* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    154    246     456
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02054    67.54416    71.48327
    3     1 S   H    _H1_     3     1.02133    45.34295  -134.81037
    4     1 S   H    _H2_     4     1.02090   104.79765   -32.98503
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.84934    97.28123   161.83060
   34    33 S   HC   _H6_    37     1.09300   102.54391   -35.41710
   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   _C19    38     1.55482   109.49753    80.03984
   39    38 S   HC   _H5_    39     1.09697   108.67603  -168.10362
   40    38 S   CT   _C18    40     1.53741   114.03458    72.28134
   41    40 S   HC   _H23    41     1.09791   110.02313   -70.07616
   42    40 S   HC   _H24    42     1.09625   109.58088   174.82865
   43    38 S   OH   _O35    78     1.42598   111.68541   -52.01793
   44    43 S   HO   _H25    79     0.96970   106.52987  -173.05384
   45    40 S   CT   _C17    43     1.53195   112.26771    52.57137
   46    45 S   HC   _H21    44     1.09432   108.12619    71.78281
   47    45 S   HC   _H22    45     1.09617   109.84133  -172.24807
   48    45 S   CT   _C16    46     1.52439   109.40075   -51.25390
   49    48 S   HC   _H4_    47     1.09962   107.42458   -67.64444
   50    33 S   CT   _C12    48     1.56086   114.43966  -156.25007
   51    48 S   NP   _N4_    60     1.50167   116.66382   175.22792
   52    51 S   H    _H3_    61     1.02887   110.88260    70.19969
   53    50 S   CA   _C8_    49     1.55794   113.25794   167.85691
   54    51 S   CT   _C14    62     1.53489   102.89599  -172.45548
   55    54 S   HC   _H17    63     1.09435   106.72803   -93.62295
   56    54 S   HC   _H18    64     1.09376   109.39611   147.38857
   57    53 S   CA   _C9_    50     1.40418   122.46361   -33.50747
   58    57 S   HA   _H11    51     1.08565   121.09996     0.41117
   59    50 S   CT   _C13    65     1.54768   118.57853    43.23993
   60    59 S   HC   _H15    66     1.09700   113.14885    87.94711
   61    59 S   HC   _H16    67     1.09410   113.28790   -33.23448
   62    57 S   CA   _C10    52     1.39728   121.02576  -179.20944
   63    62 S   CA   _C5_    53     1.39095   120.33542     0.93920
   64    62 S   OS   _O34    73     1.36270   119.28136  -179.33559
   65    63 S   CA   _C6_    54     1.39116   119.80516     0.79574
   66    65 S   HA   _H10    55     1.08804   119.83993   178.95040
   67    63 S   OS   _O33    68     1.36232   120.68820  -179.90513
   68    64 S   CT   _C11    74     1.42559   117.01312    90.24867
   69    68 S   HC   _H12    75     1.09286   109.56093  -179.93147
   70    68 S   HC   _H13    76     1.09212   109.51237    59.22172
   71    68 S   HC   _H14    77     1.09283   109.00783   -60.36970
   72    53 S   CA   _C7_    56     1.41727   119.52605   150.25103
   73    67 S   CT   _C4_    69     1.42648   117.06549  -180.00000
   74    73 S   HC   _H7_    70     1.09226   109.49837  -180.00000
   75    73 S   HC   _H8_    71     1.09243   109.52173    59.17133
   76    73 S   HC   _H9_    72     1.09311   108.94243   -60.45811
   77    72 S   CT   _C15    57     1.50484   120.20393    -0.37639
   78    77 S   HC   _H19    58     1.09615   111.22151   128.45691
   79    77 S   HC   _H20    59     1.09619   110.82574  -111.04487
  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  10   5   4   3
  20   8   2   1   1  13   7  11   6   5   3   1  11   5   4  16
   7  15  13   8  15   9   5   4  10   4   4   1   1  11  11   6
   7   3   5   3   2   1   1   3   3   2   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    53    59    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    48    49    50    53    57    72    51    54    59    60    61    43    44  
   38    39    40    48    50    53    59    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    47    48    50    53    59    43    44  
   40    41    42    45    50    43    44  
   41    42    45    46    47    48    49    50    51    43    44  
   42    45    46    47    48    43  
   45    46    47    48    43  
   44    45    50  
    0  
   46    47    48    49    50    53    77    51    52    54    59  
   47    48    49    50    51  
   48    49    50    51  
   49    50    53    57    72    77    78    79    51    52    54    55    56    59    60    61  
   50    53    77    51    52    54    59  
   53    57    58    62    65    72    77    51    52    54    55    56    59    60    61  
   52    54    55    56    59    60    61    53    65    72    77    78    79  
   54    55    56    59    72    77    78    79  
   57    58    62    63    65    66    72    77    78    79    54    59    60    61    64  
   55    56    59    60    61    72    77    78    79  
   56    59    60    61    77  
   59    60    61    77  
   58    62    63    65    72    77    59    67    64    68  
   62    63    72    64  
   60    61    72    77  
   61  
    0  
   63    65    66    72    67    73    64    68    69    70    71  
   65    66    72    77    67    73    74    75    76    64    68  
   68    69    70    71    65    67  
   66    72    77    78    79    67    73  
   72    77    67  
   73    74    75    76    72  
   69    70    71  
   70    71  
   71  
    0  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   52   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   367.000  1.471
   50    53   317.000  1.510
   50    59   268.000  1.529
   53    57   469.000  1.400
   53    72   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   469.000  1.400
   63    67   450.000  1.364
   65    66   367.000  1.080
   65    72   469.000  1.400
   72    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    51   367.000  1.471
   51    52   434.000  1.010
   51    54   367.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   67    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    50    48    58.35000  112.70000
   33    50    53    70.00000  112.17500
   33    50    59    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    58.35000  112.70000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    51    80.00000  111.20000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    53    70.00000  112.17500
   48    50    59    58.35000  112.70000
   48    51    77    75.00000  113.01200
   48    51    52    35.00000  109.50000
   48    51    54    75.00000  113.01200
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    53    57    70.00000  120.00000
   50    53    72    70.00000  120.00000
   50    59    54    58.35000  112.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   53    57    58    35.00000  120.00000
   53    57    62    63.00000  120.00000
   53    72    65    63.00000  120.00000
   53    72    77    70.00000  120.00000
   57    62    63    63.00000  120.00000
   57    62    64    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    63    67    70.00000  120.00000
   62    64    68    75.00000  111.00000
   63    65    66    35.00000  120.00000
   63    65    72    63.00000  120.00000
   63    67    73    75.00000  111.00000
   65    72    77    70.00000  120.00000
   72    53    57    63.00000  120.00000
   72    65    66    35.00000  120.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    51    75.00000  110.83300
   77    51    52    35.00000  109.50000
   77    51    54    75.00000  113.01200
   79    77    78    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    80.00000  111.20000
   51    77    78    35.00000  109.50000
   51    77    79    35.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    59    80.00000  111.20000
   54    51    52    35.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    50    53    70.00000  112.17500
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   67    63    65    70.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    62    63    70.00000  120.00000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   29    33    50    59   0.44750  1.0 1.0
   29    33    50    59  -0.17800 -1.0 2.0
   29    33    50    59   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    50    53    57   0.04150 -1.0 2.0
   33    50    53    72   0.04150 -1.0 2.0
   33    50    59    54   0.56750  1.0 1.0
   33    50    59    54  -0.07550 -1.0 2.0
   33    50    59    54   0.20000  1.0 3.0
   33    50    59    60   0.15000  1.0 3.0
   33    50    59    61   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    53   0.43200  1.0 3.0
   34    33    50    59   0.15000  1.0 3.0
   38    33    50    48   0.56750  1.0 1.0
   38    33    50    48  -0.07550 -1.0 2.0
   38    33    50    48   0.20000  1.0 3.0
   38    33    50    53  -0.03700  1.0 1.0
   38    33    50    53   0.37200 -1.0 2.0
   38    33    50    53  -0.47300  1.0 3.0
   38    33    50    59   0.56750  1.0 1.0
   38    33    50    59  -0.07550 -1.0 2.0
   38    33    50    59   0.20000  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40   -45    48   0.56750  1.0 1.0
   38    40   -45    48  -0.07550 -1.0 2.0
   38    40   -45    48   0.20000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44  -0.11600  1.0 1.0
   40    38    43    44  -0.09450 -1.0 2.0
   40    38    43    44   0.21250  1.0 3.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    50   0.56750  1.0 1.0
   40    45    48    50  -0.07550 -1.0 2.0
   40    45    48    50   0.20000  1.0 3.0
   40    45    48    51   1.36600  1.0 1.0
   40    45    48    51  -0.11450 -1.0 2.0
   40    45    48    51   0.24250  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   45    48   -50    33   0.56750  1.0 1.0
   45    48   -50    33  -0.07550 -1.0 2.0
   45    48   -50    33   0.20000  1.0 3.0
   45    48    50    53  -0.03700  1.0 1.0
   45    48    50    53   0.37200 -1.0 2.0
   45    48    50    53  -0.47300  1.0 3.0
   45    48    50    59   0.56750  1.0 1.0
   45    48    50    59  -0.07550 -1.0 2.0
   45    48    50    59   0.20000  1.0 3.0
   45    48    51    77   0.47100  1.0 1.0
   45    48    51    52   0.17350  1.0 3.0
   45    48    51    54   0.47100  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.19200  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.19200  1.0 3.0
   48    50    53    57   0.04150 -1.0 2.0
   48    50    53    72   0.04150 -1.0 2.0
   48    50   -59    54   0.56750  1.0 1.0
   48    50   -59    54  -0.07550 -1.0 2.0
   48    50   -59    54   0.20000  1.0 3.0
   48    50    59    60   0.15000  1.0 3.0
   48    50    59    61   0.15000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51   -54    59   0.47100  1.0 1.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    53   0.43200  1.0 3.0
   49    48    50    59   0.15000  1.0 3.0
   49    48    51    77   0.15000  1.0 3.0
   49    48    51    52   0.13050  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    43   0.86500  1.0 1.0
   50    33    38    43  -0.17500 -1.0 2.0
   50    33    38    43   0.20800  1.0 3.0
   50    48    51    77   0.47100  1.0 1.0
   50    48    51    52   0.17350  1.0 3.0
   50    48   -51    54   0.47100  1.0 1.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    62   3.62500 -1.0 2.0
   50    53    72    65   3.62500 -1.0 2.0
   50    53   -72    77   3.62500 -1.0 2.0
   53    50    59    54  -0.03700  1.0 1.0
   53    50    59    54   0.37200 -1.0 2.0
   53    50    59    54  -0.47300  1.0 3.0
   53    50    59    60   0.43200  1.0 3.0
   53    50    59    61   0.43200  1.0 3.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57    62    64   3.62500 -1.0 2.0
   53    72    77    78   0.00000  1.0 1.0
   53    72    77    79   0.00000  1.0 1.0
   53    72    77    51  -0.46400 -1.0 2.0
   57    53    72    65   3.62500 -1.0 2.0
   57    53    72    77   3.62500 -1.0 2.0
   57    62   -63    65   3.62500 -1.0 2.0
   57    62    63    67   3.62500 -1.0 2.0
   57    62    64    68   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    64   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    72   3.62500 -1.0 2.0
   62    63    67    73   1.63200 -1.0 2.0
   62    64    68    69   0.08050  1.0 3.0
   62    64    68    70   0.08050  1.0 3.0
   62    64    68    71   0.08050  1.0 3.0
   63    62    64    68   1.63200 -1.0 2.0
   63    65   -72    53   3.62500 -1.0 2.0
   63    65    72    77   3.62500 -1.0 2.0
   63    67    73    74   0.08050  1.0 3.0
   63    67    73    75   0.08050  1.0 3.0
   63    67    73    76   0.08050  1.0 3.0
   65    63    67    73   1.63200 -1.0 2.0
   65    72    77    78   0.00000  1.0 1.0
   65    72    77    79   0.00000  1.0 1.0
   65    72    77    51  -0.46400 -1.0 2.0
   66    65    72    53   3.62500 -1.0 2.0
   66    65    72    77   3.62500 -1.0 2.0
   72    53    57    58   3.62500 -1.0 2.0
   72    53   -57    62   3.62500 -1.0 2.0
   72    77   -51    48   0.03550  1.0 1.0
   72    77   -51    48   0.09800 -1.0 2.0
   72    77    51    52   0.17350  1.0 3.0
   72    77    51    54   0.03550  1.0 1.0
   72    77    51    54   0.09800 -1.0 2.0
   77    51    54    55   0.15000  1.0 3.0
   77    51    54    56   0.15000  1.0 3.0
   77    51    54    59   0.47100  1.0 1.0
   78    77    51    48   0.15000  1.0 3.0
   78    77    51    52   0.13050  1.0 3.0
   78    77    51    54   0.15000  1.0 3.0
   79    77    51    48   0.15000  1.0 3.0
   79    77    51    52   0.13050  1.0 3.0
   79    77    51    54   0.15000  1.0 3.0
   51    48    50    33   1.36600  1.0 1.0
   51    48    50    33  -0.11450 -1.0 2.0
   51    48    50    33   0.24250  1.0 3.0
   51    48   -50    53   1.24050  1.0 1.0
   51    48   -50    53   0.48100 -1.0 2.0
   51    48   -50    53   1.08150  1.0 3.0
   51    48   -50    59   1.36600  1.0 1.0
   51    48   -50    59  -0.11450 -1.0 2.0
   51    48   -50    59   0.24250  1.0 3.0
   51    54   -59    50   1.36600  1.0 1.0
   51    54   -59    50  -0.11450 -1.0 2.0
   51    54   -59    50   0.24250  1.0 3.0
   51    54    59    60   0.19200  1.0 3.0
   51    54    59    61   0.19200  1.0 3.0
   52    51    54    55   0.13050  1.0 3.0
   52    51    54    56   0.13050  1.0 3.0
   52    51    54    59   0.17350  1.0 3.0
   55    54    59    50   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   56    54    59    50   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   59    50    53    57   0.04150 -1.0 2.0
   59    50    53    72   0.04150 -1.0 2.0
   67    63    65    66   3.62500 -1.0 2.0
   67    63    65    72   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   64    62    63    67   3.62500 -1.0 2.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    45   0.86500  1.0 1.0
   43    38    40    45  -0.17500 -1.0 2.0
   43    38    40    45   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   57    72    53    50   4.00000 -1.0 2.0
   62    58    57    53   1.10000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   65    67    63    62   4.00000 -1.0 2.0
   72    66    65    63   1.10000 -1.0 2.0
   65    77    72    53   4.00000 -1.0 2.0
END
