* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    227     430
    1     0 S   NP   _N1_     1    28.63662    94.93631   -25.18459
    2     1 S   H    _HN1     2     1.02956    81.17617    -2.95936
    3     1 S   H    _H1_     3     1.02835    26.40006   165.49123
    4     1 S   H    _H2_     4     1.02776   112.39488  -109.26236
    5     1 S   CT   _CA1     5     1.50116   126.64975   105.94521
    6     5 S   HC   _HA1     6     1.09573   105.21694    83.37131
    7     5 S   CO3  _C1_     7     1.53797   112.40807   -36.85844
    8     7 S   O2Z  _O11     8     1.26369   114.99931   -42.87057
    9     7 S   O2Z  _O12     9     1.26235   114.93669   136.29033
   10     5 S   CT   _CB1    10     1.53097   107.43590  -158.65604
   11    10 S   HC   HB11    11     1.09828   109.38520   -50.01329
   12    10 S   HC   HB12    12     1.09816   110.41476    66.57455
   13    10 S   CT   _CG1    13     1.52999   112.63453  -171.04364
   14    13 S   HC   HG11    14     1.09589   110.53867   -64.34838
   15    13 S   HC   HG12    15     1.09664   109.89647    54.86912
   16    13 S   C    _CD1    16     1.51800   112.31611   175.29968
   17    16 S   O    _OE1    17     1.22735   123.40002     2.32288
   18    16 S   N    _N2_    18     1.38607   111.68879  -177.57029
   19    18 S   H    _HN2    19     1.01590   119.08359     0.61326
   20    18 S   CT1  _CA2    20     1.46121   122.69073   179.53648
   21    20 S   HC   _HA2    21     1.09754   108.36809    31.47113
   22    20 S   C    _C2_    22     1.53166   110.02687   -84.79020
   23    22 S   O    _O2_    23     1.23123   120.90068   156.60486
   24    20 S   CT   _CB2    32     1.53380   111.53314   154.01771
   25    24 S   HC   HB21    33     1.09394   109.88371    55.39648
   26    24 S   HC   HB22    34     1.09504   109.79150   174.21345
   27    22 S   N    _N3_    24     1.38132   114.51770   -30.31688
   28    27 S   H    _HN3    25     1.01548   119.22916     5.68603
   29    24 S   S    _SG2    35     1.83088   110.28675   -66.29937
   30    27 S   CT   _CA3    26     1.45359   123.60480   179.96574
   31    30 S   HC   HA31    27     1.09533   106.97660   -86.44667
   32    30 S   HC   HA32    28     1.09454   109.20655    29.99834
   33    29 S   CT   _C5_    36     1.85861   102.32306   167.36298
   34    30 S   CO3  _C3_    29     1.52863   113.40860   153.99660
   35    34 S   O2Z  _O31    30     1.26377   115.71569    27.31345
   36    34 S   O2Z  _O32    31     1.26374   114.69894  -152.70862
   37    33 S   CT   _C4_    37     1.53323   110.27856    50.75385
   38    37 S   HC   _H4_    38     1.09346   111.83582   -70.36140
   39    37 S   HC   _H5_    39     1.09622   111.77131    51.11819
   40    37 S   HC   _H6_    40     1.09568   111.08711   170.19019
   41    33 S   CT   _C6_    41     1.53918   105.39456   168.21709
   42    41 S   HC   _H7_    42     1.09652   111.79158    63.33747
   43    41 S   HC   _H8_    43     1.09694   111.74022   -57.91533
   44    41 S   HC   _H9_    44     1.09593   111.23578  -176.80665
   45    33 S   CT   _C7_    45     1.54143   108.41515   -73.04193
   46    45 S   HC   _H10    46     1.09851   111.08300   -55.94548
   47    45 S   HC   _H11    47     1.09664   111.95649    61.70715
   48    45 S   CO4  _C8_    48     1.51334   113.88161  -176.19327
   49    48 S   O    _O33    49     1.22264   123.65541    88.23194
   50    48 S   OS   _O34    50     1.35903   109.53540   -91.33911
   51    50 S   CT   _C9_    51     1.45651   122.72102   179.90513
   52    51 S   CT   _C12    52     1.56405   106.38874  -179.61033
   53    52 S   HC   _H3_    53     1.09808   108.42461   175.06759
   54    51 S   CT   _C10    73     1.53690   110.49368   -60.66103
   55    54 S   HC   _H12    74     1.09473   111.63786    70.82399
   56    54 S   HC   _H13    75     1.09437   111.67333   -47.78577
   57    54 S   HC   _H14    76     1.09518   111.26029  -169.44475
   58    51 S   CT   _C11    77     1.53726   110.05443    61.73534
   59    58 S   HC   _H15    78     1.09467   111.71475   -70.44318
   60    58 S   HC   _H16    79     1.09548   111.28349    48.12280
   61    58 S   HC   _H17    80     1.09520   111.22793   169.59089
   62    52 S   CT   _C13    54     1.54455   114.96077    52.86859
   63    62 S   HC   _H18    55     1.09544   110.44967   140.02263
   64    62 S   HC   _H19    56     1.09153   113.98041    16.57704
   65    62 S   CA   _C14    57     1.47812   100.16486  -104.43071
   66    65 S   CA   _C15    58     1.38206   109.62381   -12.57419
   67    66 S   CA   _C16    59     1.38293   122.04994  -177.87348
   68    67 S   HA   _H20    60     1.08452   121.20641   179.93147
   69    52 S   OS   _O37    72     1.46003   109.72447   -69.02197
   70    67 S   CA   _C17    61     1.39884   118.14815    -0.49099
   71    70 S   HA   _H21    62     1.08781   118.99376  -179.75134
   72    70 S   CA   _C18    63     1.40574   120.47511     0.12972
   73    65 S   CA   _C19    64     1.38069   130.52621   169.34148
   74    73 S   OS   _O35    65     1.40398   118.87932    -2.82036
   75    74 S   CO4  _C20    66     1.39052   121.24418  -177.79247
   76    75 S   O    _O36    67     1.22611   121.97124   178.10411
   77    75 S   CM   _C21    68     1.47429   116.92023    -2.33548
   78    77 S   HC   _H22    69     1.08433   117.19654  -178.51496
   79    72 S   CM   _C22    70     1.45271   122.00504  -179.89721
   80    79 S   HC   _H23    71     1.08373   118.99730    -1.51827
  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  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2  13  16  17   8   9   3   2   1   5   2   1   1   9   5   4
  10   8   7   4   2   7   3   7   6   5   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    54    58  
   50    51  
   51    52    53    62    69    54    55    56    57    58    59    60    61  
   52    53    62    63    64    65    66    69    54    55    56    57    58    59    60    61  
   53    62    63    64    65    66    67    73    69    54    55    56    57    58    59    60    61  
   62    63    64    65    66    69    54    58  
   55    56    57    58    59    60    61    62    69  
   56    57    58  
   57    58  
   58  
   59    60    61    62    69  
   60    61  
   61  
    0  
   63    64    65    66    67    72    73    74    69  
   64    65    66    73    69  
   65    66    73    69  
   66    67    68    70    72    73    74    75    79    69  
   67    68    70    71    72    73    74    69  
   68    70    71    72    73    79    69  
   70    71    72    69  
   70    73  
   71    72    73    74    77    79    80  
   72    73    79  
   73    74    75    77    78    79    80  
   74    75    76    77    79    80  
   75    76    77    78    79  
   76    77    78    79    80  
   77    78    79  
   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   0.167500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   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    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   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   268.000  1.529
   51    54   268.000  1.529
   51    58   268.000  1.529
   52    53   340.000  1.090
   52    62   268.000  1.529
   52    69   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   469.000  1.400
   65    73   469.000  1.400
   66    67   469.000  1.400
   66    69   450.000  1.364
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    79   320.000  1.460
   73    74   450.000  1.364
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    50.00000  109.50000
   50    51    54    50.00000  109.50000
   50    51    58    50.00000  109.50000
   51    52    53    37.50000  110.70000
   51    52    62    58.35000  112.70000
   51    52    69    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    65    70.00000  112.17500
   52    69    66    75.00000  111.00000
   62    52    53    37.50000  110.70000
   62    65    66    70.00000  120.00000
   62    65    73    70.00000  120.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    67    63.00000  120.00000
   65    66    69    70.00000  120.00000
   65    73    72    63.00000  120.00000
   65    73    74    70.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    70    63.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    72    63.00000  120.00000
   70    67    68    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    79    60.00000  120.93500
   72    70    71    35.00000  120.00000
   72    73    74    70.00000  120.00000
   72    79    77    60.00000  123.20500
   72    79    80    40.00000  117.26300
   73    65    66    63.00000  120.00000
   73    74    75    85.00000  115.98000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    40.00000  117.72500
   75    77    79    65.00000  118.96000
   77    75    76    80.00000  123.72100
   77    79    80    35.00000  120.00000
   79    72    73    60.00000  120.93500
   79    77    78    35.00000  120.00000
   69    52    53    35.00000  109.50000
   69    52    62    50.00000  109.50000
   69    66    67    70.00000  120.00000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    52    58.35000  112.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52  -0.25900  1.0 1.0
   48    50    51    52  -0.47000 -1.0 2.0
   48    50    51    52   0.11750  1.0 3.0
   48    50    51    54  -0.25900  1.0 1.0
   48    50    51    54  -0.47000 -1.0 2.0
   48    50    51    54   0.11750  1.0 3.0
   48    50    51    58  -0.25900  1.0 1.0
   48    50    51    58  -0.47000 -1.0 2.0
   48    50    51    58   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    52    53   0.23400  1.0 3.0
   50    51    52    62   0.62750  1.0 1.0
   50    51    52    62  -0.30950 -1.0 2.0
   50    51    52    62   0.27300  1.0 3.0
   50    51    52    69   1.11900  1.0 1.0
   50    51    52    69  -1.16350 -1.0 2.0
   50    51    52    69  -0.34150  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    56   0.23400  1.0 3.0
   50    51    54    57   0.23400  1.0 3.0
   50    51    58    59   0.23400  1.0 3.0
   50    51    58    60   0.23400  1.0 3.0
   50    51    58    61   0.23400  1.0 3.0
   51    52    62    63   0.15000  1.0 3.0
   51    52    62    64   0.15000  1.0 3.0
   51    52    62    65  -0.03700  1.0 1.0
   51    52    62    65   0.37200 -1.0 2.0
   51    52    62    65  -0.47300  1.0 3.0
   51    52    69    66  -0.32850  1.0 1.0
   51    52    69    66  -0.35800 -1.0 2.0
   51    52    69    66   0.33950  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   52    62   -65    66   0.04150 -1.0 2.0
   52    62    65    73   0.04150 -1.0 2.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.15000  1.0 3.0
   53    52    62    65   0.43200  1.0 3.0
   53    52    69    66   0.08050  1.0 3.0
   62    52   -69    66  -0.32850  1.0 1.0
   62    52   -69    66  -0.35800 -1.0 2.0
   62    52   -69    66   0.33950  1.0 3.0
   62    65    66    67   3.62500 -1.0 2.0
   62    65   -66    69   3.62500 -1.0 2.0
   62    65    73    72   3.62500 -1.0 2.0
   62    65    73    74   3.62500 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    73   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    73   0.00000  1.0 1.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    67    70   3.62500 -1.0 2.0
   65    66   -69    52   1.63200 -1.0 2.0
   65    73    74    75   0.01300  1.0 1.0
   65    73    74    75   0.97950 -1.0 2.0
   65    73    74    75  -0.55700  1.0 3.0
   66    65    73    72   3.62500 -1.0 2.0
   66    65    73    74   3.62500 -1.0 2.0
   66    67    70    71   3.62500 -1.0 2.0
   66    67   -70    72   3.62500 -1.0 2.0
   67    66    69    52   1.63200 -1.0 2.0
   67    70    72    73   3.62500 -1.0 2.0
   67    70    72    79   3.62500 -1.0 2.0
   68    67    70    71   3.62500 -1.0 2.0
   68    67    70    72   3.62500 -1.0 2.0
   70    72   -73    65   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72    79    77   0.15800  1.0 1.0
   70    72    79    77   1.85350 -1.0 2.0
   70    72    79    77  -0.48700  1.0 3.0
   70    72    79    80   0.56550  1.0 3.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    79   3.62500 -1.0 2.0
   72    73    74    75   0.01300  1.0 1.0
   72    73    74    75   0.97950 -1.0 2.0
   72    73    74    75  -0.55700  1.0 3.0
   73    65   -66    67   3.62500 -1.0 2.0
   73    65    66    69   3.62500 -1.0 2.0
   73    72    79    77   0.15800  1.0 1.0
   73    72    79    77   1.85350 -1.0 2.0
   73    72    79    77  -0.48700  1.0 3.0
   73    72    79    80   0.56550  1.0 3.0
   73    74    75    76   3.00000 -1.0 2.0
   73    74   -75    77   2.00000 -1.0 2.0
   74    75    77    78   1.63100 -1.0 2.0
   74    75    77    79  -0.56150  1.0 1.0
   74    75    77    79   2.19150 -1.0 2.0
   75    77   -79    72   7.00000 -1.0 2.0
   75    77    79    80   7.00000 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   1.00000 -1.0 2.0
   78    77    79    72   7.00000 -1.0 2.0
   78    77    79    80   7.00000 -1.0 2.0
   79    72    73    65   3.62500 -1.0 2.0
   79    72   -73    74   3.62500 -1.0 2.0
   69    52    62    63   0.23400  1.0 3.0
   69    52    62    64   0.23400  1.0 3.0
   69    52   -62    65  -0.64350  1.0 1.0
   69    52   -62    65  -0.04200 -1.0 2.0
   69    52   -62    65   0.19800  1.0 3.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    70   3.62500 -1.0 2.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    62   0.56750  1.0 1.0
   54    51    52    62  -0.07550 -1.0 2.0
   54    51    52    62   0.20000  1.0 3.0
   54    51    52    69   0.62750  1.0 1.0
   54    51    52    69  -0.30950 -1.0 2.0
   54    51    52    69   0.27300  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   58    51    52    53   0.15000  1.0 3.0
   58    51    52    62   0.56750  1.0 1.0
   58    51    52    62  -0.07550 -1.0 2.0
   58    51    52    62   0.20000  1.0 3.0
   58    51    52    69   0.62750  1.0 1.0
   58    51    52    69  -0.30950 -1.0 2.0
   58    51    52    69   0.27300  1.0 3.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    56   0.15000  1.0 3.0
   58    51    54    57   0.15000  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
   45    50    48    49  10.50000 -1.0 2.0
   66    73    65    62   4.00000 -1.0 2.0
   67    69    66    65   4.00000 -1.0 2.0
   70    68    67    66   1.10000 -1.0 2.0
   72    71    70    67   1.10000 -1.0 2.0
   73    79    72    70   4.00000 -1.0 2.0
   72    74    73    65   4.00000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    78    77    79   1.10000 -1.0 2.0
   72    80    79    77   1.10000 -1.0 2.0
END
