* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    102    157     300
    1     0 S   NP   _N1_     1    29.15152    93.66770   -22.51991
    2     1 S   H    _HN1     2     1.02840    26.09062   114.37419
    3     1 S   H    _H1_     3     1.02785    91.83229  -116.48660
    4     1 S   H    _H2_     4     1.02955    93.77671    -7.86380
    5     1 S   CT   _CA1     5     1.50144   136.72863   117.68841
    6     5 S   HC   _HA1     6     1.09552   105.33287    57.34455
    7     5 S   CO3  _C1_     7     1.53903   112.08638   -63.20347
    8     7 S   O2Z  _O11     8     1.26405   115.01241   -46.12536
    9     7 S   O2Z  _O12     9     1.26222   114.90793   132.84773
   10     5 S   CT   _CB1    10     1.52995   107.44512   175.55168
   11    10 S   HC   HB11    11     1.09821   109.91934   -47.47023
   12    10 S   HC   HB12    12     1.09587   109.98638    69.09737
   13    10 S   CT   _CG1    13     1.52980   112.84377  -168.62987
   14    13 S   HC   HG11    14     1.09578   110.71356   -56.28710
   15    13 S   HC   HG12    15     1.09623   109.91925    63.05471
   16    13 S   C    _CD1    16     1.51783   111.95080  -176.00056
   17    16 S   O    _OE1    17     1.22744   123.18569     4.48978
   18    16 S   N    _N2_    18     1.38658   111.83581  -176.35433
   19    18 S   H    _HN2    19     1.01546   119.20839     4.73756
   20    18 S   CT1  _CA2    20     1.46174   123.15193  -175.60430
   21    20 S   HC   _HA2    21     1.09578   108.97431     5.59030
   22    20 S   C    _C2_    22     1.53510   109.45320  -109.69120
   23    22 S   O    _O2_    23     1.23082   122.19237  -149.29817
   24    20 S   CT   _CB2    32     1.53672   111.83906   127.30157
   25    24 S   HC   HB21    33     1.09666   109.40117    73.34138
   26    24 S   HC   HB22    34     1.09571   110.69793  -169.76363
   27    22 S   N    _N3_    24     1.38314   113.84292    38.03742
   28    27 S   H    _HN3    25     1.01569   119.56508    -3.00739
   29    24 S   S    _SG2    35     1.83098   115.08097   -45.48030
   30    27 S   CT   _CA3    26     1.45271   123.15443   177.01968
   31    30 S   HC   HA31    27     1.09553   107.48695   -64.59756
   32    30 S   HC   HA32    28     1.09558   107.99648    51.81574
   33    29 S   CT   _C11    36     1.83975   100.80203   -66.70623
   34    33 S   HC   _H3_    37     1.09085   106.90288    33.36665
   35    30 S   CO3  _C3_    29     1.52941   114.14433   173.81097
   36    35 S   O2Z  _O31    30     1.26366   116.09983    -1.70869
   37    35 S   O2Z  _O32    31     1.26433   114.39770   178.37502
   38    33 S   CM   _C10    38     1.50846   108.49633   150.50845
   39    38 S   HC   _H5_    39     1.08964   116.77133    28.66513
   40    33 S   CM   _C12    57     1.49904   108.96494   -87.70325
   41    40 S   HC   _H6_    58     1.09045   117.90798   -49.09826
   42    38 S   CM   _C9_    40     1.34638   124.99676  -148.33512
   43    40 S   CMA  _C13    59     1.51584   122.21520   133.49806
   44    43 S   OM   _O35    60     1.26173   119.48413  -171.39349
   45    43 S   OM   _O36    61     1.26231   122.02125     9.18840
   46    42 S   C    _C8_    41     1.50085   117.08853   174.89631
   47    46 S   O    _O34    42     1.23269   118.74675    47.19732
   48    42 S   OH   _O37    55     1.37794   124.62489    -6.47654
   49    48 S   HO   _H7_    56     0.97566   108.87286   -10.93378
   50    46 S   N    _N4_    43     1.40642   116.59464  -131.39273
   51    50 S   C    _C7_    44     1.39983   121.41223  -177.97871
   52    51 S   O    _O33    45     1.23221   124.26402     3.50526
   53    51 S   CM   _C6_    46     1.49140   116.61022  -177.10322
   54    53 S   Cl   Cl1_    47     1.73069   116.82521   179.01305
   55    53 S   CM   _C5_    48     1.33540   122.11478    -1.28405
   56    55 S   CHZ  _C4_    49     1.46987   113.87143     0.36957
   57    56 S   HC   _H4_    50     1.10311   115.55637  -179.70525
   58    55 S   NE   _N6_    52     1.36200   128.68224  -179.65057
   59    58 S   H    _H8_    53     1.01220   120.65492   175.54543
   60    58 S   H    _H9_    54     1.01338   119.32259     1.17353
   61    50 S   NI   _N5_    51     1.37203   116.85770     3.75823
  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
  11   6   2   1   1  10   4   5   3   7   2   1   1   9   4   2
   1   8   7   4   8   3   6   5   2   3   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    48    40    41    43    44    45  
   38    39    42    40    41    43  
   36    37  
   37  
    0  
   39    42    46    47    50    48    49    40    41    43  
   42    46    48    40  
   41    43    44    45    42  
   43    44    45  
   46    47    50    51    61    48    49  
   44    45  
   45  
    0  
   47    50    51    52    53    56    61    48    49  
   50    51    61    48  
   49    50  
    0  
   51    52    53    54    55    56    57    61  
   52    53    54    55    56    61    58  
   53    54    55    61  
   54    55    56    57    61    58    59    60  
   55    56    58  
   56    57    61    58    59    60  
   57    61    58    59    60  
   61    58  
   59    60    61  
   60  
    0  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.2500   0.1700  -0.125000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   55   3.5500   0.0760  -0.161700   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.387900   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.068500   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   61   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
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    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    46   410.000  1.444
   42    48   510.000  1.338
   46    47   570.000  1.229
   46    50   490.000  1.335
   50    51   490.000  1.335
   50    61   305.000  1.341
   51    52   570.000  1.229
   51    53   410.000  1.444
   53    54   300.000  1.725
   53    55   549.000  1.340
   55    56   360.000  1.437
   55    58   425.000  1.378
   56    57   375.000  1.090
   56    61   645.000  1.280
   58    59   434.000  1.010
   58    60   434.000  1.010
   48    49   553.000  0.945
   40    41   340.000  1.080
   40    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    46    70.00000  118.70000
   38    42    48    80.00000  121.38400
   42    38    39    35.00000  120.00000
   42    46    47    80.00000  125.30000
   42    46    50    80.00000  111.56200
   42    48    49    70.00000  107.45700
   46    50    51    70.00000  121.37400
   46    50    61    75.00000  121.16600
   50    46    47    80.00000  122.90000
   50    51    52    80.00000  122.90000
   50    51    53    80.00000  111.56200
   50    61    56    85.00000  114.80200
   51    53    54    70.00000  120.00000
   51    53    55    70.00000  118.70000
   53    51    52    80.00000  125.30000
   53    55    56    70.00000  117.49700
   53    55    58    70.00000  124.03900
   55    53    54    75.00000  121.50000
   55    56    57    40.00000  113.81000
   55    56    61    65.00000  123.49500
   55    58    59    35.00000  114.50000
   55    58    60    35.00000  114.50000
   61    50    51    75.00000  121.16600
   61    56    57    45.00000  120.68700
   58    55    56    70.00000  124.03900
   60    58    59    35.00000  109.00000
   48    42    46    80.00000  119.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    65.00000  137.10300
   40    43    45    65.00000  137.10300
   43    40    41    40.00000  120.50800
   45    43    44    65.00000  121.00000
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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   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    40    41   0.00000  1.0 1.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    38    42    46   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    45   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    43   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -0.63300  1.0 3.0
   38    42    46    47   1.00000 -1.0 2.0
   38    42    46    50   0.49500  1.0 1.0
   38    42    46    50   1.31600 -1.0 2.0
   38    42    46    50  -0.02300  1.0 3.0
   38    42    48    49  -0.66100  1.0 1.0
   38    42    48    49   1.20850 -1.0 2.0
   38    42    48    49  -0.36000  1.0 3.0
   39    38    42    46   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    46    50    51   2.45000 -1.0 2.0
   42    46    50    61   2.45000 -1.0 2.0
   46    42    48    49   2.00000 -1.0 2.0
   46    50    51    52   2.22250 -1.0 2.0
   46    50    51    53   2.45000 -1.0 2.0
   46    50    61    56   1.42450 -1.0 2.0
   47    46    50    51   2.22250 -1.0 2.0
   47    46    50    61  -0.75150  1.0 1.0
   47    46    50    61   0.83450 -1.0 2.0
   50    51    53    54   1.50000 -1.0 2.0
   50    51    53    55   0.49500  1.0 1.0
   50    51    53    55   1.31600 -1.0 2.0
   50    51    53    55  -0.02300  1.0 3.0
   51    50    61    56   1.42450 -1.0 2.0
   51    53   -55    56   7.00000 -1.0 2.0
   51    53    55    58   7.00000 -1.0 2.0
   52    51    53    54  -0.52200  1.0 1.0
   52    51    53    54   0.82950 -1.0 2.0
   52    51    53    55   1.00000 -1.0 2.0
   53    55    56    57   1.36050 -1.0 2.0
   53    55    56    61   1.09650  1.0 1.0
   53    55    56    61   0.48950 -1.0 2.0
   53    55    56    61   0.49400  1.0 3.0
   53    55    58    59   1.00000 -1.0 2.0
   53    55    58    60   1.00000 -1.0 2.0
   54    53    55    56   7.00000 -1.0 2.0
   54    53    55    58   7.00000 -1.0 2.0
   55    56   -61    50   6.00000 -1.0 2.0
   56    55    58    59   1.00000 -1.0 2.0
   56    55    58    60   1.00000 -1.0 2.0
   57    56    61    50   4.00000 -1.0 2.0
   61    50    51    52  -0.75150  1.0 1.0
   61    50    51    52   0.83450 -1.0 2.0
   61    50   -51    53   2.45000 -1.0 2.0
   58    55    56    57   7.00000 -1.0 2.0
   58    55    56    61   7.00000 -1.0 2.0
   48    42    46    47  -0.11900  1.0 1.0
   48    42    46    47   0.76850 -1.0 2.0
   48    42    46    47   0.14100  1.0 3.0
   48    42    46    50   1.50000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   41    40    43    44   7.00000 -1.0 2.0
   41    40    43    45   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    48    42    38  15.00000 -1.0 2.0
   42    50    46    47  10.50000 -1.0 2.0
   61    46    50    51   1.00000 -1.0 2.0
   50    53    51    52  10.50000 -1.0 2.0
   51    54    53    55   1.10000 -1.0 2.0
   56    58    55    53   1.10000 -1.0 2.0
   55    57    56    61  10.50000 -1.0 2.0
   60    55    58    59   1.00000 -1.0 2.0
   33    41    40    43  15.00000 -1.0 2.0
   44    45    43    40  15.00000 -1.0 2.0
END
