* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    105    169     311
    1     0 S   NP   _N1_     1    28.20632    96.17307   -21.34164
    2     1 S   H    _HN1     2     1.02777    95.74170  -129.40430
    3     1 S   H    _H1_     3     1.02960    77.90597   -21.84842
    4     1 S   H    _H2_     4     1.02836    37.58839   118.55927
    5     1 S   CT   _CA1     5     1.50141   145.12198    86.55656
    6     5 S   HC   _HA1     6     1.09569   105.24600    79.58314
    7     5 S   CO3  _C1_     7     1.53867   112.16260   -40.68299
    8     7 S   O2Z  _O11     8     1.26356   114.99497   -45.69325
    9     7 S   O2Z  _O12     9     1.26247   115.01374   133.26867
   10     5 S   CT   _CB1    10     1.53132   107.38766  -162.38345
   11    10 S   HC   HB11    11     1.09825   109.65149   -48.31133
   12    10 S   HC   HB12    12     1.09808   110.34465    68.36253
   13    10 S   CT   _CG1    13     1.52958   112.50932  -169.20406
   14    13 S   HC   HG11    14     1.09530   110.42141   -61.82311
   15    13 S   HC   HG12    15     1.09631   109.83199    57.40983
   16    13 S   C    _CD1    16     1.51824   112.37319   178.22800
   17    16 S   O    _OE1    17     1.22749   123.30790     6.44704
   18    16 S   N    _N2_    18     1.38522   111.74461  -174.48765
   19    18 S   H    _HN2    19     1.01524   119.03028     6.17755
   20    18 S   CT1  _CA2    20     1.45894   122.97424  -179.19351
   21    20 S   HC   _HA2    21     1.09714   108.85519    24.76388
   22    20 S   C    _C2_    22     1.52838   107.19908   -92.70094
   23    22 S   O    _O2_    23     1.22960   122.91035   -25.94682
   24    20 S   CT   _CB2    32     1.53261   112.11492   147.72506
   25    24 S   HC   HB21    33     1.09515   109.77955    61.02488
   26    24 S   HC   HB22    34     1.09565   110.65671   178.80679
   27    22 S   N    _N3_    24     1.38610   112.39549   157.20744
   28    27 S   H    _HN3    25     1.01488   119.78180     0.20174
   29    24 S   S    _SG2    35     1.82355   111.05921   -61.05876
   30    27 S   CT   _CA3    26     1.45420   122.60435   174.34064
   31    30 S   HC   HA31    27     1.09550   108.74954    34.39061
   32    30 S   HC   HA32    28     1.09473   107.20254   151.54350
   33    29 S   CM   _C11    36     1.74585   100.06814   158.63987
   34    33 S   Cl   Cl1_    37     1.74815   113.39765    98.37073
   35    30 S   CO3  _C3_    29     1.53126   113.86311   -88.30275
   36    35 S   O2Z  _O31    30     1.26358   116.03114   -24.73188
   37    35 S   O2Z  _O32    31     1.26441   114.52297   156.02790
   38    33 S   CM   _C10    38     1.35840   124.44710   -83.78387
   39    38 S   CA   _C9_    39     1.48679   119.74386  -179.90309
   40    38 S   CA   _C12    50     1.49226   121.05904     1.19354
   41    39 S   CA   _C4_    40     1.40277   120.56336   -78.75508
   42    41 S   HA   _H3_    41     1.08770   120.61032     0.53229
   43    40 S   CA   _C13    51     1.40539   117.86275   104.25282
   44    43 S   HA   _H7_    52     1.08833   120.55873    -0.10087
   45    41 S   CA   _C5_    42     1.39574   120.30292  -179.53564
   46    45 S   HA   _H4_    43     1.08672   119.39743  -179.83687
   47    43 S   CA   _C14    53     1.39598   120.93090  -179.49294
   48    47 S   HA   _H8_    54     1.08709   119.20488   179.74359
   49    45 S   CA   _C6_    44     1.39422   119.71318     0.19979
   50    49 S   Cl   Cl3_    45     1.72193   119.73605   179.98022
   51    47 S   CA   _C15    55     1.39323   119.90179    -0.12033
   52    51 S   Cl   Cl2_    56     1.72357   118.72466  -179.84174
   53    49 S   CA   _C7_    46     1.39442   120.52672     0.07662
   54    53 S   HA   _H5_    47     1.08679   120.85406   179.87489
   55    51 S   CA   _C16    57     1.39560   119.94786    -0.23656
   56    39 S   CA   _C8_    48     1.40155   120.00009   102.17553
   57    56 S   HA   _H6_    49     1.08732   120.75357    -0.57267
   58    40 S   CA   _C17    58     1.40521   123.54480   -76.20832
   59    55 S   OH   _O34    61     1.36926   121.41547   179.33090
   60    59 S   HO   _H10    62     0.97616   108.81140   -12.40691
   61    58 S   OH   _O33    59     1.37092   122.25036    -0.70638
   62    61 S   HO   _H9_    60     0.97018   109.86576     2.33975
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   8   3   2   1   1  14  12  12   8   4   8   4   6   3   6   3
   5   3   6   3   3   2   5   1   1   4   2   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    56    40    43    58  
   38    39    40  
   36    37  
   37  
    0  
   39    41    42    45    53    56    57    40    43    44    47    55    58    61  
   41    42    45    46    49    53    54    56    57    40    43    58  
   43    44    47    48    51    55    58    61    62    59    41    56  
   42    45    46    49    50    53    56    57  
   45    46    49    56  
   44    47    48    51    52    55    58    61  
   47    48    51    58  
   46    49    50    53    54    56  
   49    50    53  
   48    51    52    55    58    59  
   51    52    55  
   50    53    54    56    57  
   53    54    56  
   52    55    58    61    59    60  
   55    58    59  
   54    56    57  
   56    57  
   58    61    62    59    60  
   57  
    0  
   61    62    59    60  
   60    61  
    0  
   62  
    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  -0.175000   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   3.5500   0.0760   0.127500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   51   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   240.000  1.763
   33    34   300.000  1.725
   33    38   549.000  1.340
   38    39   320.000  1.460
   38    40   320.000  1.460
   39    41   469.000  1.400
   39    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   300.000  1.725
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   40    43   469.000  1.400
   40    58   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   300.000  1.725
   51    55   469.000  1.400
   55    58   469.000  1.400
   55    59   450.000  1.364
   58    61   450.000  1.364
   61    62   553.000  0.945
   59    60   553.000  0.945
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    75.00000  112.00000
   29    33    38    65.00000  122.11800
   33    38    39    60.00000  123.20500
   33    38    40    60.00000  123.20500
   38    33    34    75.00000  121.50000
   38    39    41    60.00000  120.93500
   38    39    56    60.00000  120.93500
   38    40    43    60.00000  120.93500
   38    40    58    60.00000  120.93500
   39    41    42    35.00000  120.00000
   39    41    45    63.00000  120.00000
   39    56    53    63.00000  120.00000
   39    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    50    75.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    75.00000  120.00000
   53    56    57    35.00000  120.00000
   56    39    41    63.00000  120.00000
   56    53    54    35.00000  120.00000
   40    38    39    60.00000  122.92000
   40    43    44    35.00000  120.00000
   40    43    47    63.00000  120.00000
   40    58    55    63.00000  120.00000
   40    58    61    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    52    75.00000  120.00000
   47    51    55    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    55    58    63.00000  120.00000
   51    55    59    70.00000  120.00000
   55    51    52    75.00000  120.00000
   55    58    61    70.00000  120.00000
   55    59    60    35.00000  113.00000
   58    40    43    63.00000  120.00000
   58    61    62    35.00000  113.00000
   59    55    58    70.00000  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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    39    41   0.15800  1.0 1.0
   33    38    39    41   1.85350 -1.0 2.0
   33    38    39    41  -0.48700  1.0 3.0
   33    38    39    56   0.15800  1.0 1.0
   33    38    39    56   1.85350 -1.0 2.0
   33    38    39    56  -0.48700  1.0 3.0
   33    38    40    43   0.15800  1.0 1.0
   33    38    40    43   1.85350 -1.0 2.0
   33    38    40    43  -0.48700  1.0 3.0
   33    38    40    58   0.15800  1.0 1.0
   33    38    40    58   1.85350 -1.0 2.0
   33    38    40    58  -0.48700  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    39    41    42   3.62500 -1.0 2.0
   38    39    41    45   3.62500 -1.0 2.0
   38    39    56    53   3.62500 -1.0 2.0
   38    39    56    57   3.62500 -1.0 2.0
   38    40    43    44   3.62500 -1.0 2.0
   38    40    43    47   3.62500 -1.0 2.0
   38    40    58    55   3.62500 -1.0 2.0
   38    40    58    61   3.62500 -1.0 2.0
   39    38    40    43  -0.01750  1.0 1.0
   39    38    40    43  -0.32000 -1.0 2.0
   39    38    40    43   0.00600  1.0 3.0
   39    38    40    58  -0.01750  1.0 1.0
   39    38    40    58  -0.32000 -1.0 2.0
   39    38    40    58   0.00600  1.0 3.0
   39    41    45    46   3.62500 -1.0 2.0
   39    41    45    49   3.62500 -1.0 2.0
   41    39    56    53   3.62500 -1.0 2.0
   41    39    56    57   3.62500 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45   -49    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49    53    56   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53   -56    39   3.62500 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   54    53    56    39   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   56    39    41    42   3.62500 -1.0 2.0
   56    39   -41    45   3.62500 -1.0 2.0
   40    38    39    41  -0.01750  1.0 1.0
   40    38    39    41  -0.32000 -1.0 2.0
   40    38    39    41   0.00600  1.0 3.0
   40    38    39    56  -0.01750  1.0 1.0
   40    38    39    56  -0.32000 -1.0 2.0
   40    38    39    56   0.00600  1.0 3.0
   40    43    47    48   3.62500 -1.0 2.0
   40    43    47    51   3.62500 -1.0 2.0
   40    58    61    62   0.84100 -1.0 2.0
   43    40    58    55   3.62500 -1.0 2.0
   43    40    58    61   3.62500 -1.0 2.0
   43    47    51    52   3.62500 -1.0 2.0
   43    47   -51    55   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    55    58   3.62500 -1.0 2.0
   47    51    55    59   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    55   3.62500 -1.0 2.0
   51    55   -58    40   3.62500 -1.0 2.0
   51    55    58    61   3.62500 -1.0 2.0
   51    55    59    60   0.84100 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    58    61    62   0.84100 -1.0 2.0
   58    40    43    44   3.62500 -1.0 2.0
   58    40   -43    47   3.62500 -1.0 2.0
   58    55    59    60   0.84100 -1.0 2.0
   59    55    58    40   3.62500 -1.0 2.0
   59    55    58    61   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
   29    34    33    38  15.00000 -1.0 2.0
   39    40    38    33  15.00000 -1.0 2.0
   41    56    39    38   4.00000 -1.0 2.0
   45    42    41    39   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   53    50    49    45   4.00000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   53    57    56    39   1.10000 -1.0 2.0
   43    58    40    38   4.00000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   55    52    51    47   4.00000 -1.0 2.0
   58    59    55    51   4.00000 -1.0 2.0
   55    61    58    40   4.00000 -1.0 2.0
END
