* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    143    210     410
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C19    36     1.80605    98.11764   -78.20712
   34    33 S   HC   _H22    37     1.09542   107.26774    59.87067
   35    33 S   HC   _H23    38     1.09411   108.45236   -56.04283
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C18    39     1.53071   112.70078   179.96044
   40    39 S   HC   _H20    40     1.09751   110.12149   175.94696
   41    39 S   HC   _H21    41     1.09870   108.64316    61.05957
   42    39 S   C5A  _C6_    42     1.50895   114.40512   -59.08233
   43    42 S   C5B  _C5_    43     1.37466   129.94857   -79.86746
   44    43 S   N5P  _N4_    44     1.37699   112.25915  -179.90513
   45    43 S   CT   _C4_    77     1.47073   129.32521     0.13706
   46    45 S   HC   _H4_    78     1.10453   111.39321    89.98183
   47    45 S   HC   _H5_    79     1.10568   112.27311  -149.48337
   48    45 S   HC   _H6_    80     1.10571   112.22181   -30.54178
   49    44 S   CRP  _C7_    45     1.31591   115.11166    -0.03426
   50    44 S   CT   _C8_    60     1.44591   122.87671  -179.93744
   51    50 S   HC   _H7_    61     1.09667   109.45153   135.03365
   52    50 S   HC   _H8_    62     1.09628   109.47325    18.69672
   53    42 S   SA   _S1_    46     1.72094   120.11171   100.21752
   54    49 S   CT   _C14    47     1.47167   126.20480  -179.94405
   55    54 S   HC   _H3_    48     1.10927   111.66220    -0.00000
   56    50 S   CA   _C9_    63     1.50482   109.61566  -103.17377
   57    54 S   CT   _C15    49     1.55505   115.11372  -123.55238
   58    57 S   HC   _H15    50     1.09784   110.13398   -79.98514
   59    57 S   HC   _H16    51     1.09733   109.18447    34.61759
   60    54 S   OH   _O35    58     1.44202   109.54817   115.40019
   61    60 S   HO   _H19    59     0.96486   105.60112   179.94766
   62    56 S   CA   _C10    64     1.37994   120.79127    14.04226
   63    62 S   HA   _H9_    65     1.08502   121.38556    -0.03956
   64    57 S   CT   _C16    52     1.52681   113.74255   156.41844
   65    64 S   HC   _H17    53     1.09763   108.62096   -56.79102
   66    64 S   HC   _H18    54     1.09656   110.16713    59.23414
   67    62 S   NB   _N5_    66     1.34877   123.73638   179.94766
   68    64 S   CO3  _C17    55     1.53101   115.27654  -176.16682
   69    68 S   O2Z  _O34    56     1.26485   114.49018  -179.52687
   70    68 S   O2Z  _O33    57     1.26195   116.04792     1.36430
   71    67 S   CQ   _C11    67     1.34605   114.98109    -0.01978
   72    71 S   NB   _N6_    68     1.34732   126.95963     0.07913
   73    71 S   CT   _C13    73     1.49164   116.55465   179.97202
   74    73 S   HC   _H12    74     1.09638   110.38027    90.05033
   75    73 S   HC   _H13    75     1.09772   111.32883  -149.43773
   76    73 S   HC   _H14    76     1.09786   111.28543   -30.47409
   77    56 S   CA   _C12    69     1.38044   123.56253  -166.02067
   78    77 S   NE   _N7_    70     1.41606   118.20607     0.06256
   79    78 S   H    _H10    71     0.99749   118.89433    -3.13900
   80    78 S   H    _H11    72     0.99671   118.87116  -176.90497
  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   7   5   4   3
   8   5   4   2   1   1   8   4   3  10  12  16   6   2   1   1
  13  11   4   3   4  10   6   9  10   6   5   2   1   7   3   5
   4   3   7   2   1   1   7   8   4   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    53  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    49    53    45  
   41    42    43    53  
   42    43    53  
   43    44    49    53    54    50    45    46    47    48  
   44    49    53    54    50    51    52    56    45    46    47    48  
   49    53    54    55    57    60    50    51    52    56    62    77    45    46    47    48  
   46    47    48    49    50    53  
   47    48  
   48  
    0  
   53    54    55    57    58    59    64    60    61    50    51    52    56  
   51    52    56    62    63    67    72    77    78    53    54  
   52    56    62    77  
   56    62    77  
   54    55    57    60  
   55    57    58    59    64    65    66    68    60    61  
   57    58    59    64    60    61  
   62    63    67    71    72    77    78    79    80  
   58    59    64    65    66    68    69    70    60    61  
   59    64    65    66    68    60  
   64    65    66    68    60  
   61    64  
    0  
   63    67    71    72    77    78    73  
   67    71    77  
   65    66    68    69    70  
   66    68    69    70  
   68    69    70  
   71    72    77    73    74    75    76  
   69    70  
   70  
    0  
   72    77    78    73    74    75    76  
   77    78    79    80    73    74    75    76  
   74    75    76    77  
   75    76  
   76  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.017400   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.028100   2.0020   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700   0.193300   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.068800   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5600   0.3950   0.315900   2.0080   1.7800   0.025682759  -1.666211680
   54   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   73   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   295.000  1.489
   42    43   520.000  1.370
   42    53   265.000  1.745
   43    44   420.000  1.386
   43    45   295.000  1.494
   44    49   520.000  1.338
   44    50   300.000  1.456
   49    53   260.000  1.741
   49    54   290.000  1.488
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.522
   68    69   656.000  1.250
   68    70   656.000  1.250
   60    61   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.510
   56    62   469.000  1.400
   56    77   469.000  1.400
   62    63   367.000  1.080
   62    67   483.000  1.339
   67    71   502.000  1.324
   71    72   502.000  1.324
   71    73   317.000  1.510
   72    77   483.000  1.339
   77    78   481.000  1.340
   78    79   434.000  1.010
   78    80   434.000  1.010
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  113.44400
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    55.00000  130.44200
   39    42    53    65.00000  123.52500
   41    39    40    33.00000  107.80000
   42    39    40    45.00000  110.47400
   42    39    41    45.00000  110.47400
   42    43    44    85.00000  109.61400
   42    43    45    55.00000  127.77900
   42    53    49   110.00000   90.05000
   43    44    49    80.00000  112.70000
   43    44    50    65.00000  125.09000
   43    45    46    45.00000  111.11700
   43    45    47    45.00000  111.11700
   43    45    48    45.00000  111.11700
   44    49    53    85.00000  110.81000
   44    49    54    60.00000  125.91000
   44    50    51    50.00000  107.70000
   44    50    52    50.00000  107.70000
   44    50    56    75.00000  110.34000
   49    54    55    45.00000  106.72000
   49    54    57    70.00000  112.17500
   49    54    60   105.00000   99.42000
   53    42    43    80.00000  111.29200
   54    49    53    60.00000  130.00000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    64    58.35000  112.70000
   54    60    61    55.00000  108.50000
   57    54    55    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    68    70.00000  109.69300
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    68    69    70.00000  117.00000
   64    68    70    70.00000  117.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   70    68    69    80.00000  126.00000
   60    54    55    35.00000  109.50000
   60    54    57    50.00000  109.50000
   50    44    49    65.00000  121.70000
   50    56    62    70.00000  120.00000
   50    56    77    70.00000  120.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    62    63    35.00000  120.00000
   56    62    67    70.00000  124.00000
   56    77    72    70.00000  124.00000
   56    77    78    70.00000  120.10000
   62    67    71    70.00000  118.60000
   67    62    63    35.00000  116.00000
   67    71    72    70.00000  129.10000
   67    71    73    75.00000  115.74700
   71    72    77    70.00000  118.60000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   72    77    78    80.00000  117.25000
   77    56    62    63.00000  120.00000
   77    78    79    35.00000  113.50000
   77    78    80    35.00000  113.50000
   80    78    79    35.00000  109.00000
   73    71    72    75.00000  115.74700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   45    43    44    60.00000  130.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.04150 -1.0 2.0
   33    39    42    53  -1.00500  1.0 1.0
   33    39    42    53  -0.91300 -1.0 2.0
   33    39    42    53   0.11400  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.43200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.43200  1.0 3.0
   39    42    43    44   3.62500 -1.0 2.0
   39    42    43    45   3.62500 -1.0 2.0
   39    42    53    49   3.62500 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    53   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    53   0.00000  1.0 1.0
   42    43   -44    49   3.62500 -1.0 2.0
   42    43    44    50   3.62500 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43    45    48   0.00000  1.0 1.0
   43    42   -53    49   3.62500 -1.0 2.0
   43    44   -49    53   3.62500 -1.0 2.0
   43    44    49    54   3.62500 -1.0 2.0
   43    44    50    51   0.00000  1.0 1.0
   43    44    50    52   0.00000  1.0 1.0
   43    44    50    56   0.68100  1.0 1.0
   43    44    50    56   0.03350 -1.0 2.0
   43    44    50    56   0.36200  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49   -53    42   3.62500 -1.0 2.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    57   0.39850  1.0 1.0
   44    49    54    57   0.06450 -1.0 2.0
   44    49    54    57   0.32400  1.0 3.0
   44    49    54    60   0.04300 -1.0 2.0
   44    50    56    62   0.04300 -1.0 2.0
   44    50    56    77   0.04300 -1.0 2.0
   49    44    50    51   0.00000  1.0 1.0
   49    44    50    52   0.00000  1.0 1.0
   49    44    50    56   0.68100  1.0 1.0
   49    44    50    56   0.03350 -1.0 2.0
   49    44    50    56   0.36200  1.0 3.0
   49    54    57    58   0.43200  1.0 3.0
   49    54    57    59   0.43200  1.0 3.0
   49    54    57    64  -0.03700  1.0 1.0
   49    54    57    64   0.37200 -1.0 2.0
   49    54    57    64  -0.47300  1.0 3.0
   49    54    60    61   0.31900  1.0 1.0
   49    54    60    61  -0.11800 -1.0 2.0
   49    54    60    61   0.38750  1.0 3.0
   53    42   -43    44   3.62500 -1.0 2.0
   53    42    43    45   3.62500 -1.0 2.0
   53    49    54    55   0.00000  1.0 1.0
   53    49    54    57  -1.00500  1.0 1.0
   53    49    54    57  -0.91300 -1.0 2.0
   53    49    54    57   0.11400  1.0 3.0
   53    49    54    60   0.04300 -1.0 2.0
   54    49    53    42   3.62500 -1.0 2.0
   54    57    64    65   0.15000  1.0 3.0
   54    57    64    66   0.15000  1.0 3.0
   54    57    64    68  -1.63150  1.0 1.0
   54    57    64    68  -0.43550 -1.0 2.0
   54    57    64    68   0.24500  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    64   0.15000  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   57    54    60    61  -0.11600  1.0 1.0
   57    54    60    61  -0.09450 -1.0 2.0
   57    54    60    61   0.21250  1.0 3.0
   57    64    68    69   0.41150 -1.0 2.0
   57    64    68    70   0.41150 -1.0 2.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    68  -0.11250  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    68  -0.11250  1.0 3.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   66    64    68    69   0.00000  1.0 1.0
   66    64    68    70   0.00000  1.0 1.0
   60    54    57    58   0.23400  1.0 3.0
   60    54    57    59   0.23400  1.0 3.0
   60    54    57    64   0.86500  1.0 1.0
   60    54    57    64  -0.17500 -1.0 2.0
   60    54    57    64   0.20800  1.0 3.0
   50    44    49    53   3.62500 -1.0 2.0
   50    44    49    54   3.62500 -1.0 2.0
   50    56    62    63   3.62500 -1.0 2.0
   50    56    62    67   3.62500 -1.0 2.0
   50    56    77    72   3.62500 -1.0 2.0
   50    56    77    78   3.62500 -1.0 2.0
   51    50    56    62   0.00000  1.0 1.0
   51    50    56    77   0.00000  1.0 1.0
   52    50    56    62   0.00000  1.0 1.0
   52    50    56    77   0.00000  1.0 1.0
   56    62    67    71   3.62500 -1.0 2.0
   56    77    78    79   1.00000 -1.0 2.0
   56    77    78    80   1.00000 -1.0 2.0
   62    56    77    72   3.62500 -1.0 2.0
   62    56    77    78   3.62500 -1.0 2.0
   62    67   -71    72   3.62500 -1.0 2.0
   62    67    71    73   3.62500 -1.0 2.0
   63    62    67    71   3.62500 -1.0 2.0
   67    71    72    77   3.62500 -1.0 2.0
   67    71    73    74   0.00000  1.0 1.0
   67    71    73    75   0.00000  1.0 1.0
   67    71    73    76   0.00000  1.0 1.0
   71    72   -77    56   3.62500 -1.0 2.0
   71    72    77    78   3.62500 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.00000  1.0 1.0
   72    77    78    79   1.75000 -1.0 2.0
   72    77    78    80   1.75000 -1.0 2.0
   77    56    62    63   3.62500 -1.0 2.0
   77    56   -62    67   3.62500 -1.0 2.0
   73    71    72    77   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    43    44    50   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   43    53    42    39   4.00000 -1.0 2.0
   45    44    43    42   4.00000 -1.0 2.0
   49    50    44    43   4.00000 -1.0 2.0
   54    53    49    44   4.00000 -1.0 2.0
   69    64    68    70  10.50000 -1.0 2.0
   62    77    56    50   4.00000 -1.0 2.0
   67    63    62    56   1.10000 -1.0 2.0
   73    72    71    67   4.00000 -1.0 2.0
   72    78    77    56   4.00000 -1.0 2.0
   80    77    78    79   1.00000 -1.0 2.0
END
