* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    153    252     455
    1     0 S   NP   _N1_     1    29.19149    97.19837   -20.01565
    2     1 S   H    _HN1     2     1.02799    88.48493  -103.71303
    3     1 S   H    _H1_     3     1.02948    70.18831     6.39274
    4     1 S   H    _H2_     4     1.02841    50.08824   141.39455
    5     1 S   CT   _CA1     5     1.50061   156.77815   102.47876
    6     5 S   HC   _HA1     6     1.09554   105.29170    90.27895
    7     5 S   CO3  _C1_     7     1.53851   112.60664   -30.28120
    8     7 S   O2Z  _O11     8     1.26388   115.08274   -39.71130
    9     7 S   O2Z  _O12     9     1.26232   115.10864   140.06149
   10     5 S   CT   _CB1    10     1.53151   107.52347  -151.35684
   11    10 S   HC   HB11    11     1.09819   109.79709   -47.11226
   12    10 S   HC   HB12    12     1.09820   110.23095    69.63797
   13    10 S   CT   _CG1    13     1.52973   112.44689  -167.99587
   14    13 S   HC   HG11    14     1.09394   110.45202   -60.05380
   15    13 S   HC   HG12    15     1.09645   109.86024    59.08371
   16    13 S   C    _CD1    16     1.51701   112.46678  -179.93744
   17    16 S   O    _OE1    17     1.22716   123.21336     5.36677
   18    16 S   N    _N2_    18     1.38700   111.69329  -175.27495
   19    18 S   H    _HN2    19     1.01583   119.09163     3.16087
   20    18 S   CT1  _CA2    20     1.46249   123.24073   179.13205
   21    20 S   HC   _HA2    21     1.09734   109.25271     1.64354
   22    20 S   C    _C2_    22     1.53504   108.92390  -113.93247
   23    22 S   O    _O2_    23     1.23055   122.21828  -149.79521
   24    20 S   CT   _CB2    32     1.53322   111.60435   123.41466
   25    24 S   HC   HB21    33     1.09541   110.18537    60.68802
   26    24 S   HC   HB22    34     1.09539   110.32629   178.62285
   27    22 S   N    _N3_    24     1.38300   113.74145    37.63329
   28    27 S   H    _HN3    25     1.01585   119.57329    -3.32095
   29    24 S   S    _SG2    35     1.83052   111.43826   -62.58609
   30    27 S   CT   _CA3    26     1.45291   123.23455   177.13447
   31    30 S   HC   HA31    27     1.09548   107.49017   -65.05491
   32    30 S   HC   HA32    28     1.09555   108.01873    51.40119
   33    29 S   CT   _C17    36     1.84481   100.11668   125.06301
   34    33 S   HC   _H5_    37     1.09429   107.36065   -36.48614
   35    30 S   CO3  _C3_    29     1.52962   114.04397   173.38506
   36    35 S   O2Z  _O31    30     1.26383   116.03772    -1.53404
   37    35 S   O2Z  _O32    31     1.26426   114.42346   178.54344
   38    33 S   CM   _C16    38     1.50481   108.99800    80.64522
   39    38 S   HC   _H17    39     1.09087   116.46742   -38.95673
   40    38 S   CMA  _C15    40     1.35065   126.45061   142.19817
   41    40 S   OM   _O34    41     1.26325   128.63983  -178.08143
   42    40 S   CT   _C14    42     1.54014   119.71410     1.22301
   43    42 S   HC   _H4_    43     1.10060   108.38909  -124.71060
   44    42 S   CT   _C7_    44     1.54692   116.00553    -1.77100
   45    42 S   OS   _O33    53     1.47959   110.21413   118.95731
   46    44 S   CR3  _C8_    45     1.48648    98.32649    95.45069
   47    44 S   CT   _C6_    71     1.54722   111.56261  -149.50703
   48    47 S   HC   _H13    72     1.09848   108.61319    65.87206
   49    47 S   HC   _H14    73     1.09784   111.21770   -50.53948
   50    46 S   CA   _C9_    46     1.38034   126.04154  -157.51490
   51    50 S   CA   _C10    47     1.39353   116.74875  -178.39380
   52    51 S   HA   _H15    48     1.08726   120.28308   179.98022
   53    50 S   CT   _C20    59     1.50559   118.96478     6.10788
   54    53 S   HC   _H18    60     1.09762   106.43635   114.84741
   55    53 S   HC   _H19    61     1.09310   109.45874  -130.18129
   56    51 S   CA   _C11    49     1.41339   120.46911    -1.17153
   57    56 S   HA   _H16    50     1.08648   117.31672   179.94405
   58    53 S   CT   _C19    62     1.56233   114.72507    -3.57369
   59    58 S   HC   _H7_    63     1.09557   109.32995   155.33546
   60    56 S   CA   _C12    51     1.40487   121.29384    -1.74619
   61    33 S   CT   _C18    64     1.54598   108.50612  -155.97895
   62    61 S   HC   _H6_    65     1.10136   107.97569   -44.92077
   63    58 S   NP   _N4_    66     1.53806   111.56266   -89.40369
   64    63 S   H    _H3_    67     1.02925   105.13560   178.76125
   65    46 S   CA   _C13    52     1.37852   110.65445    19.68369
   66    60 S   OS   _O35    54     1.36425   126.32481  -177.88382
   67    63 S   CT   _C5_    68     1.50738   114.52155    63.19095
   68    67 S   HC   _H11    69     1.09453   108.08181   -71.30746
   69    67 S   HC   _H12    70     1.09554   107.29470   171.98614
   70    63 S   CT   _C4_    74     1.50611   113.85061   -67.76954
   71    70 S   HC   _H8_    75     1.09152   109.33024    72.94186
   72    70 S   HC   _H9_    76     1.09344   107.67166  -167.18480
   73    70 S   HC   _H10    77     1.09248   108.08353   -48.70568
   74    66 S   CT   _C21    55     1.42209   116.72421    -0.08847
   75    74 S   HC   _H20    56     1.09428   107.77201   180.00000
   76    74 S   HC   _H21    57     1.09504   111.14088    62.21523
   77    74 S   HC   _H22    58     1.09504   111.14077   -62.23208
  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
  15   7   2   1   1  10   4   9   4  14   6  18   8  17  13   6
   5  13  10   4  12   5   4   5   3  12   6   6   6   1   8   7
   2   4   6   2   1   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    58    61    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    46    53    58    59    61    62    63    47  
   38    39    40    44    58    61    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    58    61    62  
   40    41    42    61  
   41    42    43    44    46    65    45    61    47  
   42    43    44    45  
   43    44    46    50    60    65    45    58    61    62    67    47    48    49  
   44    46    65    45    61    47  
   46    50    51    60    65    45    53    58    59    61    62    63    67    68    69    47    48    49  
   66    61    47    46    50    56    60    65  
   50    51    52    56    60    65    66    53    54    55    58    61    62    67    47    48    49  
   48    49    70    50    58    61    62    63    64    65    67    68    69  
   49    61    63    67    68    69  
   61    63    67    68    69  
   51    52    56    57    60    65    53    54    55    58    59    61    63  
   52    56    57    60    65    66    53    54    55    58  
   56    57    60    53  
   54    55    58    59    61    62    63    64    67    70    56    65  
   55    58    59    61    63  
   58    59    61    63  
   57    60    65    66    74  
   60    65    66  
   59    61    62    63    64    67    68    69    70    71    72    73  
   61    62    63    64    67    70  
   65    66    74    75    76    77  
   62    63    64    67    70    65  
   63  
   64    67    68    69    70    71    72    73  
   67    68    69    70    71    72    73  
   66    74  
   74    75    76    77  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   64   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    61   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    45   320.000  1.410
   44    46   317.000  1.510
   44    61   268.000  1.529
   44    47   268.000  1.529
   46    50   490.000  1.398
   46    65   490.000  1.398
   50    51   469.000  1.400
   50    53   317.000  1.510
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    65   469.000  1.400
   60    66   450.000  1.364
   65    45   450.000  1.364
   66    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   367.000  1.471
   61    62   340.000  1.090
   63    64   434.000  1.010
   63    67   367.000  1.471
   63    70   367.000  1.471
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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  112.20000
   29    33    61    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    61    44    58.35000  112.70000
   33    61    58    58.35000  112.70000
   33    61    62    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    70.00000  112.02700
   40    42    45    85.00000  110.90400
   42    40    41    85.00000  112.85300
   42    44    46    70.00000  112.17500
   42    44    61    58.35000  112.70000
   42    44    47    58.35000  112.70000
   42    45    65    75.00000  111.00000
   44    42    43    37.50000  110.70000
   44    46    50    70.00000  120.00000
   44    46    65    70.00000  120.00000
   44    61    58    58.35000  112.70000
   44    61    62    37.50000  110.70000
   44    47    67    58.35000  112.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   46    50    51    70.00000  112.88000
   46    50    53    80.00000  105.07000
   46    65    60    70.00000  112.88000
   46    65    45    70.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    56    63.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    58    70.00000  112.17500
   51    56    57    35.00000  120.00000
   51    56    60    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    60    65    63.00000  120.00000
   56    60    66    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    65    45    70.00000  120.00000
   60    66    74    75.00000  111.00000
   65    46    50    60.00000  130.80000
   45    42    43    35.00000  109.50000
   45    42    44    50.00000  109.50000
   66    60    65    70.00000  120.00000
   66    74    75    35.00000  109.50000
   66    74    76    35.00000  109.50000
   66    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   53    50    51    70.00000  120.00000
   53    58    59    37.50000  110.70000
   53    58    61    58.35000  112.70000
   53    58    63    80.00000  111.20000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    63    64    35.00000  109.50000
   58    63    67    75.00000  113.01200
   58    63    70    75.00000  113.01200
   61    33    34    37.50000  110.70000
   61    33    38    70.00000  112.02700
   61    44    46    70.00000  112.17500
   61    58    59    37.50000  110.70000
   63    58    59    35.00000  109.50000
   63    58    61    80.00000  111.20000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    47    80.00000  111.20000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    73    35.00000  109.50000
   67    63    64    35.00000  109.50000
   67    47    48    37.50000  110.70000
   67    47    49    37.50000  110.70000
   69    67    68    33.00000  107.80000
   47    44    46    70.00000  112.17500
   47    44    61    58.35000  112.70000
   47    67    68    37.50000  110.70000
   47    67    69    37.50000  110.70000
   49    47    48    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    67    75.00000  113.01200
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    61    44   0.44750  1.0 1.0
   29    33    61    44  -0.17800 -1.0 2.0
   29    33    61    44   0.20200  1.0 3.0
   29    33    61    58   0.44750  1.0 1.0
   29    33    61    58  -0.17800 -1.0 2.0
   29    33    61    58   0.20200  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    61    44   0.15000  1.0 3.0
   34    33    61    58   0.15000  1.0 3.0
   34    33    61    62   0.15000  1.0 3.0
   38    33    61    44   0.34400  1.0 1.0
   38    33    61    44   0.09450 -1.0 2.0
   38    33    61    44   0.11100  1.0 3.0
   38    33    61    58   0.34400  1.0 1.0
   38    33    61    58   0.09450 -1.0 2.0
   38    33    61    58   0.11100  1.0 3.0
   38    33    61    62   0.15000  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    45   0.39000  1.0 1.0
   38    40    42    45  -0.05800 -1.0 2.0
   38    40    42    45  -0.55150  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    46   0.21200  1.0 1.0
   40    42    44    46   0.16900 -1.0 2.0
   40    42    44    46  -1.15100  1.0 3.0
   40    42    44    61   0.34400  1.0 1.0
   40    42    44    61   0.09450 -1.0 2.0
   40    42    44    61   0.11100  1.0 3.0
   40    42    44    47   0.34400  1.0 1.0
   40    42    44    47   0.09450 -1.0 2.0
   40    42    44    47   0.11100  1.0 3.0
   40    42    45    65  -0.25600  1.0 1.0
   40    42    45    65  -0.40050 -1.0 2.0
   40    42    45    65   0.34700  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.09700  1.0 1.0
   41    40    42    44   0.15600 -1.0 2.0
   41    40    42    44  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    44    46    50   0.04150 -1.0 2.0
   42    44   -46    65   0.04150 -1.0 2.0
   42    44   -61    33   0.56750  1.0 1.0
   42    44   -61    33  -0.07550 -1.0 2.0
   42    44   -61    33   0.20000  1.0 3.0
   42    44    61    58   0.56750  1.0 1.0
   42    44    61    58  -0.07550 -1.0 2.0
   42    44    61    58   0.20000  1.0 3.0
   42    44    61    62   0.15000  1.0 3.0
   42    44    47    67   0.56750  1.0 1.0
   42    44    47    67  -0.07550 -1.0 2.0
   42    44    47    67   0.20000  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   43    42    44    46   0.43200  1.0 3.0
   43    42    44    61   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    45    65   0.08050  1.0 3.0
   44    42   -45    65  -0.32850  1.0 1.0
   44    42   -45    65  -0.35800 -1.0 2.0
   44    42   -45    65   0.33950  1.0 3.0
   44    46    50    51   3.62500 -1.0 2.0
   44    46    50    53   3.62500 -1.0 2.0
   44    46    65    60   3.62500 -1.0 2.0
   44    46   -65    45   3.62500 -1.0 2.0
   46    44    61    33  -0.03700  1.0 1.0
   46    44    61    33   0.37200 -1.0 2.0
   46    44    61    33  -0.47300  1.0 3.0
   46    44    61    58  -0.03700  1.0 1.0
   46    44    61    58   0.37200 -1.0 2.0
   46    44    61    58  -0.47300  1.0 3.0
   46    44    61    62   0.43200  1.0 3.0
   46    44    47    67  -0.03700  1.0 1.0
   46    44    47    67   0.37200 -1.0 2.0
   46    44    47    67  -0.47300  1.0 3.0
   46    44    47    48   0.43200  1.0 3.0
   46    44    47    49   0.43200  1.0 3.0
   46    50    51    52   3.62500 -1.0 2.0
   46    50    51    56   3.62500 -1.0 2.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50   -53    58   0.04150 -1.0 2.0
   46    65   -45    42   1.63200 -1.0 2.0
   50    46    65    60   3.62500 -1.0 2.0
   50    46    65    45   3.62500 -1.0 2.0
   50    51    56    57   3.62500 -1.0 2.0
   50    51   -56    60   3.62500 -1.0 2.0
   50    53    58    59   0.43200  1.0 3.0
   50    53    58    61  -0.03700  1.0 1.0
   50    53    58    61   0.37200 -1.0 2.0
   50    53    58    61  -0.47300  1.0 3.0
   50    53    58    63   1.24050  1.0 1.0
   50    53    58    63   0.48100 -1.0 2.0
   50    53    58    63   1.08150  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    58   0.04150 -1.0 2.0
   51    56    60    65   3.62500 -1.0 2.0
   51    56    60    66   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    60   3.62500 -1.0 2.0
   56    60   -65    46   3.62500 -1.0 2.0
   56    60    65    45   3.62500 -1.0 2.0
   56    60    66    74   1.63200 -1.0 2.0
   57    56    60    65   3.62500 -1.0 2.0
   57    56    60    66   3.62500 -1.0 2.0
   60    65    45    42   1.63200 -1.0 2.0
   60    66    74    75   0.08050  1.0 3.0
   60    66    74    76   0.08050  1.0 3.0
   60    66    74    77   0.08050  1.0 3.0
   65    46   -50    51   3.62500 -1.0 2.0
   65    46    50    53   3.62500 -1.0 2.0
   65    60    66    74   1.63200 -1.0 2.0
   45    42   -44    46  -0.64350  1.0 1.0
   45    42   -44    46  -0.04200 -1.0 2.0
   45    42   -44    46   0.19800  1.0 3.0
   45    42    44    61   0.62750  1.0 1.0
   45    42    44    61  -0.30950 -1.0 2.0
   45    42    44    61   0.27300  1.0 3.0
   45    42    44    47   0.62750  1.0 1.0
   45    42    44    47  -0.30950 -1.0 2.0
   45    42    44    47   0.27300  1.0 3.0
   66    60    65    46   3.62500 -1.0 2.0
   66    60    65    45   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50    51    56   3.62500 -1.0 2.0
   53    58    61    33   0.56750  1.0 1.0
   53    58    61    33  -0.07550 -1.0 2.0
   53    58    61    33   0.20000  1.0 3.0
   53    58   -61    44   0.56750  1.0 1.0
   53    58   -61    44  -0.07550 -1.0 2.0
   53    58   -61    44   0.20000  1.0 3.0
   53    58    61    62   0.15000  1.0 3.0
   53    58    63    64   0.17350  1.0 3.0
   53    58    63    67   0.47100  1.0 1.0
   53    58    63    70   0.47100  1.0 1.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   54    53    58    63   0.19200  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    61   0.15000  1.0 3.0
   55    53    58    63   0.19200  1.0 3.0
   58    63    67    68   0.15000  1.0 3.0
   58    63    67    69   0.15000  1.0 3.0
   58    63    67    47   0.47100  1.0 1.0
   58    63    70    71   0.15000  1.0 3.0
   58    63    70    72   0.15000  1.0 3.0
   58    63    70    73   0.15000  1.0 3.0
   59    58    61    33   0.15000  1.0 3.0
   59    58    61    44   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    63    64   0.13050  1.0 3.0
   59    58    63    67   0.15000  1.0 3.0
   59    58    63    70   0.15000  1.0 3.0
   61    33    38    39   0.00000  1.0 1.0
   61    33   -38    40   0.09850  1.0 1.0
   61    33   -38    40   0.15250 -1.0 2.0
   61    33   -38    40  -0.50650  1.0 3.0
   61    44   -46    50   0.04150 -1.0 2.0
   61    44    46    65   0.04150 -1.0 2.0
   61    44    47    67   0.56750  1.0 1.0
   61    44    47    67  -0.07550 -1.0 2.0
   61    44    47    67   0.20000  1.0 3.0
   61    44    47    48   0.15000  1.0 3.0
   61    44    47    49   0.15000  1.0 3.0
   61    58    63    64   0.17350  1.0 3.0
   61    58   -63    67   0.47100  1.0 1.0
   61    58    63    70   0.47100  1.0 1.0
   63    58    61    33   1.36600  1.0 1.0
   63    58    61    33  -0.11450 -1.0 2.0
   63    58    61    33   0.24250  1.0 3.0
   63    58    61    44   1.36600  1.0 1.0
   63    58    61    44  -0.11450 -1.0 2.0
   63    58    61    44   0.24250  1.0 3.0
   63    58    61    62   0.19200  1.0 3.0
   63    67   -47    44   1.36600  1.0 1.0
   63    67   -47    44  -0.11450 -1.0 2.0
   63    67   -47    44   0.24250  1.0 3.0
   63    67    47    48   0.19200  1.0 3.0
   63    67    47    49   0.19200  1.0 3.0
   64    63    67    68   0.13050  1.0 3.0
   64    63    67    69   0.13050  1.0 3.0
   64    63    67    47   0.17350  1.0 3.0
   64    63    70    71   0.13050  1.0 3.0
   64    63    70    72   0.13050  1.0 3.0
   64    63    70    73   0.13050  1.0 3.0
   67    63    70    71   0.15000  1.0 3.0
   67    63    70    72   0.15000  1.0 3.0
   67    63    70    73   0.15000  1.0 3.0
   68    67    47    44   0.15000  1.0 3.0
   68    67    47    48   0.15000  1.0 3.0
   68    67    47    49   0.15000  1.0 3.0
   69    67    47    44   0.15000  1.0 3.0
   69    67    47    48   0.15000  1.0 3.0
   69    67    47    49   0.15000  1.0 3.0
   47    44    46    50   0.04150 -1.0 2.0
   47    44    46    65   0.04150 -1.0 2.0
   47    44    61    33   0.56750  1.0 1.0
   47    44    61    33  -0.07550 -1.0 2.0
   47    44    61    33   0.20000  1.0 3.0
   47    44   -61    58   0.56750  1.0 1.0
   47    44   -61    58  -0.07550 -1.0 2.0
   47    44   -61    58   0.20000  1.0 3.0
   47    44    61    62   0.15000  1.0 3.0
   70    63    67    68   0.15000  1.0 3.0
   70    63    67    69   0.15000  1.0 3.0
   70    63    67    47   0.47100  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   50    65    46    44   4.00000 -1.0 2.0
   51    53    50    46   4.00000 -1.0 2.0
   56    52    51    50   1.10000 -1.0 2.0
   60    57    56    51   1.10000 -1.0 2.0
   65    66    60    56   4.00000 -1.0 2.0
   60    45    65    46   4.00000 -1.0 2.0
END
