* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    128    215     382
    1     0 S   NP   _N1_     1    27.96217    98.33052   -21.95470
    2     1 S   H    _HN1     2     1.02958    64.75734     9.03283
    3     1 S   H    _H1_     3     1.02835    48.32615   157.58951
    4     1 S   H    _H2_     4     1.02776    99.51911   -96.86580
    5     1 S   CT   _CA1     5     1.50147   147.12306    97.87197
    6     5 S   HC   _HA1     6     1.09576   105.18466   102.73667
    7     5 S   CO3  _C1_     7     1.53770   112.40471   -17.40210
    8     7 S   O2Z  _O11     8     1.26369   114.98286   -42.30740
    9     7 S   O2Z  _O12     9     1.26233   114.93560   136.71955
   10     5 S   CT   _CB1    10     1.53095   107.41675  -139.35265
   11    10 S   HC   HB11    11     1.09829   109.26921   -50.26746
   12    10 S   HC   HB12    12     1.09815   110.44211    66.27167
   13    10 S   CT   _CG1    13     1.53037   112.72308  -171.33027
   14    13 S   HC   HG11    14     1.09588   110.53076   -65.95365
   15    13 S   HC   HG12    15     1.09663   109.86876    53.25999
   16    13 S   C    _CD1    16     1.51856   112.27983   173.60297
   17    16 S   O    _OE1    17     1.22761   123.27472     3.10009
   18    16 S   N    _N2_    18     1.38585   111.77193  -176.85247
   19    18 S   H    _HN2    19     1.01560   119.02818     3.92506
   20    18 S   CT1  _CA2    20     1.45831   122.77112   177.13474
   21    20 S   HC   _HA2    21     1.09728   108.89502    25.83790
   22    20 S   C    _C2_    22     1.52945   106.88024   -91.23553
   23    22 S   O    _O2_    23     1.22986   123.00506   -28.24735
   24    20 S   CT   _CB2    32     1.53202   112.33512   149.11653
   25    24 S   HC   HB21    33     1.09597   110.17948    53.92696
   26    24 S   HC   HB22    34     1.09406   109.89660   172.80527
   27    22 S   N    _N3_    24     1.38486   112.61153   154.49559
   28    27 S   H    _HN3    25     1.01657   120.37852    -1.83462
   29    24 S   S    _SG2    35     1.82579   111.16767   -66.85474
   30    27 S   CT   _CA3    26     1.45367   122.45859   178.73344
   31    30 S   HC   HA31    27     1.09566   107.75606   -57.30560
   32    30 S   HC   HA32    28     1.09567   107.65204    59.01709
   33    29 S   CT   _C22    36     1.82350    99.76616   172.89867
   34    33 S   HC   _H3_    37     1.09700   110.58980   -38.03659
   35    30 S   CO3  _C3_    29     1.52893   114.34367  -179.12732
   36    35 S   O2Z  _O31    30     1.26337   116.05069     1.49331
   37    35 S   O2Z  _O32    31     1.26440   114.41781  -178.56115
   38    33 S   CO4  _C23    38     1.50202   110.14329    80.21058
   39    38 S   O    _O35    39     1.22957   122.43442   -71.84233
   40    38 S   CM   _C18    40     1.48114   116.22606   109.12556
   41    40 S   CM   _C19    41     1.47251   119.36690   -18.28599
   42    41 S   CM   _C14    42     1.50537   114.18915  -156.29316
   43    41 S   CMA  _C20    70     1.36092   122.39128    31.66103
   44    43 S   OM   _O37    71     1.26516   130.98229   169.18216
   45    42 S   CM   _C15    43     1.47684   112.34602   -43.90988
   46    42 S   CM   _C12    51     1.35879   123.65791   130.59181
   47    33 S   CO4  _C21    72     1.51744   107.92119  -153.88097
   48    47 S   O    _O36    73     1.23550   119.25247    88.58188
   49    45 S   CM   _C16    44     1.34796   118.81746    32.45154
   50    49 S   HC   _H6_    45     1.08509   121.31980  -178.86099
   51    45 S   OH   _O39    49     1.37496   117.59374  -143.10289
   52    51 S   HO   _H8_    50     0.97240   108.06071   178.83517
   53    46 S   CO4  _C13    52     1.49438   123.29562  -177.50801
   54    53 S   O    _O34    53     1.22411   123.47510    40.26849
   55    40 S   CM   _C17    46     1.35425   121.95007   158.12277
   56    53 S   CA   _C8_    54     1.48325   115.92372  -142.64215
   57    55 S   OH   _O38    47     1.37512   125.59845     1.65019
   58    57 S   HO   _H7_    48     0.97411   108.29171     5.62929
   59    56 S   CA   _C9_    55     1.40276   120.39485   -19.95238
   60    59 S   CA   _C4_    56     1.40098   120.49982   179.36265
   61    60 S   HA   _H4_    57     1.08696   120.64949   179.89721
   62    59 S   CO4  _C10    66     1.47616   120.92147    -2.24629
   63    62 S   O    _O33    67     1.22133   122.75081  -176.76759
   64    60 S   CA   _C5_    58     1.39276   119.46394     0.14537
   65    46 S   CO4  _C11    68     1.48741   121.86135    -2.04851
   66    65 S   O    _O40    69     1.22009   125.35901   -41.21070
   67    64 S   CA   _C6_    59     1.39080   120.83760     0.24469
   68    67 S   HA   _H5_    60     1.08687   120.17505   179.87805
   69    64 S   OH   _O42    64     1.36638   121.03981  -179.95154
   70    69 S   HO   _H10    65     0.97254   108.71859     0.44499
   71    56 S   CA   _C7_    61     1.40386   120.65315   160.00996
   72    71 S   OH   _O41    62     1.36941   123.30499     0.04846
   73    72 S   HO   _H9_    63     0.97389   109.06329     4.01669
  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
  10   6   2   1   1  10   4  12  13  16   6   2   9  11   1   1
   6   3   2   1  10   4   2  12   1   1  11  10   4   5   2   6
   1   1   6   3   2   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    55    43    44    47    48  
   38    39    40    43    47    48  
   36    37  
   37  
    0  
   39    40    41    42    49    55    57    43    47    48  
   40    41    55    47  
   41    42    45    49    50    55    57    58    46    43    44    47  
   42    45    49    55    57    51    46    53    65    43    44    47    48  
   45    49    50    55    51    52    46    53    54    56    62    65    66    43    44    47  
   44    47    48    45    46    55  
   47    48  
   49    50    55    57    51    52    46    53    65  
   53    54    56    59    71    62    63    65    66    49    51  
   48  
    0  
   50    55    57    58    51    52  
   55    57    51  
   52    55  
    0  
   54    56    59    60    67    71    72    62    65    66  
   56    59    71    65  
   57    58  
   59    60    61    64    67    68    71    72    73    62    63    65  
   58  
    0  
   60    61    64    67    71    72    69    62    63    65    66  
   61    64    67    68    71    69    70    62    63    65  
   64    67    69    62  
   63    65    66    64    71  
   65    66  
   67    68    71    72    69    70  
   66  
    0  
   68    71    72    73    69    70  
   71    72    69  
   70    71  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    47   317.000  1.522
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   380.000  1.444
   40    55   549.000  1.340
   41    42   380.000  1.444
   41    43   465.000  1.376
   42    45   380.000  1.444
   42    46   549.000  1.340
   45    49   549.000  1.340
   45    51   510.000  1.338
   49    50   340.000  1.080
   49    55   380.000  1.444
   55    57   510.000  1.338
   57    58   553.000  0.945
   51    52   553.000  0.945
   46    53   320.000  1.462
   46    65   320.000  1.462
   53    54   570.000  1.229
   53    56   310.000  1.470
   56    59   469.000  1.400
   56    71   469.000  1.400
   59    60   469.000  1.400
   59    62   310.000  1.470
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   64    69   450.000  1.364
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   69    70   553.000  0.945
   62    63   570.000  1.229
   62    65   250.000  1.523
   65    66   570.000  1.229
   43    44   745.000  1.250
   43    47   270.000  1.476
   47    48   570.000  1.229
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  110.18000
   29    33    47    75.00000  110.18000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    47    43    65.00000  118.62400
   33    47    48    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    55    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    41    42    70.00000  123.01800
   40    41    43    70.00000  117.34000
   40    55    49    70.00000  123.01800
   40    55    57    80.00000  121.38400
   41    42    45    70.00000  123.01800
   41    42    46    70.00000  123.01800
   41    43    44    65.00000  137.10300
   41    43    47    65.00000  114.61000
   42    45    49    70.00000  123.01800
   42    45    51    80.00000  121.38400
   42    46    53    65.00000  118.96000
   42    46    65    65.00000  118.96000
   45    49    50    35.00000  120.00000
   45    49    55    70.00000  123.01800
   45    51    52    70.00000  107.45700
   49    55    57    80.00000  121.38400
   55    40    41    70.00000  123.01800
   55    49    50    35.00000  120.00000
   55    57    58    70.00000  107.45700
   51    45    49    80.00000  121.38400
   46    42    45    70.00000  123.01800
   46    53    54    80.00000  123.72100
   46    53    56    65.00000  117.02400
   46    65    62    65.00000  116.00000
   46    65    66    80.00000  123.72100
   53    56    59    60.00000  119.52600
   53    56    71    60.00000  119.52600
   56    53    54    75.00000  123.78400
   56    59    60    63.00000  120.00000
   56    59    62    60.00000  119.52600
   56    71    67    63.00000  120.00000
   56    71    72    70.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    64    63.00000  120.00000
   59    62    63    75.00000  123.78400
   59    62    65    60.00000  117.28700
   60    64    67    63.00000  120.00000
   60    64    69    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   64    69    70    35.00000  113.00000
   67    71    72    70.00000  120.00000
   71    56    59    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    72    73    35.00000  113.00000
   69    64    67    70.00000  120.00000
   62    59    60    60.00000  119.52600
   62    65    66    80.00000  119.30300
   65    46    53    65.00000  115.30000
   65    62    63    80.00000  119.30300
   43    41    42    70.00000  117.34000
   43    47    48    80.00000  120.81000
   47    33    34    35.00000  109.50000
   47    33    38    75.00000  107.99600
   47    43    44    85.00000  116.28000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    43   0.65300  1.0 1.0
   29    33    47    43  -0.03850 -1.0 2.0
   29    33    47    43   0.33900  1.0 3.0
   29    33    47    48   0.30150 -1.0 2.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    55  -0.33500  1.0 1.0
   33    38    40    55   1.06600 -1.0 2.0
   33    38    40    55  -0.14000  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    47    43   0.00000  1.0 1.0
   34    33    47    48   0.00000  1.0 1.0
   38    33    47    43   0.65300  1.0 1.0
   38    33    47    43  -0.03850 -1.0 2.0
   38    33    47    43   0.33900  1.0 3.0
   38    33    47    48   0.30150 -1.0 2.0
   38    40    41    42  -0.18600  1.0 3.0
   38    40   -41    43  -0.18600  1.0 3.0
   38    40    55    49   7.00000 -1.0 2.0
   38    40    55    57   7.00000 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    55   1.00000 -1.0 2.0
   40    41    42    45   0.28850  1.0 1.0
   40    41    42    45   2.61350 -1.0 2.0
   40    41    42    45   0.78400  1.0 3.0
   40    41    42    46   0.28850  1.0 1.0
   40    41    42    46   2.61350 -1.0 2.0
   40    41    42    46   0.78400  1.0 3.0
   40    41    43    44   7.00000 -1.0 2.0
   40    41    43    47   7.00000 -1.0 2.0
   40    55    57    58  -0.66100  1.0 1.0
   40    55    57    58   1.20850 -1.0 2.0
   40    55    57    58  -0.36000  1.0 3.0
   41    40    55    49   7.00000 -1.0 2.0
   41    40    55    57   7.00000 -1.0 2.0
   41    42   -45    49   0.28850  1.0 1.0
   41    42   -45    49   2.61350 -1.0 2.0
   41    42   -45    49   0.78400  1.0 3.0
   41    42    45    51   0.50950  1.0 1.0
   41    42    45    51   0.56650 -1.0 2.0
   41    42    45    51   0.34050  1.0 3.0
   41    42    46    53   7.00000 -1.0 2.0
   41    42    46    65   7.00000 -1.0 2.0
   41    43   -47    33  -0.33500  1.0 1.0
   41    43   -47    33   1.06600 -1.0 2.0
   41    43   -47    33  -0.14000  1.0 3.0
   41    43    47    48   1.00000 -1.0 2.0
   42    41    43    44   7.00000 -1.0 2.0
   42    41    43    47   7.00000 -1.0 2.0
   42    45    49    50   7.00000 -1.0 2.0
   42    45    49    55   7.00000 -1.0 2.0
   42    45    51    52  -0.66100  1.0 1.0
   42    45    51    52   1.20850 -1.0 2.0
   42    45    51    52  -0.36000  1.0 3.0
   42    46    53    54   1.00000 -1.0 2.0
   42    46    53    56  -1.65800  1.0 1.0
   42    46    53    56   0.77650 -1.0 2.0
   42    46    65    62   0.50400  1.0 1.0
   42    46    65    62   1.60000 -1.0 2.0
   42    46    65    62  -0.01800  1.0 3.0
   42    46    65    66   1.00000 -1.0 2.0
   45    42    46    53   7.00000 -1.0 2.0
   45    42    46    65   7.00000 -1.0 2.0
   45    49   -55    40   0.28850  1.0 1.0
   45    49   -55    40   2.61350 -1.0 2.0
   45    49   -55    40   0.78400  1.0 3.0
   45    49    55    57   0.50950  1.0 1.0
   45    49    55    57   0.56650 -1.0 2.0
   45    49    55    57   0.34050  1.0 3.0
   49    45    51    52  -0.66100  1.0 1.0
   49    45    51    52   1.20850 -1.0 2.0
   49    45    51    52  -0.36000  1.0 3.0
   49    55    57    58  -0.66100  1.0 1.0
   49    55    57    58   1.20850 -1.0 2.0
   49    55    57    58  -0.36000  1.0 3.0
   50    49    55    40  -0.18600  1.0 3.0
   50    49    55    57   0.00000  1.0 1.0
   55    40   -41    42   0.28850  1.0 1.0
   55    40   -41    42   2.61350 -1.0 2.0
   55    40   -41    42   0.78400  1.0 3.0
   55    40    41    43   0.28850  1.0 1.0
   55    40    41    43   2.61350 -1.0 2.0
   55    40    41    43   0.78400  1.0 3.0
   51    45    49    50   7.00000 -1.0 2.0
   51    45    49    55   7.00000 -1.0 2.0
   46    42    45    49   0.28850  1.0 1.0
   46    42    45    49   2.61350 -1.0 2.0
   46    42    45    49   0.78400  1.0 3.0
   46    42    45    51   0.50950  1.0 1.0
   46    42    45    51   0.56650 -1.0 2.0
   46    42    45    51   0.34050  1.0 3.0
   46    53    56    59  -0.11500  1.0 1.0
   46    53    56    59   1.10450 -1.0 2.0
   46    53    56    59  -0.48050  1.0 3.0
   46    53    56    71  -0.11500  1.0 1.0
   46    53    56    71   1.10450 -1.0 2.0
   46    53    56    71  -0.48050  1.0 3.0
   53    46    65    62   1.50000 -1.0 2.0
   53    46    65    66   2.50000 -1.0 2.0
   53    56    59    60   3.62500 -1.0 2.0
   53    56   -59    62   3.62500 -1.0 2.0
   53    56    71    67   3.62500 -1.0 2.0
   53    56    71    72   3.62500 -1.0 2.0
   54    53    56    59   1.05000 -1.0 2.0
   54    53    56    71   1.05000 -1.0 2.0
   56    59    60    61   3.62500 -1.0 2.0
   56    59    60    64   3.62500 -1.0 2.0
   56    59    62    63   1.05000 -1.0 2.0
   56    59    62    65   0.56600 -1.0 2.0
   56    71    72    73   0.84100 -1.0 2.0
   59    56    71    67   3.62500 -1.0 2.0
   59    56    71    72   3.62500 -1.0 2.0
   59    60   -64    67   3.62500 -1.0 2.0
   59    60    64    69   3.62500 -1.0 2.0
   59    62   -65    46   0.43900  1.0 1.0
   59    62   -65    46  -0.18150 -1.0 2.0
   59    62   -65    46  -0.03650  1.0 3.0
   59    62    65    66   0.03000  1.0 1.0
   59    62    65    66   0.58800 -1.0 2.0
   59    62    65    66   0.15550  1.0 3.0
   60    59    62    63   1.05000 -1.0 2.0
   60    59    62    65   0.56600 -1.0 2.0
   60    64    67    68   3.62500 -1.0 2.0
   60    64    67    71   3.62500 -1.0 2.0
   60    64    69    70   0.84100 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   64    67   -71    56   3.62500 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   67    64    69    70   0.84100 -1.0 2.0
   67    71    72    73   0.84100 -1.0 2.0
   68    67    71    56   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   71    56   -59    60   3.62500 -1.0 2.0
   71    56    59    62   3.62500 -1.0 2.0
   69    64    67    68   3.62500 -1.0 2.0
   69    64    67    71   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    64   3.62500 -1.0 2.0
   63    62    65    46   0.03000  1.0 1.0
   63    62    65    46   0.58800 -1.0 2.0
   63    62    65    46   0.15550  1.0 3.0
   63    62    65    66   0.06100 -1.0 2.0
   65    46    53    54   2.50000 -1.0 2.0
   65    46   -53    56   1.50000 -1.0 2.0
   43    41    42    45   0.28850  1.0 1.0
   43    41    42    45   2.61350 -1.0 2.0
   43    41    42    45   0.78400  1.0 3.0
   43    41    42    46   0.28850  1.0 1.0
   43    41    42    46   2.61350 -1.0 2.0
   43    41    42    46   0.78400  1.0 3.0
   44    43    47    33   0.32450 -1.0 2.0
   44    43    47    33   0.17400  1.0 3.0
   44    43    47    48  -0.11900  1.0 1.0
   44    43    47    48   0.76850 -1.0 2.0
   44    43    47    48   0.14100  1.0 3.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.65300  1.0 1.0
   47    33   -38    40  -0.03850 -1.0 2.0
   47    33   -38    40   0.33900  1.0 3.0
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    40    38    39  10.50000 -1.0 2.0
   38    41    40    55   1.10000 -1.0 2.0
   40    42    41    43   1.10000 -1.0 2.0
   41    45    42    46   1.10000 -1.0 2.0
   42    51    45    49   1.10000 -1.0 2.0
   55    50    49    45   1.10000 -1.0 2.0
   49    57    55    40   1.10000 -1.0 2.0
   53    65    46    42   1.10000 -1.0 2.0
   46    56    53    54  10.50000 -1.0 2.0
   59    71    56    53   4.00000 -1.0 2.0
   60    62    59    56   4.00000 -1.0 2.0
   64    61    60    59   1.10000 -1.0 2.0
   67    69    64    60   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   67    72    71    56   4.00000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
   46    62    65    66  10.50000 -1.0 2.0
   47    44    43    41   1.10000 -1.0 2.0
   33    43    47    48  10.50000 -1.0 2.0
END
