* LIGAND DATABASE FILE (OPLS2005)
*
001      69    73    128    218     380
    1     0 S   NP   _N1_     1    28.83474    98.92313   -21.88877
    2     1 S   H    _HN1     2     1.02950    59.64689    15.24107
    3     1 S   H    _H1_     3     1.02828    55.52785   159.81639
    4     1 S   H    _H2_     4     1.02785    95.98623   -92.56014
    5     1 S   CT   _CA1     5     1.50114   151.75190    91.55667
    6     5 S   HC   _HA1     6     1.09573   105.19531   114.21920
    7     5 S   CO3  _C1_     7     1.53795   112.46173    -6.01464
    8     7 S   O2Z  _O11     8     1.26374   115.00801   -42.44491
    9     7 S   O2Z  _O12     9     1.26242   114.95192   136.68377
   10     5 S   CT   _CB1    10     1.53081   107.41771  -127.79522
   11    10 S   HC   HB11    11     1.09832   109.38483   -49.65135
   12    10 S   HC   HB12    12     1.09813   110.44421    66.96511
   13    10 S   CT   _CG1    13     1.52981   112.59409  -170.62722
   14    13 S   HC   HG11    14     1.09585   110.61751   -65.42751
   15    13 S   HC   HG12    15     1.09670   109.79840    53.79776
   16    13 S   C    _CD1    16     1.51797   112.25188   174.25645
   17    16 S   O    _OE1    17     1.22728   123.30564     6.28759
   18    16 S   N    _N2_    18     1.38629   111.63743  -173.78271
   19    18 S   H    _HN2    19     1.01584   118.95220     1.64877
   20    18 S   CT1  _CA2    20     1.46206   123.47517   178.08337
   21    20 S   HC   _HA2    21     1.09732   109.37509     3.90345
   22    20 S   C    _C2_    22     1.53551   108.78303  -111.70469
   23    22 S   O    _O2_    23     1.23072   122.23605  -148.47699
   24    20 S   CT   _CB2    32     1.53278   111.35473   125.90765
   25    24 S   HC   HB21    33     1.09473   109.89898    56.58235
   26    24 S   HC   HB22    34     1.09511   110.38536   175.36287
   27    22 S   N    _N3_    24     1.38320   113.77584    39.01081
   28    27 S   H    _HN3    25     1.01578   119.59184    -3.32673
   29    24 S   S    _SG2    35     1.82714   111.44040   -65.18163
   30    27 S   CT   _CA3    26     1.45287   123.20741   177.12778
   31    30 S   HC   HA31    27     1.09550   107.51625   -64.46855
   32    30 S   HC   HA32    28     1.09558   107.97423    51.96362
   33    29 S   CT   _C20    36     1.85656    99.46447   170.49991
   34    33 S   HC   _H3_    37     1.09419   107.99884    23.47033
   35    30 S   CO3  _C3_    29     1.52961   114.09566   173.96915
   36    35 S   O2Z  _O31    30     1.26374   116.07938    -0.26319
   37    35 S   O2Z  _O32    31     1.26431   114.40874   179.78971
   38    33 S   CA   _C12    38     1.52840   108.31577   143.09977
   39    38 S   CA   _C13    39     1.41598   123.08375   -85.45360
   40    38 S   CA   _C11    59     1.41535   117.80255    91.54617
   41    39 S   CM   _C19    40     1.48087   122.73344    -1.86414
   42    41 S   HC   _H12    41     1.08227   119.83881     0.83930
   43    40 S   CM   _C23    60     1.47011   120.86471     2.31088
   44    43 S   HC   _H14    61     1.08475   118.94593  -166.00027
   45    39 S   CR3  _C14    68     1.42332   120.17264   177.67392
   46    41 S   CM   _C18    42     1.34126   121.71771  -179.55150
   47    46 S   HC   _H11    43     1.08481   120.58917  -179.86294
   48    43 S   CM   _C22    62     1.33925   120.34505    16.39455
   49    48 S   HC   _H13    63     1.08558   119.55338   176.97631
   50    51 S   CR3  _C15    69     1.40976   118.91627    -0.43701
   51    46 S   CA   _C16    44     1.46671   120.67796    -0.25641
   52    33 S   CT   _C21    64     1.55151   112.36801   -93.66405
   53    52 S   HC   _H4_    65     1.09832   108.55542   164.94849
   54    51 S   CA   _C17    45     1.39902   120.45450   179.88465
   55    54 S   HA   _H10    46     1.08718   120.82665    -0.30132
   56    52 S   OH   _O33    66     1.42412   111.27624    48.31355
   57    56 S   HO   _H15    67     0.97242   107.85748   178.44091
   58    54 S   CA   _C4_    47     1.39223   120.02340   179.63256
   59    58 S   HA   _H5_    48     1.08637   119.97815  -180.00000
   60    58 S   CA   _C5_    49     1.39435   120.08938    -0.08393
   61    60 S   HA   _H6_    50     1.08807   118.77235  -179.89532
   62    60 S   CA   _C6_    51     1.40386   120.68194     0.06256
   63    62 S   CA   _C7_    52     1.39848   121.22645  -179.85735
   64    63 S   HA   _H7_    53     1.08794   120.66917     0.00000
   65    63 S   CA   _C8_    54     1.39427   120.52069   179.91607
   66    65 S   HA   _H8_    55     1.08834   118.57095  -179.89721
   67    65 S   CA   _C9_    56     1.40163   120.87337     0.16071
   68    67 S   CA   _C10    57     1.39940   120.64154  -179.98022
   69    68 S   HA   _H9_    58     1.08956   119.47764     0.13417
  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
  14   7   2   1   1  16  14  11   8   4   9   4  12   7   3   6
   3  12   8   3   2   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    68    40    43    48    49    52    53    56    57    45  
   38    39    40    48    52    53    56  
   36    37  
   37  
    0  
   39    41    42    46    67    68    69    40    43    44    48    52    53    56    45    50  
   41    42    46    47    51    62    65    67    68    40    43    52    45    50  
   43    44    48    49    52    45    41    65    67    68    69  
   42    46    47    51    54    67    45    50  
   46    47    51    45  
   44    48    49    52    53    56    67    68    69  
   48    49    52    68  
   50    46    51    54    60    62    63    65    66    67    68    69  
   47    51    54    55    58    62    50  
   51    54    50  
   49    52    53    56    57    68  
   52    53    56  
   51    54    55    58    60    61    62    63    64    65    67    68  
   54    55    58    59    60    62    63    67  
   53    56    57  
   56    57  
   55    58    59    60    61    62  
   58    59    60  
   57  
    0  
   59    60    61    62    63  
   60    61    62  
   61    62    63    64    65  
   62    63  
   63    64    65    66    67  
   64    65    66    67    68  
   65    66    67  
   66    67    68    69  
   67    68  
   68    69  
   69  
    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   0.000000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   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    52   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    51   320.000  1.460
   51    54   469.000  1.400
   51    50   490.000  1.398
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   469.000  1.400
   62    50   490.000  1.398
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.400
   67    45   490.000  1.398
   68    69   367.000  1.080
   68    40   469.000  1.400
   40    43   320.000  1.460
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    49   340.000  1.080
   48    52   317.000  1.510
   52    53   340.000  1.090
   52    56   320.000  1.410
   56    57   553.000  0.945
   45    50   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    52    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    52    48    70.00000  112.02700
   33    52    53    37.50000  110.70000
   33    52    56    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    68    63.00000  120.00000
   38    40    43    60.00000  120.93500
   39    41    42    40.00000  117.26300
   39    41    46    60.00000  123.20500
   39    45    67    60.00000  130.80000
   39    45    50    60.00000  130.80000
   41    46    47    35.00000  120.00000
   41    46    51    60.00000  123.20500
   46    41    42    35.00000  120.00000
   46    51    54    60.00000  120.93500
   46    51    50    60.00000  120.93500
   51    46    47    40.00000  117.26300
   51    54    55    35.00000  120.00000
   51    54    58    63.00000  120.00000
   51    50    62    60.00000  130.80000
   51    50    45    60.00000  130.80000
   54    58    59    35.00000  120.00000
   54    58    60    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    63.00000  120.00000
   60    62    50    70.00000  112.88000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    50    45    60.00000  130.80000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    45    70.00000  112.88000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    40    63.00000  120.00000
   67    45    50    60.00000  130.80000
   68    40    43    60.00000  120.93500
   40    38    39    63.00000  120.00000
   40    68    69    35.00000  120.00000
   40    43    44    40.00000  117.26300
   40    43    48    60.00000  123.20500
   43    48    49    35.00000  120.00000
   43    48    52    70.00000  124.00000
   48    43    44    35.00000  120.00000
   48    52    53    35.00000  109.50000
   48    52    56    90.00000  110.39200
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.17500
   52    48    49    35.00000  117.00000
   52    56    57    55.00000  108.50000
   56    52    53    35.00000  109.50000
   45    39    41    60.00000  120.93500
   45    67    68    70.00000  112.88000
   50    51    54    70.00000  112.88000
   50    62    63    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   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    68   3.62500 -1.0 2.0
   33    38    40    43   3.62500 -1.0 2.0
   33    52    56    57  -0.11600  1.0 1.0
   33    52    56    57  -0.09450 -1.0 2.0
   33    52    56    57   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    52    48   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    56   0.23400  1.0 3.0
   38    33    52    48   0.21200  1.0 1.0
   38    33    52    48   0.16900 -1.0 2.0
   38    33    52    48  -1.15100  1.0 3.0
   38    33    52    53   0.43200  1.0 3.0
   38    33    52    56   1.13150  1.0 1.0
   38    33    52    56  -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    67   3.62500 -1.0 2.0
   38    39    45    50   3.62500 -1.0 2.0
   38    40    43    44   0.56550  1.0 3.0
   38    40   -43    48   0.15800  1.0 1.0
   38    40   -43    48   1.85350 -1.0 2.0
   38    40   -43    48  -0.48700  1.0 3.0
   39    38    40    68   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    51   7.00000 -1.0 2.0
   39    45   -50    51   3.62500 -1.0 2.0
   39    45    50    62   3.62500 -1.0 2.0
   41    39    45    67   3.62500 -1.0 2.0
   41    39    45    50   3.62500 -1.0 2.0
   41    46    51    54   0.15800  1.0 1.0
   41    46    51    54   1.85350 -1.0 2.0
   41    46    51    54  -0.48700  1.0 3.0
   41    46   -51    50   0.15800  1.0 1.0
   41    46   -51    50   1.85350 -1.0 2.0
   41    46   -51    50  -0.48700  1.0 3.0
   42    41    46    47   7.00000 -1.0 2.0
   42    41    46    51   7.00000 -1.0 2.0
   46    51    54    55   3.62500 -1.0 2.0
   46    51    54    58   3.62500 -1.0 2.0
   46    51    50    62   3.62500 -1.0 2.0
   46    51    50    45   3.62500 -1.0 2.0
   47    46    51    54   0.56550  1.0 3.0
   47    46    51    50   0.56550  1.0 3.0
   51    54    58    59   3.62500 -1.0 2.0
   51    54    58    60   3.62500 -1.0 2.0
   54    51    50    62   3.62500 -1.0 2.0
   54    51    50    45   3.62500 -1.0 2.0
   54    58    60    61   3.62500 -1.0 2.0
   54    58   -60    62   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    60   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60    62    50   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    65   3.62500 -1.0 2.0
   60    62   -50    51   3.62500 -1.0 2.0
   60    62    50    45   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    50   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    67   3.62500 -1.0 2.0
   63    62    50    51   3.62500 -1.0 2.0
   63    62    50    45   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65   -67    45   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    69   3.62500 -1.0 2.0
   65    67    68    40   3.62500 -1.0 2.0
   65    67    45    39   3.62500 -1.0 2.0
   65    67    45    50   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    45   3.62500 -1.0 2.0
   67    68   -40    38   3.62500 -1.0 2.0
   67    68    40    43   3.62500 -1.0 2.0
   67    45    50    51   3.62500 -1.0 2.0
   67    45   -50    62   3.62500 -1.0 2.0
   68    67   -45    39   3.62500 -1.0 2.0
   68    67    45    50   3.62500 -1.0 2.0
   68    40    43    44   0.56550  1.0 3.0
   68    40    43    48   0.15800  1.0 1.0
   68    40    43    48   1.85350 -1.0 2.0
   68    40    43    48  -0.48700  1.0 3.0
   69    68    40    38   3.62500 -1.0 2.0
   69    68    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   7.00000 -1.0 2.0
   40    43    48    52   7.00000 -1.0 2.0
   43    48   -52    33   0.09850  1.0 1.0
   43    48   -52    33   0.15250 -1.0 2.0
   43    48   -52    33  -0.50650  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    56   0.67800  1.0 1.0
   43    48    52    56   0.47050 -1.0 2.0
   43    48    52    56  -0.62500  1.0 3.0
   44    43    48    49   7.00000 -1.0 2.0
   44    43    48    52   7.00000 -1.0 2.0
   48    52    56    57  -0.07800  1.0 1.0
   48    52    56    57  -0.21500 -1.0 2.0
   48    52    56    57  -0.03150  1.0 3.0
   49    48    52    33   0.00000  1.0 1.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    56   0.00000  1.0 1.0
   52    33    38    39   0.04150 -1.0 2.0
   52    33   -38    40   0.04150 -1.0 2.0
   53    52    56    57   0.19450  1.0 3.0
   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    67    68    69   3.62500 -1.0 2.0
   45    67   -68    40   3.62500 -1.0 2.0
   50    51    54    55   3.62500 -1.0 2.0
   50    51   -54    58   3.62500 -1.0 2.0
   50    62    63    64   3.62500 -1.0 2.0
   50    62   -63    65   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
   51    47    46    41   1.10000 -1.0 2.0
   54    50    51    46   4.00000 -1.0 2.0
   58    55    54    51   1.10000 -1.0 2.0
   60    59    58    54   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   63    50    62    60   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   68    45    67    65   4.00000 -1.0 2.0
   40    69    68    67   1.10000 -1.0 2.0
   68    43    40    38   4.00000 -1.0 2.0
   40    44    43    48   1.10000 -1.0 2.0
   52    49    48    43   1.10000 -1.0 2.0
   67    50    45    39   4.00000 -1.0 2.0
   62    45    50    51   4.00000 -1.0 2.0
END
