
   37    43    48    49   3.62500 -1.0 2.0
   37    43    48    50   3.62500 -1.0 2.0
   37    43    59    55   3.62500 -1.0 2.0
   37    43    59    62   3.62500 -1.0 2.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    43    59   0.00000  1.0 1.0
   39    37    43    48   0.00000  1.0 1.0
   39    37    43    59   0.00000  1.0 1.0
   43    48    50    51   3.62500 -1.0 2.0
   43    48    50    53   3.62500 -1.0 2.0
   43    59    62    63   1.05000 -1.0 2.0
   43    59    62    66   2.26350  1.0 1.0
   43    59    62    66   0.76750 -1.0 2.0
   43    59    62    66   0.22500  1.0 3.0
   48    43    59    55   3.62500 -1.0 2.0
   48    43    59    62   3.62500 -1.0 2.0
   48    50    51    52   3.62500 -1.0 2.0
   48    50    51    54   3.62500 -1.0 2.0
   48    50    53    78   3.62500 -1.0 2.0
   48    50   -53    55   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    53   3.62500 -1.0 2.0
   50    51    54    57   3.62500 -1.0 2.0
   50    51    54    72   3.62500 -1.0 2.0
   50    53    55    56   3.62500 -1.0 2.0
   50    53    55    59   3.62500 -1.0 2.0
   51    50    53    78   3.62500 -1.0 2.0
   51    50    53    55   3.62500 -1.0 2.0
   51    54    57    58   3.62500 -1.0 2.0
   51    54    57    60   3.62500 -1.0 2.0
   51    54    72    69   3.62500 -1.0 2.0
   51    54   -72    78   3.62500 -1.0 2.0
   52    51    54    57   3.62500 -1.0 2.0
   52    51    54    72   3.62500 -1.0 2.0
   54    57    60    61   3.62500 -1.0 2.0
   54    57    60    64   3.62500 -1.0 2.0
   54    72    78    53   3.62500 -1.0 2.0
   54    72    78    79   3.62500 -1.0 2.0
   57    54    72    69   3.62500 -1.0 2.0
   57    54    72    78   3.62500 -1.0 2.0
   57    60    64    65   3.62500 -1.0 2.0
   57    60   -64    69   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    64   3.62500 -1.0 2.0
   60    64    69    72   3.62500 -1.0 2.0
   60    64    69    76   3.62500 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   64    69   -72    54   3.62500 -1.0 2.0
   64    69    72    78   3.62500 -1.0 2.0
   64    69    76    77   0.84100 -1.0 2.0
   65    64    69    72   3.62500 -1.0 2.0
   65    64    69    76   3.62500 -1.0 2.0
   69    72    78    53   3.62500 -1.0 2.0
   69    72    78    79   3.62500 -1.0 2.0
   72    54    57    58   3.62500 -1.0 2.0
   72    54   -57    60   3.62500 -1.0 2.0
   72    69    76    77   0.84100 -1.0 2.0
   72    78   -53    50   3.62500 -1.0 2.0
   72    78    53    55   3.62500 -1.0 2.0
   72    78    79    80   0.84100 -1.0 2.0
   78    53    55    56   3.62500 -1.0 2.0
   78    53    55    59   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50   -51    54   3.62500 -1.0 2.0
   53    78    79    80   0.84100 -1.0 2.0
   53    55   -59    43   3.62500 -1.0 2.0
   53    55    59    62   3.62500 -1.0 2.0
   55    59    62    63   1.05000 -1.0 2.0
   55    59    62    66   2.26350  1.0 1.0
   55    59    62    66   0.76750 -1.0 2.0
   55    59    62    66   0.22500  1.0 3.0
   56    55    59    43   3.62500 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   59    43    48    49   3.62500 -1.0 2.0
   59    43   -48    50   3.62500 -1.0 2.0
   59    62    66    67   0.00000  1.0 1.0
   59    62    66    68   0.00000  1.0 1.0
   59    62    66    70   0.65300  1.0 1.0
   59    62    66    70  -0.03850 -1.0 2.0
   59    62    66    70   0.33900  1.0 3.0
   62    66    70    71   0.30150 -1.0 2.0
   62    66    70    73   0.00000  1.0 1.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   63    62    66    70   0.30150 -1.0 2.0
   66    70    73    74   2.45000 -1.0 2.0
   66    70    73    75   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   68    66    70    71   0.00000  1.0 1.0
   68    66    70    73   0.00000  1.0 1.0
   71    70    73    74   2.45000 -1.0 2.0
   71    70    73    75   2.45000 -1.0 2.0
   79    78    53    50   3.62500 -1.0 2.0
   79    78    53    55   3.62500 -1.0 2.0
   76    69    72    54   3.62500 -1.0 2.0
   76    69    72    78   3.62500 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    43   1.13150  1.0 1.0
   40    33    37    43  -1.01400 -1.0 2.0
   40    33    42    44   0.13850  1.0 1.0
   40    33    42    44  -1.34450 -1.0 2.0
   40    33    42    44   0.57400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    43   0.56750  1.0 1.0
   42    33    37    43  -0.07550 -1.0 2.0
   42    33    37    43   0.20000  1.0 3.0
   42    33    40    41   0.35600  1.0 1.0
   42    33    40    41  -0.10750 -1.0 2.0
   42    33    40    41  -0.54400  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
   48    59    43    37   4.00000 -1.0 2.0
   50    49    48    43   1.10000 -1.0 2.0
   51    53    50    48   4.00000 -1.0 2.0
   54    52    51    50   1.10000 -1.0 2.0
   57    72    54    51   4.00000 -1.0 2.0
   60    58    57    54   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   69    65    64    60   1.10000 -1.0 2.0
   72    76    69    64   4.00000 -1.0 2.0
   69    78    72    54   4.00000 -1.0 2.0
   53    79    78    72   4.00000 -1.0 2.0
   78    55    53    50   4.00000 -1.0 2.0
   59    56    55    53   4.00000 -1.0 2.0
   55    62    59    43   4.00000 -1.0 2.0
   59    66    62    63  10.50000 -1.0 2.0
   66    73    70    71  10.50000 -1.0 2.0
   75    70    73    74   1.00000 -1.0 2.0
END
