* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    145    234     428
    1     0 S   NP   _N1_     1    28.99064    93.88900   -19.10312
    2     1 S   H    _HN1     2     1.02780    78.79509   -79.77052
    3     1 S   H    _H1_     3     1.02957    99.53344    27.18156
    4     1 S   H    _H2_     4     1.02839    34.67980   133.49112
    5     1 S   CT   _CA1     5     1.50128   141.55026   168.48970
    6     5 S   HC   _HA1     6     1.09572   105.25308    38.91197
    7     5 S   CO3  _C1_     7     1.53781   112.16414   -81.35104
    8     7 S   O2Z  _O11     8     1.26374   114.99566   -47.38005
    9     7 S   O2Z  _O12     9     1.26241   114.76611   131.43346
   10     5 S   CT   _CB1    10     1.53008   107.41721   156.80412
   11    10 S   HC   HB11    11     1.09827   109.38223   -50.05749
   12    10 S   HC   HB12    12     1.09835   110.36351    66.44251
   13    10 S   CT   _CG1    13     1.53079   112.78824  -171.17441
   14    13 S   HC   HG11    14     1.09543   110.40805   -60.73080
   15    13 S   HC   HG12    15     1.09615   110.20458    58.60107
   16    13 S   C    _CD1    16     1.51770   111.81402   178.75746
   17    16 S   O    _OE1    17     1.22778   123.03759    -9.63917
   18    16 S   N    _N2_    18     1.38678   112.03395   170.55985
   19    18 S   H    _HN2    19     1.01589   119.21856     2.00447
   20    18 S   CT1  _CA2    20     1.46278   122.87976  -176.75762
   21    20 S   HC   _HA2    21     1.09737   109.17964   -13.66077
   22    20 S   C    _C2_    22     1.53334   108.73956  -129.48598
   23    22 S   O    _O2_    23     1.23019   122.14430  -146.92617
   24    20 S   CT   _CB2    32     1.53585   111.72432   107.94242
   25    24 S   HC   HB21    33     1.09352   109.86946    63.87538
   26    24 S   HC   HB22    34     1.09561   110.05547  -178.73684
   27    22 S   N    _N3_    24     1.38475   113.40364    40.42687
   28    27 S   H    _HN3    25     1.01531   118.90948    -0.56128
   29    24 S   S    _SG2    35     1.83058   111.59360   -59.78078
   30    27 S   CT   _CA3    26     1.45453   123.45563   175.07841
   31    30 S   HC   HA31    27     1.09523   109.23765    24.22054
   32    30 S   HC   HA32    28     1.09495   107.11805   141.23373
   33    29 S   CT   _C21    36     1.86589   101.84348   139.26140
   34    30 S   CO3  _C3_    29     1.52931   113.13106   -99.25262
   35    34 S   O2Z  _O31    30     1.26401   115.41721   -43.86217
   36    34 S   O2Z  _O32    31     1.26357   114.97191   137.07133
   37    33 S   C    _C22    37     1.52825   103.58927  -172.24324
   38    37 S   O    _O36    38     1.22392   124.26761   -89.92121
   39    33 S   CT   _C20    75     1.53393   108.81825    67.19903
   40    39 S   HC   _H17    76     1.09744   111.01465    67.63496
   41    39 S   HC   _H18    77     1.09719   110.41725   -50.09879
   42    37 S   N    _N5_    39     1.39142   107.16205    91.44757
   43    42 S   CA   _C9_    40     1.42435   124.25558  -168.97657
   44    42 S   C    _C15    62     1.38635   111.94246    12.47620
   45    44 S   O    _O35    63     1.22303   129.54721  -173.70070
   46    43 S   CA   _C8_    41     1.40862   120.62735  -148.01958
   47    46 S   HA   _H7_    42     1.08535   118.75858     1.89227
   48    33 S   CT   _C16    64     1.53843   113.31077   -63.34380
   49    48 S   HC   _H3_    65     1.09335   112.78846    36.57649
   50    46 S   CA   _C7_    43     1.40692   121.76336   179.91607
   51    48 S   CT   _C17    66     1.53631   114.65225   162.47412
   52    51 S   HC   _H11    67     1.09730   109.16707  -165.44240
   53    51 S   HC   _H12    68     1.09866   110.69716    78.84620
   54    50 S   CA   _C12    44     1.39846   118.36012     1.45468
   55    51 S   CT   _C18    69     1.51986   113.02126   -43.31025
   56    55 S   HC   _H13    70     1.09665   109.93146   -65.29985
   57    55 S   HC   _H14    71     1.09582   109.53252   177.30354
   58    54 S   CA   _C11    45     1.39281   120.86517    -2.09826
   59    58 S   HA   _H8_    46     1.08630   120.57124  -179.54458
   60    54 S   OS   _O33    49     1.36796   122.82512  -178.95283
   61    55 S   CT   _C19    72     1.52096   110.47751    56.43143
   62    61 S   HC   _H15    73     1.09658   110.06481    60.47234
   63    61 S   HC   _H16    74     1.09603   109.60189   177.75598
   64    43 S   CA   _C10    47     1.39965   121.58765    32.18112
   65    64 S   F    F1__    48     1.34100   121.06845     3.62898
   66    60 S   CT   _C13    50     1.41192   112.29786   -27.87167
   67    66 S   HC   _H9_    51     1.09730   109.57697   -75.90974
   68    66 S   HC   _H10    52     1.09553   107.14874   167.85387
   69    66 S   C    _C14    53     1.51526   115.92900    47.41351
   70    69 S   O    _O34    54     1.23090   120.65969   145.66528
   71    50 S   N    _N4_    55     1.42829   122.88705  -175.97562
   72    71 S   CT   _C6_    56     1.46378   121.20354     9.68901
   73    72 S   HC   _H5_    57     1.09519   110.00934    37.95656
   74    72 S   HC   _H6_    58     1.09665   108.75951   153.14756
   75    72 S   CZ   _C5_    59     1.46812   111.75901   -87.03352
   76    75 S   CZ   _C4_    60     1.20040   179.77445   136.82524
   77    76 S   HC   _H4_    61     1.06508   179.22519   -92.52706
  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  12   5   4   3
  18   2   1   1  14   5  13   6   5  12  12   9   3  10   4   8
   4  13   8   5   4  11   5   4   3   6   3   7   2   1   1   1
   1   6   4   3   6   2   5   5   3   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    48    49    51    61    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    48    49    51    52    53    55    61    62    63    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    64    44    45    48    49    51    61    39    40    41  
   42    43    44    48    39  
   40    41    42    44    48    49    51    55    56    57    61    62    63  
   41    48    55    61    62    63  
   48    55    61    62    63  
   43    46    47    50    58    64    65    44    45    48    49    51  
   46    47    50    54    58    59    64    65    71    44    45    48  
   45    48    49    51    52    53    55    46    64  
   48    49    51  
   47    50    54    58    64    65    60    69    71    72  
   50    54    64    71  
   49    51    52    53    55    56    57    61  
   51    52    53    55  
   54    58    59    64    60    66    69    70    71    72    73    74    75  
   52    53    55    56    57    61    62    63  
   53    55    56    57    61  
   55    56    57    61  
   58    59    64    65    60    66    67    68    69    71    72  
   56    57    61    62    63  
   57    61    62    63  
   61    62    63  
   59    64    65    60    66    71  
   64    65    60  
   66    67    68    69    70    71    64  
   62    63  
   63  
    0  
   65  
    0  
   67    68    69    70    71    72  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74    75  
   71    72  
   72    73    74    75    76  
   73    74    75    76    77  
   74    75    76  
   75    76  
   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  -0.175000   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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   39   3.5000   0.0660  -0.120000   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   3.2500   0.1700  -0.206700   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   71   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   72   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
   76   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
   77   2.4200   0.0300   0.200000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   490.000  1.335
   42    43   360.000  1.404
   42    44   490.000  1.335
   43    46   469.000  1.400
   43    64   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    54   469.000  1.400
   50    71   360.000  1.404
   54    58   469.000  1.400
   54    60   450.000  1.364
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   420.000  1.354
   60    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.522
   69    70   570.000  1.229
   69    71   490.000  1.335
   71    72   337.000  1.449
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   390.000  1.470
   75    76   985.000  1.221
   76    77   410.000  1.067
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    70.00000  112.33000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    70.00000  116.60000
   33    48    44    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  121.96500
   37    42    44    70.00000  121.37400
   42    37    38    80.00000  122.90000
   42    43    46    70.00000  119.01900
   42    43    64    70.00000  119.01900
   42    44    45    80.00000  122.90000
   42    44    48    70.00000  116.60000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   43    64    58    63.00000  120.00000
   43    64    65    80.00000  120.00000
   46    50    54    63.00000  120.00000
   46    50    71    70.00000  119.01900
   50    46    47    35.00000  120.00000
   50    54    58    63.00000  120.00000
   50    54    60    70.00000  120.00000
   50    71    69    65.00000  121.96500
   50    71    72    70.00000  121.06000
   54    58    59    35.00000  120.00000
   54    58    64    63.00000  120.00000
   54    60    66    75.00000  111.00000
   58    64    65    80.00000  120.00000
   64    43    46    63.00000  120.00000
   64    58    59    35.00000  120.00000
   60    54    58    70.00000  120.00000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    90.00000  108.55600
   66    69    70    80.00000  120.40000
   66    69    71    70.00000  116.60000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    50.00000  121.90000
   71    50    54    70.00000  119.01900
   71    69    70    80.00000  122.90000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    80.00000  111.92500
   72    75    76    30.00000  179.48800
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  108.50000
   75    72    74    35.00000  108.50000
   75    76    77    20.00000  179.85100
   44    42    43    65.00000  121.96500
   44    48    49    35.00000  109.50000
   44    48    51    63.00000  111.10000
   48    33    37    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    55    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    39    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    41    37.50000  110.70000
   63    61    62    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    48    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    61    63    37.50000  110.70000
   41    39    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.00000  1.0 1.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   0.76000  1.0 1.0
   33    37    42    43   4.11600 -1.0 2.0
   33    37   -42    44   2.45000 -1.0 2.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    55   0.56750  1.0 1.0
   33    48    51    55  -0.07550 -1.0 2.0
   33    48    51    55   0.20000  1.0 3.0
   37    33   -48    44   0.11950  1.0 1.0
   37    33   -48    44   0.20300 -1.0 2.0
   37    33   -48    44  -0.70800  1.0 3.0
   37    33    48    49  -0.11250  1.0 3.0
   37    33    48    51  -0.95700  1.0 1.0
   37    33    48    51  -0.18200 -1.0 2.0
   37    33    48    51   0.29450  1.0 3.0
   37    33    39    61  -0.95700  1.0 1.0
   37    33    39    61  -0.18200 -1.0 2.0
   37    33    39    61   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    46   1.00100  1.0 1.0
   37    42    43    46   0.85050 -1.0 2.0
   37    42    43    64   1.00100  1.0 1.0
   37    42    43    64   0.85050 -1.0 2.0
   37    42    44    45   2.22250 -1.0 2.0
   37    42   -44    48   2.45000 -1.0 2.0
   38    37    42    43   0.04000 -1.0 2.0
   38    37    42    44   2.22250 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43    46    50   3.62500 -1.0 2.0
   42    43    64    58   3.62500 -1.0 2.0
   42    43    64    65   3.62500 -1.0 2.0
   42    44   -48    33   1.39750  1.0 1.0
   42    44   -48    33  -0.07950 -1.0 2.0
   42    44   -48    33  -0.18750  1.0 3.0
   42    44    48    49   0.00000  1.0 1.0
   42    44    48    51   1.39750  1.0 1.0
   42    44    48    51  -0.07950 -1.0 2.0
   42    44    48    51  -0.18750  1.0 3.0
   43    42    44    45   0.04000 -1.0 2.0
   43    42    44    48   0.76000  1.0 1.0
   43    42    44    48   4.11600 -1.0 2.0
   43    46    50    54   3.62500 -1.0 2.0
   43    46    50    71   3.62500 -1.0 2.0
   46    43    64    58   3.62500 -1.0 2.0
   46    43    64    65   3.62500 -1.0 2.0
   46    50   -54    58   3.62500 -1.0 2.0
   46    50    54    60   3.62500 -1.0 2.0
   46    50    71    69   1.00100  1.0 1.0
   46    50    71    69   0.85050 -1.0 2.0
   46    50    71    72   0.81400  1.0 1.0
   46    50    71    72   1.55550 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    71   3.62500 -1.0 2.0
   50    54    58    59   3.62500 -1.0 2.0
   50    54    58    64   3.62500 -1.0 2.0
   50    54    60    66   1.63200 -1.0 2.0
   50    71    72    73   0.00000  1.0 1.0
   50    71    72    74   0.00000  1.0 1.0
   50    71    72    75   0.17850 -1.0 2.0
   54    50    71    69   1.00100  1.0 1.0
   54    50    71    69   0.85050 -1.0 2.0
   54    50    71    72   0.81400  1.0 1.0
   54    50    71    72   1.55550 -1.0 2.0
   54    58   -64    43   3.62500 -1.0 2.0
   54    58    64    65   3.62500 -1.0 2.0
   54    60    66    67   0.08050  1.0 3.0
   54    60    66    68   0.08050  1.0 3.0
   54    60   -66    69  -0.25600  1.0 1.0
   54    60   -66    69  -0.40050 -1.0 2.0
   54    60   -66    69   0.34700  1.0 3.0
   58    54    60    66   1.63200 -1.0 2.0
   59    58    64    43   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   64    43    46    47   3.62500 -1.0 2.0
   64    43   -46    50   3.62500 -1.0 2.0
   60    54    58    59   3.62500 -1.0 2.0
   60    54    58    64   3.62500 -1.0 2.0
   60    66    69    70   0.30150 -1.0 2.0
   60    66    69    71   0.00000  1.0 1.0
   66    69   -71    50   0.76000  1.0 1.0
   66    69   -71    50   4.11600 -1.0 2.0
   66    69    71    72   1.49850  1.0 1.0
   66    69    71    72   1.53950 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    71   0.00000  1.0 1.0
   69    71    72    73   0.00000  1.0 1.0
   69    71    72    74   0.00000  1.0 1.0
   69    71    72    75  -0.42300  1.0 1.0
   69    71    72    75  -0.07000 -1.0 2.0
   69    71    72    75   0.04150  1.0 3.0
   70    69    71    50   0.04000 -1.0 2.0
   70    69    71    72   3.04450 -1.0 2.0
   71    50    54    58   3.62500 -1.0 2.0
   71    50   -54    60   3.62500 -1.0 2.0
   71    72    75    76   0.00000  1.0 1.0
   72    75    76    77   0.00000  1.0 1.0
   73    72    75    76   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   44    42    43    46   1.00100  1.0 1.0
   44    42    43    46   0.85050 -1.0 2.0
   44    42    43    64   1.00100  1.0 1.0
   44    42    43    64   0.85050 -1.0 2.0
   44    48    51    52  -0.11250  1.0 3.0
   44    48    51    53  -0.11250  1.0 3.0
   44    48    51    55  -0.95700  1.0 1.0
   44    48    51    55  -0.18200 -1.0 2.0
   44    48    51    55   0.29450  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   0.30150 -1.0 2.0
   48    33    37    38   0.30150 -1.0 2.0
   48    33   -37    42   1.39750  1.0 1.0
   48    33   -37    42  -0.07950 -1.0 2.0
   48    33   -37    42  -0.18750  1.0 3.0
   48    33    39    61   0.56750  1.0 1.0
   48    33    39    61  -0.07550 -1.0 2.0
   48    33    39    61   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51   -55    61   0.56750  1.0 1.0
   48    51   -55    61  -0.07550 -1.0 2.0
   48    51   -55    61   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   51    55    61    62   0.15000  1.0 3.0
   51    55    61    63   0.15000  1.0 3.0
   51    55    61    39   0.56750  1.0 1.0
   51    55    61    39  -0.07550 -1.0 2.0
   51    55    61    39   0.20000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    61   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    61   0.15000  1.0 3.0
   55    61   -39    33   0.56750  1.0 1.0
   55    61   -39    33  -0.07550 -1.0 2.0
   55    61   -39    33   0.20000  1.0 3.0
   55    61    39    40   0.15000  1.0 3.0
   55    61    39    41   0.15000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    39   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    39   0.15000  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    40   0.15000  1.0 3.0
   62    61    39    41   0.15000  1.0 3.0
   63    61    39    33   0.15000  1.0 3.0
   63    61    39    40   0.15000  1.0 3.0
   63    61    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   1.39750  1.0 1.0
   39    33    37    42  -0.07950 -1.0 2.0
   39    33    37    42  -0.18750  1.0 3.0
   39    33    48    44  -0.95700  1.0 1.0
   39    33    48    44  -0.18200 -1.0 2.0
   39    33    48    44   0.29450  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   39    33   -48    51   0.56750  1.0 1.0
   39    33   -48    51  -0.07550 -1.0 2.0
   39    33   -48    51   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   44    37    42    43   1.00000 -1.0 2.0
   46    64    43    42   4.00000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   54    71    50    46   4.00000 -1.0 2.0
   58    60    54    50   4.00000 -1.0 2.0
   64    59    58    54   1.10000 -1.0 2.0
   58    65    64    43   4.00000 -1.0 2.0
   66    71    69    70  10.50000 -1.0 2.0
   72    69    71    50   1.00000 -1.0 2.0
   42    48    44    45  10.50000 -1.0 2.0
END
