* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    130    202     386
    1     0 S   NP   _N1_     1    29.19782    97.39891   -19.52450
    2     1 S   H    _HN1     2     1.02789    72.00839   -78.61420
    3     1 S   H    _H1_     3     1.02956    79.19422    34.82625
    4     1 S   H    _H2_     4     1.02840    56.15229   154.13729
    5     1 S   CT   _CA1     5     1.50103   166.39736   171.33222
    6     5 S   HC   _HA1     6     1.09571   105.29030    44.16433
    7     5 S   CO3  _C1_     7     1.53922   112.12386   -76.09993
    8     7 S   O2Z  _O11     8     1.26342   115.05949   -49.33086
    9     7 S   O2Z  _O12     9     1.26275   115.15794   129.96280
   10     5 S   CT   _CB1    10     1.53209   107.37605   162.10281
   11    10 S   HC   HB11    11     1.09808   109.75287   -49.27827
   12    10 S   HC   HB12    12     1.09811   110.39963    67.52586
   13    10 S   CT   _CG1    13     1.52831   112.22023  -170.21672
   14    13 S   HC   HG11    14     1.09297   110.05857   -58.05533
   15    13 S   HC   HG12    15     1.09640   110.04369    60.79183
   16    13 S   C    _CD1    16     1.51759   112.77816  -178.40468
   17    16 S   O    _OE1    17     1.22699   123.25840    -7.13174
   18    16 S   N    _N2_    18     1.38507   111.41506   173.44884
   19    18 S   H    _HN2    19     1.02003   118.87698     1.92925
   20    18 S   CT1  _CA2    20     1.46079   123.99474  -179.95154
   21    20 S   HC   _HA2    21     1.09731   109.39071    -7.88964
   22    20 S   C    _C2_    22     1.53575   108.42190  -123.31634
   23    22 S   O    _O2_    23     1.23050   122.26915  -148.11507
   24    20 S   CT   _CB2    32     1.53353   111.17503   114.40123
   25    24 S   HC   HB21    33     1.09503   109.98172    52.54425
   26    24 S   HC   HB22    34     1.09509   110.63208   170.64424
   27    22 S   N    _N3_    24     1.38531   113.53224    39.71803
   28    27 S   H    _HN3    25     1.01495   118.86945    -1.95905
   29    24 S   S    _SG2    35     1.82870   111.69753   -71.08341
   30    27 S   CT   _CA3    26     1.45418   123.40814   174.92418
   31    30 S   HC   HA31    27     1.09533   109.07796    27.23037
   32    30 S   HC   HA32    28     1.09493   107.15351   144.17569
   33    29 S   CT   _C8_    36     1.84655   100.30448   130.68747
   34    33 S   HC   _H4_    37     1.09552   108.81227    27.08116
   35    30 S   CO3  _C3_    29     1.52941   113.26122   -96.15812
   36    35 S   O2Z  _O31    30     1.26403   115.50218   -43.63586
   37    35 S   O2Z  _O32    31     1.26385   114.96373   137.33778
   38    33 S   CM   _C9_    38     1.52653   108.72610   -92.48934
   39    38 S   CT   _C4_    39     1.51734   113.88056   -78.55429
   40    39 S   HC   _H6_    40     1.09802   108.20465    62.93365
   41    39 S   HC   _H7_    41     1.09218   113.34955   178.77923
   42    38 S   CM   _C10    53     1.34701   119.78473   103.60510
   43    42 S   HC   _H9_    54     1.08512   118.84393    -2.05357
   44    39 S   CT1  _C5_    42     1.52981   111.51287   -56.93411
   45    44 S   HC   _H3_    43     1.09801   107.48801   162.54212
   46    42 S   CG   _C11    55     1.47452   123.93337   178.89536
   47    46 S   HC   _H10    56     1.09772   118.73348    -6.07319
   48    44 S   NE   _N4_    44     1.45183   111.22356    44.40996
   49    48 S   H    _H8_    45     1.01749   117.79029   168.62639
   50    44 S   CO3  _C17    50     1.54292   116.36380   -79.15155
   51    50 S   O2Z  _O39    51     1.26389   116.58558     6.76405
   52    50 S   O2Z  _O38    52     1.26723   114.79505  -171.41080
   53    46 S   NIP  _N5_    57     1.28674   125.86306   172.16406
   54    53 S   H    _H11    58     1.02811   115.51861  -174.85791
   55    33 S   CM   _C6_    46     1.51536   108.78912   144.86422
   56    53 S   CT1  _C12    59     1.49477   129.94579     0.98655
   57    56 S   HC   _H5_    60     1.09503   108.13794    27.37215
   58    55 S   CMA  _C7_    47     1.54106   120.99262   -77.89188
   59    58 S   OM   _O33    48     1.26489   120.62965   162.44592
   60    58 S   OM   _O34    49     1.26396   121.57628   -18.04504
   61    56 S   CO3  _C16    61     1.53820   105.95624   -90.70660
   62    61 S   O2Z  _O37    62     1.26201   116.22793   -88.45766
   63    61 S   O2Z  _O36    63     1.26515   114.51967    91.18218
   64    56 S   CT   _C13    64     1.53117   107.68771   145.16246
   65    64 S   HC   _H12    65     1.09850   111.06155    63.44437
   66    64 S   HC   _H13    66     1.09896   109.64066   -53.14169
   67    64 S   CTA  _C14    67     1.53001   111.86936  -174.05439
   68    67 S   HC   _H14    68     1.09657   109.95831    57.60700
   69    67 S   HC   _H15    69     1.09593   110.47966   -61.36583
   70    67 S   C    _C15    70     1.51600   112.32168   177.89597
   71    70 S   O    _O35    71     1.22693   124.12068    -2.37965
   72    70 S   N    _N6_    72     1.37605   112.61205   177.94824
   73    72 S   H    _H16    73     1.01429   122.49092    -0.48092
   74    72 S   H    _H17    74     1.01396   120.37956   179.95577
  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
  15   6   2   1   1  14  13   6   5   8   3   8   6   7   3   8
   3   3   1   1  10   4   3  11   7   2   1   1   6   2   1   8
   5   4   7   4   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    55    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    55    58    59    60    42    43    46  
   38    39    48    55    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    55    58    50    42    43    46    47    53  
   40    41    44    45    48    49    55    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    54    56    44    55  
   46    47    53  
   45    48    49    55    58    50    51    52  
   48    49    55    50    51    52  
   47    53    54    56    57    61    64  
   53    54    56  
   49    55    58    59    60    50    51    52  
   55    58    50  
   51    52    55  
   52  
    0  
   54    56    57    61    62    63    64    65    66    67  
   56    57    61    64  
   58    59    60  
   57    61    62    63    64    65    66    67    68    69    70  
   61    62    63    64    65    66    67  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64  
   64  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.139000   2.2900   2.0360   0.003973653   1.685851020
   54   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   72   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   73   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   74   0.5000   0.0300   0.380000   1.5900   1.4000   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    55   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   382.000  1.448
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    55   425.000  1.378
   55    58   465.000  1.376
   58    59   745.000  1.250
   58    60   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    54   490.000  1.015
   53    56   280.000  1.462
   56    57   340.000  1.090
   56    61   317.000  1.522
   56    64   268.000  1.529
   61    62   656.000  1.250
   61    63   656.000  1.250
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.522
   70    71   570.000  1.229
   70    72   490.000  1.335
   72    73   434.000  1.010
   72    74   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    48    75.00000  116.24600
   33    55    58    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.61500
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  112.50000
   44    48    55    50.00000  121.00000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    55    58    70.00000  124.03900
   55    33    34    35.00000  109.50000
   55    33    38    70.00000  110.12100
   55    48    49    35.00000  114.50000
   55    58    59    65.00000  137.10300
   55    58    60    65.00000  137.10300
   60    58    59    65.00000  121.00000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  110.10000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    54    45.00000  118.89500
   46    53    56    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    56    57    50.00000  106.46400
   53    56    61    75.00000  110.00000
   53    56    64    75.00000  111.57000
   56    53    54    45.00000  117.21000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    58.35000  112.70000
   61    56    57    35.00000  109.50000
   63    61    62    80.00000  126.00000
   64    56    57    37.50000  110.70000
   64    56    61    63.00000  111.10000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    63.00000  111.10000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    80.00000  120.40000
   67    70    72    70.00000  116.60000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    35.00000  119.80000
   70    72    74    35.00000  119.80000
   72    70    71    80.00000  122.90000
   74    72    73    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   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    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    55    48   0.09700  1.0 1.0
   29    33    55    48   0.15600 -1.0 2.0
   29    33    55    48  -0.50800  1.0 3.0
   29    33    55    58   0.42700  1.0 1.0
   29    33    55    58  -0.70350 -1.0 2.0
   29    33    55    58  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    55    58    59   7.00000 -1.0 2.0
   33    55    58    60   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    55    48  -0.18050  1.0 3.0
   34    33    55    58   0.00000  1.0 1.0
   38    33    55    48  -1.35150  1.0 1.0
   38    33    55    48   0.13900 -1.0 2.0
   38    33    55    48   0.25250  1.0 3.0
   38    33    55    58  -0.28300  1.0 1.0
   38    33    55    58   0.26700 -1.0 2.0
   38    33    55    58  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.21700  1.0 1.0
   38    39   -44    48   0.68550 -1.0 2.0
   38    39   -44    48  -0.27950  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    55   0.25450  1.0 1.0
   39    44    48    55  -0.61700 -1.0 2.0
   39    44    48    55  -0.23550  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.22950  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.22950  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -55    33   1.00000 -1.0 2.0
   44    48    55    58  -0.54700  1.0 1.0
   44    48    55    58   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    55   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    55    58    59   7.00000 -1.0 2.0
   48    55    58    60   7.00000 -1.0 2.0
   49    48    55    33   2.40850 -1.0 2.0
   49    48    55    58   1.00000 -1.0 2.0
   55    33   -38    39   0.09700  1.0 1.0
   55    33   -38    39   0.15600 -1.0 2.0
   55    33   -38    39  -0.50800  1.0 3.0
   55    33    38    42  -0.28300  1.0 1.0
   55    33    38    42   0.26700 -1.0 2.0
   55    33    38    42  -0.63300  1.0 3.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    55  -0.12500  1.0 1.0
   50    44    48    55  -0.12500 -1.0 2.0
   50    44    48    55   0.25000  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    54   2.00000 -1.0 2.0
   42    46    53    56   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    56    57  -0.22200  1.0 3.0
   46    53    56    61   0.00000  1.0 1.0
   46    53    56    64   0.00000  1.0 1.0
   47    46    53    54   2.00000 -1.0 2.0
   47    46    53    56   2.00000 -1.0 2.0
   53    56    61    62   0.30150 -1.0 2.0
   53    56    61    63   0.30150 -1.0 2.0
   53    56    64    65   0.15000  1.0 3.0
   53    56    64    66   0.15000  1.0 3.0
   53    56    64    67   0.56750  1.0 1.0
   53    56    64    67  -0.07550 -1.0 2.0
   53    56    64    67   0.20000  1.0 3.0
   54    53    56    57   0.09500  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   54    53    56    64   0.00000  1.0 1.0
   56    64    67    68   0.15000  1.0 3.0
   56    64    67    69   0.15000  1.0 3.0
   56    64    67    70  -1.03000  1.0 1.0
   56    64    67    70  -0.15650 -1.0 2.0
   56    64    67    70   0.15750  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    67   0.15000  1.0 3.0
   61    56    64    65  -0.03800  1.0 3.0
   61    56    64    66  -0.03800  1.0 3.0
   61    56    64    67  -1.34600  1.0 1.0
   61    56    64    67   0.41800 -1.0 2.0
   64    56    61    62   0.00000  1.0 1.0
   64    56    61    63   0.00000  1.0 1.0
   64    67    70    71   0.58300 -1.0 2.0
   64    67    70    72  -0.14500  1.0 1.0
   64    67    70    72   1.31050 -1.0 2.0
   64    67    70    72  -0.88900  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70  -0.05000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70  -0.05000  1.0 3.0
   67    70    72    73   2.45000 -1.0 2.0
   67    70    72    74   2.45000 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    72   0.00000  1.0 1.0
   71    70    72    73   2.45000 -1.0 2.0
   71    70    72    74   2.45000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   49    55    48    44   1.00000 -1.0 2.0
   33    48    55    58   1.10000 -1.0 2.0
   59    60    58    55   1.10000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   56    54    53    46   1.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
   67    72    70    71  10.50000 -1.0 2.0
   74    70    72    73   1.00000 -1.0 2.0
END
