* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    136    232     408
    1     0 S   NP   _N1_     1    28.56837    95.44142   -22.62503
    2     1 S   H    _HN1     2     1.02838    33.36027   171.86151
    3     1 S   H    _H1_     3     1.02780    98.57916   -78.52320
    4     1 S   H    _H2_     4     1.02958    80.31337    28.74247
    5     1 S   CT   _CA1     5     1.50104   140.78467   139.25161
    6     5 S   HC   _HA1     6     1.09575   105.24059    77.60616
    7     5 S   CO3  _C1_     7     1.53780   112.42491   -42.63973
    8     7 S   O2Z  _O11     8     1.26356   115.00476   -43.77114
    9     7 S   O2Z  _O12     9     1.26240   114.91851   135.48522
   10     5 S   CT   _CB1    10     1.53101   107.44796  -164.46199
   11    10 S   HC   HB11    11     1.09825   109.33522   -50.89288
   12    10 S   HC   HB12    12     1.09819   110.41965    65.66120
   13    10 S   CT   _CG1    13     1.53011   112.66247  -171.99021
   14    13 S   HC   HG11    14     1.09596   110.46668   -63.98267
   15    13 S   HC   HG12    15     1.09655   109.95843    55.24091
   16    13 S   C    _CD1    16     1.51808   112.33961   175.61881
   17    16 S   O    _OE1    17     1.22716   123.27690    -0.97919
   18    16 S   N    _N2_    18     1.38647   111.62576   179.15466
   19    18 S   H    _HN2    19     1.01584   119.00179     1.36056
   20    18 S   CT1  _CA2    20     1.46165   123.35435   179.51221
   21    20 S   HC   _HA2    21     1.09737   109.40633    -6.78015
   22    20 S   C    _C2_    22     1.53474   108.42090  -122.35902
   23    22 S   O    _O2_    23     1.23026   122.14646  -145.69200
   24    20 S   CT   _CB2    32     1.53390   111.59446   115.26718
   25    24 S   HC   HB21    33     1.09493   109.97280    56.01038
   26    24 S   HC   HB22    34     1.09520   110.05521   174.91300
   27    22 S   N    _N3_    24     1.38473   113.45813    41.62793
   28    27 S   H    _HN3    25     1.01517   118.95630    -0.76259
   29    24 S   S    _SG2    35     1.82716   111.77376   -65.43336
   30    27 S   CT   _CA3    26     1.45474   123.60634   175.13023
   31    30 S   HC   HA31    27     1.09509   109.44555    20.13186
   32    30 S   HC   HA32    28     1.09501   107.07086   137.17753
   33    29 S   CT   _C20    36     1.84834    99.49075  -177.96145
   34    33 S   HC   _H3_    37     1.09576   108.94098    37.60229
   35    30 S   CO3  _C3_    29     1.52919   112.96331  -103.48304
   36    35 S   O2Z  _O31    30     1.26414   115.34876   -45.32083
   37    35 S   O2Z  _O32    31     1.26345   115.01243   135.54761
   38    33 S   CA   _C12    38     1.52998   109.59780   155.39284
   39    38 S   CA   _C13    39     1.42466   121.37681   -77.52639
   40    38 S   CA   _C11    59     1.41458   119.83594   102.19442
   41    39 S   CM   _C19    40     1.48398   122.74337    -0.44762
   42    41 S   HC   _H14    41     1.08236   119.86484    -0.20936
   43    40 S   CT   _C23    60     1.51825   122.94941     2.76732
   44    43 S   HC   _H6_    61     1.09733   108.18471   109.92672
   45    39 S   CR3  _C14    72     1.42422   120.70207   179.79633
   46    41 S   CM   _C18    42     1.34119   121.99759   179.68348
   47    46 S   HC   _H13    43     1.08483   120.58158  -179.87805
   48    43 S   CT   _C22    62     1.52918   114.48411   -12.55660
   49    48 S   HC   _H5_    63     1.09628   110.12465   -82.69268
   50    43 S   OH   _O33    70     1.43314   110.40118  -133.98626
   51    50 S   HO   _H15    71     0.97272   107.90723    47.84811
   52    53 S   CR3  _C15    73     1.40907   118.86347     0.16786
   53    46 S   CA   _C16    44     1.46584   120.68566     0.25488
   54    33 S   CT   _C21    64     1.54011   110.41923   -79.62260
   55    54 S   HC   _H4_    65     1.09557   111.79811    49.75933
   56    48 S   OH   _O34    68     1.43091   108.67457   161.45961
   57    56 S   HO   _H16    69     0.97218   107.62416   179.96044
   58    53 S   CA   _C17    45     1.39909   120.47244   180.00000
   59    58 S   HA   _H12    46     1.08719   120.82436     0.18767
   60    54 S   OH   _O35    66     1.43413   109.15875   165.91975
   61    60 S   HO   _H17    67     0.97252   107.75447   -61.88387
   62    58 S   CA   _C4_    47     1.39216   120.02734  -179.77358
   63    62 S   HA   _H7_    48     1.08634   119.98447   180.00000
   64    62 S   CA   _C5_    49     1.39422   120.07392     0.05595
   65    64 S   HA   _H8_    50     1.08805   118.78093   179.92598
   66    64 S   CA   _C6_    51     1.40383   120.66726    -0.04846
   67    66 S   CA   _C7_    52     1.39806   121.21213   179.89165
   68    67 S   HA   _H9_    53     1.08786   120.70952    -0.00000
   69    67 S   CA   _C8_    54     1.39386   120.44694  -179.96044
   70    69 S   HA   _H10    55     1.08833   118.59908   179.94405
   71    69 S   CA   _C9_    56     1.40199   120.85719    -0.14127
   72    71 S   CA   _C10    57     1.39775   120.72128   180.00000
   73    72 S   HA   _H11    58     1.09025   119.19686    -0.90331
  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   9   5   4   3
  15   7   2   1   1  17  14  14   8   4  13   7  12   7   3  10
   6   4   1  12   8   5   3   2   1   6   3   1   1   5   3   5
   2   5   5   3   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    54    55    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    72    40    43    48    49    54    55    60    61    56    45  
   38    39    40    48    54    55    60  
   36    37  
   37  
    0  
   39    41    42    46    71    72    73    40    43    44    48    54    55    60    50    45    52  
   41    42    46    47    53    66    69    71    72    40    43    54    45    52  
   43    44    48    49    54    56    50    51    45    41    69    71    72    73  
   42    46    47    53    58    71    45    52  
   46    47    53    45  
   44    48    49    54    55    60    56    57    50    51    71    72    73  
   48    49    54    56    50    51    72  
   52    46    53    58    64    66    67    69    70    71    72    73  
   47    53    58    59    62    66    52  
   53    58    52  
   49    54    55    60    61    56    57    50    51    72  
   54    55    60    56    57    50  
   51    54    56    72  
    0  
   53    58    59    62    64    65    66    67    68    69    71    72  
   58    59    62    63    64    66    67    71  
   55    60    61    56    57  
   60    61    56  
   57    60  
    0  
   59    62    63    64    65    66  
   62    63    64  
   61  
    0  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68    69  
   66    67  
   67    68    69    70    71  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73  
   71    72  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.000000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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    54   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   320.000  1.460
   39    45   490.000  1.398
   41    42   340.000  1.080
   41    46   549.000  1.340
   46    47   340.000  1.080
   46    53   320.000  1.460
   53    58   469.000  1.400
   53    52   490.000  1.398
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    52   490.000  1.398
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    45   490.000  1.398
   72    73   367.000  1.080
   72    40   469.000  1.400
   40    43   317.000  1.510
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    50   320.000  1.410
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    60   320.000  1.410
   60    61   553.000  0.945
   56    57   553.000  0.945
   50    51   553.000  0.945
   45    52   490.000  1.398
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    54    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    54    48    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    60    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    41    60.00000  120.93500
   38    39    45    70.00000  112.88000
   38    40    72    63.00000  120.00000
   38    40    43    70.00000  120.00000
   39    41    42    40.00000  117.26300
   39    41    46    60.00000  123.20500
   39    45    71    60.00000  130.80000
   39    45    52    60.00000  130.80000
   41    46    47    35.00000  120.00000
   41    46    53    60.00000  123.20500
   46    41    42    35.00000  120.00000
   46    53    58    60.00000  120.93500
   46    53    52    60.00000  120.93500
   53    46    47    40.00000  117.26300
   53    58    59    35.00000  120.00000
   53    58    62    63.00000  120.00000
   53    52    66    60.00000  130.80000
   53    52    45    60.00000  130.80000
   58    62    63    35.00000  120.00000
   58    62    64    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    52    70.00000  112.88000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    52    45    60.00000  130.80000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    45    70.00000  112.88000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    40    63.00000  120.00000
   71    45    52    60.00000  130.80000
   72    40    43    70.00000  120.00000
   40    38    39    63.00000  120.00000
   40    72    73    35.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    48    70.00000  112.17500
   40    43    50    90.00000  112.51600
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    56    50.00000  109.50000
   43    50    51    55.00000  108.50000
   48    43    44    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    60    50.00000  109.50000
   48    56    57    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.17500
   54    48    49    37.50000  110.70000
   54    60    61    55.00000  108.50000
   60    54    55    35.00000  109.50000
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   50    43    44    35.00000  109.50000
   50    43    48    50.00000  109.50000
   45    39    41    60.00000  120.93500
   45    71    72    70.00000  112.88000
   52    53    58    70.00000  112.88000
   52    66    67    70.00000  112.88000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    38    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    54    48   0.44750  1.0 1.0
   29    33    54    48  -0.17800 -1.0 2.0
   29    33    54    48   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60   0.56750  1.0 1.0
   29    33    54    60  -0.07550 -1.0 2.0
   29    33    54    60   0.20000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    45   3.62500 -1.0 2.0
   33    38    40    72   3.62500 -1.0 2.0
   33    38    40    43   3.62500 -1.0 2.0
   33    54    60    61  -0.11600  1.0 1.0
   33    54    60    61  -0.09450 -1.0 2.0
   33    54    60    61   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    60   0.23400  1.0 3.0
   38    33    54    48  -0.03700  1.0 1.0
   38    33    54    48   0.37200 -1.0 2.0
   38    33    54    48  -0.47300  1.0 3.0
   38    33    54    55   0.43200  1.0 3.0
   38    33    54    60   1.13150  1.0 1.0
   38    33    54    60  -1.01400 -1.0 2.0
   38    39    41    42   0.56550  1.0 3.0
   38    39    41    46   0.15800  1.0 1.0
   38    39    41    46   1.85350 -1.0 2.0
   38    39    41    46  -0.48700  1.0 3.0
   38    39    45    71   3.62500 -1.0 2.0
   38    39    45    52   3.62500 -1.0 2.0
   38    40    43    44   0.00000  1.0 1.0
   38    40   -43    48   0.04150 -1.0 2.0
   38    40    43    50   0.14300 -1.0 2.0
   38    40    43    50   0.00300  1.0 3.0
   39    38    40    72   3.62500 -1.0 2.0
   39    38    40    43   3.62500 -1.0 2.0
   39    41    46    47   7.00000 -1.0 2.0
   39    41    46    53   7.00000 -1.0 2.0
   39    45   -52    53   3.62500 -1.0 2.0
   39    45    52    66   3.62500 -1.0 2.0
   41    39    45    71   3.62500 -1.0 2.0
   41    39    45    52   3.62500 -1.0 2.0
   41    46    53    58   0.15800  1.0 1.0
   41    46    53    58   1.85350 -1.0 2.0
   41    46    53    58  -0.48700  1.0 3.0
   41    46   -53    52   0.15800  1.0 1.0
   41    46   -53    52   1.85350 -1.0 2.0
   41    46   -53    52  -0.48700  1.0 3.0
   42    41    46    47   7.00000 -1.0 2.0
   42    41    46    53   7.00000 -1.0 2.0
   46    53    58    59   3.62500 -1.0 2.0
   46    53    58    62   3.62500 -1.0 2.0
   46    53    52    66   3.62500 -1.0 2.0
   46    53    52    45   3.62500 -1.0 2.0
   47    46    53    58   0.56550  1.0 3.0
   47    46    53    52   0.56550  1.0 3.0
   53    58    62    63   3.62500 -1.0 2.0
   53    58    62    64   3.62500 -1.0 2.0
   58    53    52    66   3.62500 -1.0 2.0
   58    53    52    45   3.62500 -1.0 2.0
   58    62    64    65   3.62500 -1.0 2.0
   58    62   -64    66   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   59    58    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    52   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    69   3.62500 -1.0 2.0
   64    66   -52    53   3.62500 -1.0 2.0
   64    66    52    45   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    52   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    52    53   3.62500 -1.0 2.0
   67    66    52    45   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    45   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    40   3.62500 -1.0 2.0
   69    71    45    39   3.62500 -1.0 2.0
   69    71    45    52   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    45   3.62500 -1.0 2.0
   71    72   -40    38   3.62500 -1.0 2.0
   71    72    40    43   3.62500 -1.0 2.0
   71    45    52    53   3.62500 -1.0 2.0
   71    45   -52    66   3.62500 -1.0 2.0
   72    71   -45    39   3.62500 -1.0 2.0
   72    71    45    52   3.62500 -1.0 2.0
   72    40    43    44   0.00000  1.0 1.0
   72    40    43    48   0.04150 -1.0 2.0
   72    40    43    50   0.14300 -1.0 2.0
   72    40    43    50   0.00300  1.0 3.0
   73    72    40    38   3.62500 -1.0 2.0
   73    72    40    43   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38    39    45   3.62500 -1.0 2.0
   40    43    48    49   0.43200  1.0 3.0
   40    43    48    54  -0.03700  1.0 1.0
   40    43    48    54   0.37200 -1.0 2.0
   40    43    48    54  -0.47300  1.0 3.0
   40    43    48    56   1.13150  1.0 1.0
   40    43    48    56  -1.01400 -1.0 2.0
   40    43    50    51   0.31900  1.0 1.0
   40    43    50    51  -0.11800 -1.0 2.0
   40    43    50    51   0.38750  1.0 3.0
   43    48   -54    33   0.56750  1.0 1.0
   43    48   -54    33  -0.07550 -1.0 2.0
   43    48   -54    33   0.20000  1.0 3.0
   43    48    54    55   0.15000  1.0 3.0
   43    48    54    60   0.86500  1.0 1.0
   43    48    54    60  -0.17500 -1.0 2.0
   43    48    54    60   0.20800  1.0 3.0
   43    48    56    57  -0.11600  1.0 1.0
   43    48    56    57  -0.09450 -1.0 2.0
   43    48    56    57   0.21250  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    54   0.15000  1.0 3.0
   44    43    48    56   0.23400  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   48    43    50    51  -0.11600  1.0 1.0
   48    43    50    51  -0.09450 -1.0 2.0
   48    43    50    51   0.21250  1.0 3.0
   48    54    60    61  -0.11600  1.0 1.0
   48    54    60    61  -0.09450 -1.0 2.0
   48    54    60    61   0.21250  1.0 3.0
   49    48    54    33   0.15000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    60   0.23400  1.0 3.0
   49    48    56    57   0.19450  1.0 3.0
   54    33    38    39   0.04150 -1.0 2.0
   54    33   -38    40   0.04150 -1.0 2.0
   54    48    56    57  -0.11600  1.0 1.0
   54    48    56    57  -0.09450 -1.0 2.0
   54    48    56    57   0.21250  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   56    48    54    33   0.86500  1.0 1.0
   56    48    54    33  -0.17500 -1.0 2.0
   56    48    54    33   0.20800  1.0 3.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    60   3.75450  1.0 1.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    54   0.86500  1.0 1.0
   50    43    48    54  -0.17500 -1.0 2.0
   50    43    48    54   0.20800  1.0 3.0
   50    43    48    56   3.75450  1.0 1.0
   45    39    41    42   0.56550  1.0 3.0
   45    39   -41    46   0.15800  1.0 1.0
   45    39   -41    46   1.85350 -1.0 2.0
   45    39   -41    46  -0.48700  1.0 3.0
   45    71    72    73   3.62500 -1.0 2.0
   45    71   -72    40   3.62500 -1.0 2.0
   52    53    58    59   3.62500 -1.0 2.0
   52    53   -58    62   3.62500 -1.0 2.0
   52    66    67    68   3.62500 -1.0 2.0
   52    66   -67    69   3.62500 -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
   39    40    38    33   4.00000 -1.0 2.0
   41    45    39    38   4.00000 -1.0 2.0
   39    42    41    46   1.10000 -1.0 2.0
   53    47    46    41   1.10000 -1.0 2.0
   58    52    53    46   4.00000 -1.0 2.0
   62    59    58    53   1.10000 -1.0 2.0
   64    63    62    58   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    52    66    64   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    45    71    69   4.00000 -1.0 2.0
   40    73    72    71   1.10000 -1.0 2.0
   72    43    40    38   4.00000 -1.0 2.0
   71    52    45    39   4.00000 -1.0 2.0
   66    45    52    53   4.00000 -1.0 2.0
END
