* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    142    222     424
    1     0 S   NP   _N1_     1    31.46527    90.20898   -23.19819
    2     1 S   H    _HN1     2     1.03152   130.45872   -50.51807
    3     1 S   H    _H1_     3     1.03101   105.85458    79.48630
    4     1 S   H    _H2_     4     1.02709    25.66744   -17.70947
    5     1 S   CT   _CA1     5     1.50175    89.23991  -168.68915
    6     5 S   HC   _HA1     6     1.09560   105.21766    75.11091
    7     5 S   CO3  _C1_     7     1.53593   113.20601   -45.51019
    8     7 S   O2Z  _O11     8     1.26330   115.28096   -40.74933
    9     7 S   O2Z  _O12     9     1.26302   114.85290   138.60371
   10     5 S   CT   _CB1    10     1.52660   106.91430  -166.99328
   11    10 S   HC   HB11    11     1.09659   109.13721   -49.86302
   12    10 S   HC   HB12    12     1.09783   109.97486    66.03232
   13    10 S   CT   _CG1    13     1.53060   114.10601  -170.79329
   14    13 S   HC   HG11    14     1.09519   111.40056   -72.58153
   15    13 S   HC   HG12    15     1.09552   111.06571    47.77870
   16    13 S   C    _CD1    16     1.51413   108.39084   166.62372
   17    16 S   O    _OE1    17     1.22815   122.01598  -101.78100
   18    16 S   N    _N2_    18     1.38388   112.64328    74.69024
   19    18 S   H    _HN2    19     1.01609   119.20114     6.93429
   20    18 S   CT1  _CA2    20     1.45707   122.28540  -164.19362
   21    20 S   HC   _HA2    21     1.09603   107.61618    34.61256
   22    20 S   C    _C2_    22     1.52978   111.06539   -81.95543
   23    22 S   O    _O2_    23     1.23125   121.00169   156.60646
   24    20 S   CT   _CB2    32     1.53479   111.98085   156.37431
   25    24 S   HC   HB21    33     1.09686   109.53225    75.50180
   26    24 S   HC   HB22    34     1.09563   110.47759  -168.31162
   27    22 S   N    _N3_    24     1.38136   114.42371   -30.98204
   28    27 S   H    _HN3    25     1.01639   119.46486     6.14516
   29    24 S   S    _SG2    35     1.83228   115.80080   -43.41483
   30    27 S   CT   _CA3    26     1.45278   122.94883  -176.40201
   31    30 S   HC   HA31    27     1.09558   107.60986   -60.37676
   32    30 S   HC   HA32    28     1.09563   107.82003    55.96373
   33    29 S   CT   _C11    36     1.84993   101.90965   -59.67488
   34    33 S   HC   _H3_    37     1.09407   105.92640    54.26931
   35    30 S   CO3  _C3_    29     1.52891   114.26663   177.90258
   36    35 S   O2Z  _O31    30     1.26338   116.06964     0.81157
   37    35 S   O2Z  _O32    31     1.26437   114.41129  -179.16937
   38    33 S   CA   _C7_    38     1.51820   111.89560   -65.40671
   39    33 S   CM   _C12    54     1.51783   107.49074   170.47963
   40    39 S   HC   _H13    55     1.09242   115.30608    45.13432
   41    38 S   CA   _C8_    39     1.40342   121.92350   -63.58813
   42    41 S   HA   _H10    40     1.08734   120.56892    -0.05595
   43    39 S   CMA  _C13    56     1.35659   127.54339  -133.23333
   44    43 S   OM   _O35    57     1.26779   123.55186   176.16861
   45    41 S   CA   _C9_    41     1.39402   120.63573   179.88465
   46    45 S   HA   _H11    42     1.08614   119.31836  -179.90721
   47    43 S   OS   _O36    58     1.41454   112.05519    -2.58816
   48    45 S   CA   _C10    43     1.39426   119.71467     0.17804
   49    47 S   CT   _C14    59     1.44292   116.38800  -144.15326
   50    49 S   HC   _H14    60     1.09813   110.15516   -43.78230
   51    48 S   CA   _C5_    44     1.39856   121.06809     0.07662
   52    48 S   OH   _O34    52     1.37037   119.80379   179.92598
   53    52 S   HO   _H12    53     0.97195   108.74434    -0.25256
   54    49 S   CT   _C15    61     1.53744   107.63659  -160.44490
   55    54 S   HC   _H4_    62     1.09573   110.26875   -50.95770
   56    38 S   CA   _C6_    45     1.40793   119.38822   116.45288
   57    56 S   HA   _H9_    46     1.08668   118.12811     0.41825
   58    51 S   OS   _O33    47     1.37061   116.17318   179.70195
   59    54 S   CT   _C16    63     1.53117   111.37606  -175.33620
   60    59 S   HC   _H15    64     1.09825   109.76268   178.55085
   61    59 S   HC   _H16    65     1.10004   109.04400   -68.71240
   62    54 S   OH   _O41    79     1.43197   108.72002    65.75985
   63    62 S   HO   _H21    80     0.97320   106.86619  -177.30020
   64    58 S   CT   _C4_    48     1.42290   117.12915  -177.01653
   65    64 S   HC   _H6_    49     1.09428   107.71521   178.68003
   66    64 S   HC   _H7_    50     1.09481   111.24281    60.95960
   67    64 S   HC   _H8_    51     1.09499   111.10455   -63.66153
   68    59 S   CT   _C17    66     1.53091   113.64309    53.66249
   69    68 S   CT   _C18    67     1.53975   110.23485   -52.05278
   70    69 S   HC   _H17    68     1.09846   109.26578   -68.59754
   71    69 S   HC   _H18    69     1.09719   110.16113   175.98097
   72    68 S   CO3  _C20    74     1.55811   114.61184    75.65138
   73    72 S   O2Z  _O39    75     1.26648   114.73667  -176.40065
   74    72 S   O2Z  _O38    76     1.26267   116.36114     4.94518
   75    68 S   OH   _O40    77     1.43908   106.68624  -168.10337
   76    75 S   HO   _H20    78     0.97414   107.06362  -175.62422
   77    49 S   CT   _C19    70     1.53742   110.33158    78.42274
   78    77 S   HC   _H5_    71     1.09524   110.18291   -63.10568
   79    77 S   OH   _O37    72     1.42621   109.51783    54.01872
   80    79 S   HO   _H19    73     0.97284   107.76616   177.70697
  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   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3  10   7
  16   8   9   3   1  13   7   3   1   4  14   6   5   3   1   3
   2   1   1  11  11   6   5   5   2   1   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    56    57    39    40    43    44    47  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    56    57    58    39    40    43  
   40    43    44    47    49    41    56  
   43    44    47  
   42    45    46    48    51    56    57    52  
   45    46    48    56  
   44    47    49    50    54    77  
   47    49  
   46    48    51    56    58    52    53  
   48    51    52  
   49    50    54    55    59    69    77    78    79    62  
   51    56    57    58    64    52    53  
   50    54    55    59    60    61    68    69    70    71    77    78    79    80    62    63  
   54    55    59    69    77    78    79    62  
   56    57    58    64    65    66    67    52    53  
   53    56    58  
    0  
   55    59    60    61    68    69    77    78    79    72    75    62    63  
   59    60    61    68    77    62    63  
   57    58    64  
   58  
   64    65    66    67  
   60    61    68    69    70    71    77    72    73    74    75    76    62    63  
   61    68    69    72    75    62  
   68    69    72    75    62  
   63    68    77  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    77    78    79    72    73    74    75    76  
   70    71    77    78    79    80    72    73    74    75    76  
   71    77    78    79    72    75  
   77    78    79    72    75  
   73    74    75    76    77  
   74    75  
   75  
   76    77  
    0  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   317.000  1.510
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    56   469.000  1.400
   51    58   450.000  1.364
   56    57   367.000  1.080
   58    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    77   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   268.000  1.529
   68    69   268.000  1.529
   68    72   317.000  1.522
   68    75   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   320.000  1.410
   79    80   553.000  0.945
   72    73   656.000  1.250
   72    74   656.000  1.250
   75    76   553.000  0.945
   62    63   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    58    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    56    57    35.00000  120.00000
   51    58    64    75.00000  111.00000
   56    38    41    63.00000  120.00000
   58    51    56    70.00000  120.00000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    50.00000  109.50000
   47    49    77    50.00000  109.50000
   49    54    55    37.50000  110.70000
   49    54    59    58.35000  112.70000
   49    54    62    50.00000  109.50000
   49    77    69    58.35000  112.70000
   49    77    78    37.50000  110.70000
   49    77    79    50.00000  109.50000
   54    49    50    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    68    58.35000  112.70000
   54    62    63    55.00000  108.50000
   59    54    55    37.50000  110.70000
   59    68    69    58.35000  112.70000
   59    68    72    70.00000  109.69300
   59    68    75    50.00000  109.50000
   61    59    60    33.00000  107.80000
   68    59    60    37.50000  110.70000
   68    59    61    37.50000  110.70000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    77    58.35000  112.70000
   68    72    73    70.00000  117.00000
   68    72    74    70.00000  117.00000
   68    75    76    55.00000  108.50000
   69    77    78    37.50000  110.70000
   69    77    79    50.00000  109.50000
   71    69    70    33.00000  107.80000
   77    49    50    37.50000  110.70000
   77    49    54    58.35000  112.70000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    79    80    55.00000  108.50000
   79    77    78    35.00000  109.50000
   72    68    69    70.00000  109.69300
   74    72    73    80.00000  126.00000
   75    68    69    50.00000  109.50000
   75    68    72    95.00000  109.52300
   62    54    55    35.00000  109.50000
   62    54    59    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -56    38   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    58    64   1.63200 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    58    64    65   0.08050  1.0 3.0
   51    58    64    66   0.08050  1.0 3.0
   51    58    64    67   0.08050  1.0 3.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    51    58    64   1.63200 -1.0 2.0
   58    51    56    38   3.62500 -1.0 2.0
   58    51    56    57   3.62500 -1.0 2.0
   52    48    51    56   3.62500 -1.0 2.0
   52    48    51    58   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    77  -0.46850  1.0 1.0
   43    47    49    77   0.09300 -1.0 2.0
   43    47    49    77  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    59   0.62750  1.0 1.0
   47    49    54    59  -0.30950 -1.0 2.0
   47    49    54    59   0.27300  1.0 3.0
   47    49    54    62   3.69350  1.0 1.0
   47    49    54    62  -1.82950 -1.0 2.0
   47    49    77    69   0.62750  1.0 1.0
   47    49    77    69  -0.30950 -1.0 2.0
   47    49    77    69   0.27300  1.0 3.0
   47    49    77    78   0.23400  1.0 3.0
   47    49    77    79   3.69350  1.0 1.0
   47    49    77    79  -1.82950 -1.0 2.0
   49    54    59    60   0.15000  1.0 3.0
   49    54    59    61   0.15000  1.0 3.0
   49    54    59    68   0.56750  1.0 1.0
   49    54    59    68  -0.07550 -1.0 2.0
   49    54    59    68   0.20000  1.0 3.0
   49    54    62    63  -0.11600  1.0 1.0
   49    54    62    63  -0.09450 -1.0 2.0
   49    54    62    63   0.21250  1.0 3.0
   49    77    79    80  -0.11600  1.0 1.0
   49    77    79    80  -0.09450 -1.0 2.0
   49    77    79    80   0.21250  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   50    49    54    62   0.23400  1.0 3.0
   50    49    77    69   0.15000  1.0 3.0
   50    49    77    78   0.15000  1.0 3.0
   50    49    77    79   0.23400  1.0 3.0
   54    49    77    69   0.56750  1.0 1.0
   54    49    77    69  -0.07550 -1.0 2.0
   54    49    77    69   0.20000  1.0 3.0
   54    49    77    78   0.15000  1.0 3.0
   54    49    77    79   0.86500  1.0 1.0
   54    49    77    79  -0.17500 -1.0 2.0
   54    49    77    79   0.20800  1.0 3.0
   54    59   -68    69   0.56750  1.0 1.0
   54    59   -68    69  -0.07550 -1.0 2.0
   54    59   -68    69   0.20000  1.0 3.0
   54    59    68    72  -1.63150  1.0 1.0
   54    59    68    72  -0.43550 -1.0 2.0
   54    59    68    72   0.24500  1.0 3.0
   54    59    68    75   0.86500  1.0 1.0
   54    59    68    75  -0.17500 -1.0 2.0
   54    59    68    75   0.20800  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    68   0.15000  1.0 3.0
   55    54    62    63   0.19450  1.0 3.0
   59    54    62    63  -0.11600  1.0 1.0
   59    54    62    63  -0.09450 -1.0 2.0
   59    54    62    63   0.21250  1.0 3.0
   59    68    69    70   0.15000  1.0 3.0
   59    68    69    71   0.15000  1.0 3.0
   59    68    69    77   0.56750  1.0 1.0
   59    68    69    77  -0.07550 -1.0 2.0
   59    68    69    77   0.20000  1.0 3.0
   59    68    72    73   0.41150 -1.0 2.0
   59    68    72    74   0.41150 -1.0 2.0
   59    68    75    76  -0.11600  1.0 1.0
   59    68    75    76  -0.09450 -1.0 2.0
   59    68    75    76   0.21250  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    72  -0.11250  1.0 3.0
   60    59    68    75   0.23400  1.0 3.0
   61    59    68    69   0.15000  1.0 3.0
   61    59    68    72  -0.11250  1.0 3.0
   61    59    68    75   0.23400  1.0 3.0
   68    69   -77    49   0.56750  1.0 1.0
   68    69   -77    49  -0.07550 -1.0 2.0
   68    69   -77    49   0.20000  1.0 3.0
   68    69    77    78   0.15000  1.0 3.0
   68    69    77    79   0.86500  1.0 1.0
   68    69    77    79  -0.17500 -1.0 2.0
   68    69    77    79   0.20800  1.0 3.0
   69    68    72    73   0.41150 -1.0 2.0
   69    68    72    74   0.41150 -1.0 2.0
   69    68    75    76  -0.11600  1.0 1.0
   69    68    75    76  -0.09450 -1.0 2.0
   69    68    75    76   0.21250  1.0 3.0
   69    77    79    80  -0.11600  1.0 1.0
   69    77    79    80  -0.09450 -1.0 2.0
   69    77    79    80   0.21250  1.0 3.0
   70    69    77    49   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.23400  1.0 3.0
   71    69    77    49   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.23400  1.0 3.0
   77    49    54    55   0.15000  1.0 3.0
   77    49   -54    59   0.56750  1.0 1.0
   77    49   -54    59  -0.07550 -1.0 2.0
   77    49   -54    59   0.20000  1.0 3.0
   77    49    54    62   0.86500  1.0 1.0
   77    49    54    62  -0.17500 -1.0 2.0
   77    49    54    62   0.20800  1.0 3.0
   78    77    79    80   0.19450  1.0 3.0
   72    68    69    70  -0.11250  1.0 3.0
   72    68    69    71  -0.11250  1.0 3.0
   72    68    69    77  -1.63150  1.0 1.0
   72    68    69    77  -0.43550 -1.0 2.0
   72    68    69    77   0.24500  1.0 3.0
   72    68    75    76   0.91850  1.0 1.0
   72    68    75    76   0.57950  1.0 3.0
   75    68    69    70   0.23400  1.0 3.0
   75    68    69    71   0.23400  1.0 3.0
   75    68    69    77   0.86500  1.0 1.0
   75    68    69    77  -0.17500 -1.0 2.0
   75    68    69    77   0.20800  1.0 3.0
   75    68    72    73   0.30150 -1.0 2.0
   75    68    72    74   0.30150 -1.0 2.0
   62    54    59    60   0.23400  1.0 3.0
   62    54    59    61   0.23400  1.0 3.0
   62    54    59    68   0.86500  1.0 1.0
   62    54    59    68  -0.17500 -1.0 2.0
   62    54    59    68   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
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   56    58    51    48   4.00000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   73    68    72    74  10.50000 -1.0 2.0
END
