* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    155    231     454
    1     0 S   NP   _N1_     1    29.02769    94.20466   -24.58523
    2     1 S   H    _HN1     2     1.02786   112.35615   -85.53770
    3     1 S   H    _H1_     3     1.02950    79.79811    20.25069
    4     1 S   H    _H2_     4     1.02828    27.87715  -171.67692
    5     1 S   CT   _CA1     5     1.50112   127.55807   128.22343
    6     5 S   HC   _HA1     6     1.09573   105.19548    84.93332
    7     5 S   CO3  _C1_     7     1.53787   112.44841   -35.30513
    8     7 S   O2Z  _O11     8     1.26372   115.00676   -42.85332
    9     7 S   O2Z  _O12     9     1.26238   114.94405   136.27130
   10     5 S   CT   _CB1    10     1.53082   107.42319  -157.08464
   11    10 S   HC   HB11    11     1.09833   109.37634   -49.70137
   12    10 S   HC   HB12    12     1.09813   110.44915    66.90623
   13    10 S   CT   _CG1    13     1.52993   112.60510  -170.67677
   14    13 S   HC   HG11    14     1.09581   110.63541   -65.63542
   15    13 S   HC   HG12    15     1.09670   109.78412    53.59676
   16    13 S   C    _CD1    16     1.51797   112.20980   174.05710
   17    16 S   O    _OE1    17     1.22741   123.28475     7.28621
   18    16 S   N    _N2_    18     1.38658   111.69216  -172.85263
   19    18 S   H    _HN2    19     1.01582   118.99388     1.50402
   20    18 S   CT1  _CA2    20     1.46135   123.31480   177.48923
   21    20 S   HC   _HA2    21     1.09739   109.28494     2.03490
   22    20 S   C    _C2_    22     1.53523   108.61738  -113.22645
   23    22 S   O    _O2_    23     1.23050   122.34909  -147.15380
   24    20 S   CT   _CB2    32     1.53386   111.81270   123.93326
   25    24 S   HC   HB21    33     1.09597   110.22363    55.91385
   26    24 S   HC   HB22    34     1.09313   109.60590   174.04086
   27    22 S   N    _N3_    24     1.38344   113.62073    40.37338
   28    27 S   H    _HN3    25     1.01587   119.58965    -3.50520
   29    24 S   S    _SG2    35     1.83535   111.22430   -63.63500
   30    27 S   CT   _CA3    26     1.45278   123.19454   176.93656
   31    30 S   HC   HA31    27     1.09552   107.53452   -63.71400
   32    30 S   HC   HA32    28     1.09556   107.95329    52.71865
   33    29 S   CT   _C10    36     1.91997   102.87445  -141.83645
   34    30 S   CO3  _C3_    29     1.52956   114.08159   174.68644
   35    34 S   O2Z  _O31    30     1.26376   116.07002    -0.93041
   36    34 S   O2Z  _O32    31     1.26427   114.41401   179.12464
   37    33 S   CT   _C5_    37     1.57763   104.59052   -60.78501
   38    37 S   HC   _H3_    38     1.09671   108.93625    43.97859
   39    33 S   CM   _C11    60     1.53926   109.29362    59.03578
   40    39 S   HC   _H11    61     1.08638   113.89202  -156.33123
   41    37 S   CO4  _C6_    39     1.52329   111.30291   -71.81118
   42    41 S   O    _O33    40     1.23181   121.21179   135.33269
   43    37 S   CT   _C4_    56     1.53300   118.90974   161.72581
   44    43 S   HC   _H4_    57     1.08817   113.72294    58.61532
   45    43 S   HC   _H5_    58     1.09396   111.56983   -64.59880
   46    43 S   HC   _H6_    59     1.09723   110.02645   177.50951
   47    39 S   CM   _C12    62     1.34703   129.05572    26.55198
   48    47 S   HC   _H12    63     1.08770   118.51557     0.32082
   49    41 S   CT   _C7_    41     1.50591   117.53239   -49.40700
   50    49 S   HC   _H7_    42     1.09584   108.64915   173.33632
   51    49 S   HC   _H8_    43     1.09379   108.81443   -70.21091
   52    47 S   CM   _C13    64     1.46790   126.93762   179.58599
   53    49 S   CT   _C8_    44     1.51966   110.60391    53.34331
   54    53 S   HC   _H9_    45     1.09742   108.61337    68.44966
   55    53 S   HC   _H10    46     1.09800   108.55194  -177.30020
   56    52 S   CM   _C14    65     1.35091   118.06551   179.19594
   57    56 S   HC   _H13    66     1.09094   118.25855     0.02798
   58    52 S   CT   _C21    83     1.50832   117.38628    -0.56510
   59    58 S   HC   _H23    84     1.09585   110.45820   -60.47179
   60    58 S   HC   _H24    85     1.09586   110.48693    59.92234
   61    58 S   HC   _H25    86     1.09173   113.89455   179.72094
   62    33 S   CT   _C9_    47     1.60879   108.12295   178.75904
   63    56 S   CM   _C15    67     1.45107   127.77182  -179.84298
   64    63 S   HC   _H14    68     1.08300   117.68020    -0.29074
   65    62 S   CT   _C22    48     1.55784   112.85592   -52.75846
   66    65 S   HC   _H26    49     1.09421   111.87088   -59.45343
   67    65 S   HC   _H27    50     1.09734   110.71464  -178.43564
   68    65 S   HC   _H28    51     1.09356   112.88989    62.95340
   69    62 S   CT   _C23    52     1.55266   113.17858  -171.18049
   70    69 S   HC   _H29    53     1.09458   112.08010    57.35741
   71    69 S   HC   _H30    54     1.08810   113.29814   -65.45451
   72    69 S   HC   _H31    55     1.09752   110.64353   176.12116
   73    63 S   CM   _C16    69     1.34455   122.51553   179.60983
   74    73 S   HC   _H15    70     1.09023   117.96629    -0.13988
   75    73 S   CM   _C17    71     1.46605   126.71786  -179.92338
   76    75 S   CM   _C18    72     1.34980   118.46866   179.08743
   77    76 S   HC   _H16    73     1.09059   118.38962     0.60652
   78    75 S   CT   _C20    79     1.50667   117.59925    -1.19452
   79    78 S   HC   _H20    80     1.09564   110.50217    62.85718
   80    78 S   HC   _H21    81     1.09167   113.66429  -176.94328
   81    78 S   HC   _H22    82     1.09591   110.55344   -57.56140
   82    76 S   CT   _C19    74     1.49630   128.55196  -179.51543
   83    82 S   HC   _H17    75     1.09449   109.53617  -114.16424
   84    82 S   HC   _H18    76     1.09053   114.00576     7.93934
   85    82 S   OH   _O34    77     1.42271   108.27186   127.91091
   86    85 S   HO   _H19    78     0.97230   107.00042   178.00276
  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
  26   2   1   1  17   9  12   4  12   5   5   2   1   1  10   3
   8   5   4   9  11   4   3  10   4   4   2   1   1   8   6   3
   7   3   2   1   3   2   1   1   9   3  10  10   5   4   2   1
   1   4   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    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    53    62    65    69    43    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    49    53    54    55    62    65    66    67    68    69    70    71    72    43    44    45    46    39    40    47    48    52  
   35    36  
   36  
    0  
   38    41    42    49    50    51    53    62    65    69    43    44    45    46    39    40    47  
   41    42    49    62    43    44    45    46    39  
   40    47    48    52    56    58    41    43    53    62    65    69  
   47    48    52    62  
   42    49    50    51    53    54    55    62    43    44    45    46  
   49    50    51    53    43  
   44    45    46    49    62  
   45    46  
   46  
    0  
   48    52    56    57    63    58    59    60    61    62  
   52    56    58  
   50    51    53    54    55    62    65    69  
   51    53    54    55    62  
   53    54    55    62  
   56    57    63    64    73    58    59    60    61  
   54    55    62    65    66    67    68    69    70    71    72  
   55    62    65    69  
   62    65    69  
   57    63    64    73    74    75    58    59    60    61  
   63    64    73    58  
   59    60    61    63  
   60    61  
   61  
    0  
   65    66    67    68    69    70    71    72  
   64    73    74    75    76    78  
   73    74    75  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    85    78    79    80    81  
   77    82    83    84    85    86    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   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    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    62   268.000  1.529
   33    39   317.000  1.510
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   268.000  1.529
   41    42   570.000  1.229
   41    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    65   268.000  1.529
   62    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.080
   39    47   549.000  1.340
   47    48   340.000  1.080
   47    52   380.000  1.444
   52    56   549.000  1.340
   52    58   317.000  1.510
   56    57   340.000  1.080
   56    63   380.000  1.444
   63    64   340.000  1.080
   63    73   549.000  1.340
   73    74   340.000  1.080
   73    75   380.000  1.444
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   320.000  1.410
   85    86   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    62    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    58.35000  112.70000
   33    62    53    58.35000  112.70000
   33    62    65    58.35000  112.70000
   33    62    69    58.35000  112.70000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   37    41    42    80.00000  120.40000
   37    41    49    70.00000  116.00000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    53    63.00000  111.10000
   49    41    42    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    62    65    58.35000  112.70000
   53    62    69    58.35000  112.70000
   55    53    54    33.00000  107.80000
   62    33    37    58.35000  112.70000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    62    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    62    70.00000  112.02700
   39    47    48    35.00000  120.00000
   39    47    52    70.00000  123.01800
   47    39    40    35.00000  120.00000
   47    52    56    70.00000  123.01800
   47    52    58    70.00000  124.00000
   52    47    48    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    63    70.00000  123.01800
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   56    63    64    35.00000  120.00000
   56    63    73    70.00000  123.01800
   63    56    57    35.00000  120.00000
   63    73    74    35.00000  120.00000
   63    73    75    70.00000  123.01800
   73    63    64    35.00000  120.00000
   73    75    76    70.00000  123.01800
   73    75    78    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    90.00000  110.39200
   82    76    77    35.00000  117.00000
   82    85    86    55.00000  108.50000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   58    52    56    70.00000  124.00000
   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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    62    53   0.44750  1.0 1.0
   29    33    62    53  -0.17800 -1.0 2.0
   29    33    62    53   0.20200  1.0 3.0
   29    33    62    65   0.44750  1.0 1.0
   29    33    62    65  -0.17800 -1.0 2.0
   29    33    62    65   0.20200  1.0 3.0
   29    33    62    69   0.44750  1.0 1.0
   29    33    62    69  -0.17800 -1.0 2.0
   29    33    62    69   0.20200  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    49   0.60050  1.0 1.0
   33    37    41    49   0.05600 -1.0 2.0
   33    37    41    49   0.26150  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    62    65    66   0.15000  1.0 3.0
   33    62    65    67   0.15000  1.0 3.0
   33    62    65    68   0.15000  1.0 3.0
   33    62    69    70   0.15000  1.0 3.0
   33    62    69    71   0.15000  1.0 3.0
   33    62    69    72   0.15000  1.0 3.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    52   7.00000 -1.0 2.0
   37    33    62    53   0.56750  1.0 1.0
   37    33    62    53  -0.07550 -1.0 2.0
   37    33    62    53   0.20000  1.0 3.0
   37    33    62    65   0.56750  1.0 1.0
   37    33    62    65  -0.07550 -1.0 2.0
   37    33    62    65   0.20000  1.0 3.0
   37    33    62    69   0.56750  1.0 1.0
   37    33    62    69  -0.07550 -1.0 2.0
   37    33    62    69   0.20000  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47   0.09850  1.0 1.0
   37    33    39    47   0.15250 -1.0 2.0
   37    33    39    47  -0.50650  1.0 3.0
   37    41    49    50   0.00000  1.0 1.0
   37    41    49    51   0.00000  1.0 1.0
   37    41   -49    53   0.60050  1.0 1.0
   37    41   -49    53   0.05600 -1.0 2.0
   37    41   -49    53   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    49   0.00000  1.0 1.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   41    37    43    44  -0.11250  1.0 3.0
   41    37    43    45  -0.11250  1.0 3.0
   41    37    43    46  -0.11250  1.0 3.0
   41    49    53    54  -0.11250  1.0 3.0
   41    49    53    55  -0.11250  1.0 3.0
   41    49    53    62  -0.95700  1.0 1.0
   41    49    53    62  -0.18200 -1.0 2.0
   41    49    53    62   0.29450  1.0 3.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    53   0.30150 -1.0 2.0
   49    53   -62    33   0.56750  1.0 1.0
   49    53   -62    33  -0.07550 -1.0 2.0
   49    53   -62    33   0.20000  1.0 3.0
   49    53    62    65   0.56750  1.0 1.0
   49    53    62    65  -0.07550 -1.0 2.0
   49    53    62    65   0.20000  1.0 3.0
   49    53    62    69   0.56750  1.0 1.0
   49    53    62    69  -0.07550 -1.0 2.0
   49    53    62    69   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    62   0.15000  1.0 3.0
   53    62    65    66   0.15000  1.0 3.0
   53    62    65    67   0.15000  1.0 3.0
   53    62    65    68   0.15000  1.0 3.0
   53    62    69    70   0.15000  1.0 3.0
   53    62    69    71   0.15000  1.0 3.0
   53    62    69    72   0.15000  1.0 3.0
   54    53    62    33   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   54    53    62    69   0.15000  1.0 3.0
   55    53    62    33   0.15000  1.0 3.0
   55    53    62    65   0.15000  1.0 3.0
   55    53    62    69   0.15000  1.0 3.0
   62    33    37    38   0.15000  1.0 3.0
   62    33   -37    41  -0.95700  1.0 1.0
   62    33   -37    41  -0.18200 -1.0 2.0
   62    33   -37    41   0.29450  1.0 3.0
   62    33    37    43   0.56750  1.0 1.0
   62    33    37    43  -0.07550 -1.0 2.0
   62    33    37    43   0.20000  1.0 3.0
   62    33    39    40   0.00000  1.0 1.0
   62    33    39    47   0.09850  1.0 1.0
   62    33    39    47   0.15250 -1.0 2.0
   62    33    39    47  -0.50650  1.0 3.0
   65    62    69    70   0.15000  1.0 3.0
   65    62    69    71   0.15000  1.0 3.0
   65    62    69    72   0.15000  1.0 3.0
   69    62    65    66   0.15000  1.0 3.0
   69    62    65    67   0.15000  1.0 3.0
   69    62    65    68   0.15000  1.0 3.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    49   0.60050  1.0 1.0
   43    37    41    49   0.05600 -1.0 2.0
   43    37    41    49   0.26150  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.98800  1.0 1.0
   39    33    37    41   0.48800 -1.0 2.0
   39    33    37    41   0.76800  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  1.0 3.0
   39    33    62    53   0.34400  1.0 1.0
   39    33    62    53   0.09450 -1.0 2.0
   39    33    62    53   0.11100  1.0 3.0
   39    33    62    65   0.34400  1.0 1.0
   39    33    62    65   0.09450 -1.0 2.0
   39    33    62    65   0.11100  1.0 3.0
   39    33    62    69   0.34400  1.0 1.0
   39    33    62    69   0.09450 -1.0 2.0
   39    33    62    69   0.11100  1.0 3.0
   39    47    52    56   0.28850  1.0 1.0
   39    47    52    56   2.61350 -1.0 2.0
   39    47    52    56   0.78400  1.0 3.0
   39    47    52    58  -0.18600  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    52   7.00000 -1.0 2.0
   47    52    56    57   7.00000 -1.0 2.0
   47    52    56    63   7.00000 -1.0 2.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    60   0.00000  1.0 1.0
   47    52    58    61   0.00000  1.0 1.0
   48    47    52    56  -0.18600  1.0 3.0
   48    47    52    58   0.00000  1.0 1.0
   52    56    63    64  -0.18600  1.0 3.0
   52    56    63    73   0.28850  1.0 1.0
   52    56    63    73   2.61350 -1.0 2.0
   52    56    63    73   0.78400  1.0 3.0
   56    52    58    59   0.00000  1.0 1.0
   56    52    58    60   0.00000  1.0 1.0
   56    52    58    61   0.00000  1.0 1.0
   56    63    73    74   7.00000 -1.0 2.0
   56    63    73    75   7.00000 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    73  -0.18600  1.0 3.0
   63    73    75    76   0.28850  1.0 1.0
   63    73    75    76   2.61350 -1.0 2.0
   63    73    75    76   0.78400  1.0 3.0
   63    73    75    78  -0.18600  1.0 3.0
   64    63    73    74   7.00000 -1.0 2.0
   64    63    73    75   7.00000 -1.0 2.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.00000  1.0 1.0
   73    75    78    80   0.00000  1.0 1.0
   73    75    78    81   0.00000  1.0 1.0
   74    73    75    76  -0.18600  1.0 3.0
   74    73    75    78   0.00000  1.0 1.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    84   0.00000  1.0 1.0
   75    76    82    85   0.67800  1.0 1.0
   75    76    82    85   0.47050 -1.0 2.0
   75    76    82    85  -0.62500  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   76    82    85    86  -0.07800  1.0 1.0
   76    82    85    86  -0.21500 -1.0 2.0
   76    82    85    86  -0.03150  1.0 3.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.33100  1.0 3.0
   77    76    82    85   0.00000  1.0 1.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   58    52    56    57   7.00000 -1.0 2.0
   58    52    56    63   7.00000 -1.0 2.0
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
   37    49    41    42  10.50000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   52    48    47    39  15.00000 -1.0 2.0
   47    58    52    56  15.00000 -1.0 2.0
   63    57    56    52  15.00000 -1.0 2.0
   56    64    63    73  15.00000 -1.0 2.0
   75    74    73    63  15.00000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
END
