* LIGAND DATABASE FILE (OPLS2005)
*
001      70    73    125    209     370
    1     0 S   NP   _N1_     1    28.93434    93.62833   -20.13762
    2     1 S   H    _HN1     2     1.02931   102.33280    22.47691
    3     1 S   H    _H1_     3     1.02875    33.29655   125.33798
    4     1 S   H    _H2_     4     1.02807    78.51279   -83.76056
    5     1 S   CT   _CA1     5     1.50082   138.77493   165.91117
    6     5 S   HC   _HA1     6     1.09618   105.23445    38.09679
    7     5 S   CO3  _C1_     7     1.53995   111.54098   -81.18423
    8     7 S   O2Z  _O11     8     1.26339   115.54760   -73.22096
    9     7 S   O2Z  _O12     9     1.26268   114.70151   105.79063
   10     5 S   CT   _CB1    10     1.53098   107.34495   155.11278
   11    10 S   HC   HB11    11     1.09824   109.66144   -51.71274
   12    10 S   HC   HB12    12     1.09814   110.42850    64.80153
   13    10 S   CT   _CG1    13     1.53022   112.32604  -172.68488
   14    13 S   HC   HG11    14     1.09517   110.43863   -53.65832
   15    13 S   HC   HG12    15     1.09606   110.22420    65.34689
   16    13 S   C    _CD1    16     1.51721   111.76229  -174.45316
   17    16 S   O    _OE1    17     1.22758   122.99746   -17.53121
   18    16 S   N    _N2_    18     1.38537   111.89204   163.20214
   19    18 S   H    _HN2    19     1.01576   119.22188     2.16582
   20    18 S   CT1  _CA2    20     1.46202   123.24659  -175.94445
   21    20 S   HC   _HA2    21     1.09718   109.46876    -8.55972
   22    20 S   C    _C2_    22     1.53364   108.63273  -124.54527
   23    22 S   O    _O2_    23     1.23026   122.20771  -146.41619
   24    20 S   CT   _CB2    32     1.53370   111.04633   113.23233
   25    24 S   HC   HB21    33     1.09451   109.42118    58.93405
   26    24 S   HC   HB22    34     1.09519   110.65965   176.93510
   27    22 S   N    _N3_    24     1.38502   113.45094    41.01335
   28    27 S   H    _HN3    25     1.01517   118.90568    -0.57641
   29    24 S   S    _SG2    35     1.83023   111.67188   -63.62647
   30    27 S   CT   _CA3    26     1.45443   123.40411   175.20740
   31    30 S   HC   HA31    27     1.09527   109.18531    25.49201
   32    30 S   HC   HA32    28     1.09495   107.13573   142.47258
   33    29 S   CT   _C20    36     1.84651    99.86854   144.80355
   34    33 S   HC   _H3_    37     1.08910   101.60206    50.97075
   35    30 S   CO3  _C3_    29     1.52922   113.14145   -97.95905
   36    35 S   O2Z  _O31    30     1.26398   115.40364   -44.80784
   37    35 S   O2Z  _O32    31     1.26354   114.98656   136.13822
   38    33 S   CA   _C12    38     1.53331   113.65809   -68.22558
   39    33 S   CM   _C21    64     1.51351   109.09325   165.27249
   40    39 S   HC   _H12    65     1.08983   116.24131    58.83387
   41    38 S   CA   _C13    39     1.42396   121.92505   124.24324
   42    38 S   CA   _C11    59     1.41220   120.85508   -56.40113
   43    39 S   CMA  _C22    66     1.34970   124.93189  -121.10760
   44    43 S   OM   _O35    67     1.26076   134.53691    -0.14935
   45    41 S   CM   _C19    40     1.48434   123.21552     2.76506
   46    45 S   HC   _H11    41     1.08150   120.27769     3.46430
   47    42 S   OH   _O36    60     1.37291   120.12759    -1.73303
   48    47 S   HO   _H13    61     0.97569   109.69065   179.79923
   49    41 S   CR3  _C14    62     1.43028   120.70752  -177.55640
   50    43 S   CO3  _C23    68     1.55034   111.26795  -180.00000
   51    50 S   O2Z  _O34    69     1.26775   115.38440    89.09962
   52    50 S   O2Z  _O33    70     1.26774   115.39746   -89.66131
   53    45 S   CM   _C18    42     1.34121   122.22487  -178.05097
   54    53 S   HC   _H10    43     1.08485   120.45631  -179.45535
   55    56 S   CR3  _C15    63     1.40835   118.82874    -1.10110
   56    53 S   CA   _C16    44     1.46463   120.77958    -0.64468
   57    56 S   CA   _C17    45     1.39935   120.42453   179.67675
   58    57 S   HA   _H9_    46     1.08720   120.79399    -0.67666
   59    57 S   CA   _C4_    47     1.39190   120.04383   179.16397
   60    59 S   HA   _H4_    48     1.08632   120.00319  -179.98022
   61    59 S   CA   _C5_    49     1.39393   120.03360    -0.15066
   62    61 S   HA   _H5_    50     1.08807   118.77544  -179.84549
   63    61 S   CA   _C6_    51     1.40386   120.66751     0.12820
   64    63 S   CA   _C7_    52     1.39758   121.09288  -179.88131
   65    64 S   HA   _H6_    53     1.08783   120.75383     0.08847
   66    64 S   CA   _C8_    54     1.39311   120.41021  -179.97202
   67    66 S   HA   _H7_    55     1.08859   118.63439  -179.89913
   68    66 S   CA   _C9_    56     1.40163   120.81869     0.26980
   69    68 S   CA   _C10    57     1.39401   120.36982  -179.96574
   70    69 S   HA   _H8_    58     1.08780   119.60324     1.02755
  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
  13   6   2   1   1  15   8   3  13   8   4   3   8   4   4   1
  12   2   1   1   7   3  12   8   6   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    42    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    45    69    42    47    49    39    40    43    44    50  
   38    41    42    39    40    43  
   36    37  
   37  
    0  
   41    45    46    53    68    69    70    42    47    48    49    55    39    40    43  
   40    43    44    50    51    52    41    42  
   43    44    50  
   45    46    53    54    56    63    66    68    69    42    47    49    55  
   47    48    49    45    66    68    69    70  
   44    50    51    52  
   50    51    52  
   46    53    54    56    57    68    49    55  
   53    54    56    49  
   48    68    69    70  
   69  
   55    53    56    57    61    63    64    66    67    68    69    70  
   51    52  
   52  
    0  
   54    56    57    58    59    63    55  
   56    57    55  
   56    57    58    59    61    62    63    64    65    66    68    69  
   57    58    59    60    61    63    64    68  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64  
   61    62    63  
   62    63    64    65    66  
   63    64  
   64    65    66    67    68  
   65    66    67    68    69  
   66    67    68  
   67    68    69    70  
   68    69  
   69    70  
   70  
    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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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    39   317.000  1.510
   38    41   469.000  1.400
   38    42   469.000  1.400
   41    45   320.000  1.460
   41    49   490.000  1.398
   45    46   340.000  1.080
   45    53   549.000  1.340
   53    54   340.000  1.080
   53    56   320.000  1.460
   56    57   469.000  1.400
   56    55   490.000  1.398
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   469.000  1.400
   63    55   490.000  1.398
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.400
   68    49   490.000  1.398
   69    70   367.000  1.080
   69    42   469.000  1.400
   42    47   450.000  1.364
   47    48   553.000  0.945
   49    55   490.000  1.398
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    50   230.000  1.545
   50    51   656.000  1.250
   50    52   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    42    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  120.93500
   38    41    49    70.00000  112.88000
   38    42    69    63.00000  120.00000
   38    42    47    70.00000  120.00000
   41    45    46    40.00000  117.26300
   41    45    53    60.00000  123.20500
   41    49    68    60.00000  130.80000
   41    49    55    60.00000  130.80000
   45    53    54    35.00000  120.00000
   45    53    56    60.00000  123.20500
   53    45    46    35.00000  120.00000
   53    56    57    60.00000  120.93500
   53    56    55    60.00000  120.93500
   56    53    54    40.00000  117.26300
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    55    63    60.00000  130.80000
   56    55    49    60.00000  130.80000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    63.00000  120.00000
   61    63    55    70.00000  112.88000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    55    49    60.00000  130.80000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    49    70.00000  112.88000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    42    63.00000  120.00000
   68    49    55    60.00000  130.80000
   69    42    47    70.00000  120.00000
   42    38    41    63.00000  120.00000
   42    69    70    35.00000  120.00000
   42    47    48    35.00000  113.00000
   49    41    45    60.00000  120.93500
   49    68    69    70.00000  112.88000
   55    56    57    70.00000  112.88000
   55    63    64    70.00000  112.88000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    50    55.00000  124.75400
   43    39    40    40.00000  120.50800
   43    50    51    85.00000  113.83300
   43    50    52    85.00000  113.83300
   50    43    44    65.00000  121.00000
   52    50    51    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    41    49   3.62500 -1.0 2.0
   33    38    42    69   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    50   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   0.56550  1.0 3.0
   38    41    45    53   0.15800  1.0 1.0
   38    41    45    53   1.85350 -1.0 2.0
   38    41    45    53  -0.48700  1.0 3.0
   38    41    49    68   3.62500 -1.0 2.0
   38    41    49    55   3.62500 -1.0 2.0
   38    42    47    48   0.84100 -1.0 2.0
   41    38    42    69   3.62500 -1.0 2.0
   41    38    42    47   3.62500 -1.0 2.0
   41    45    53    54   7.00000 -1.0 2.0
   41    45    53    56   7.00000 -1.0 2.0
   41    49   -55    56   3.62500 -1.0 2.0
   41    49    55    63   3.62500 -1.0 2.0
   45    41    49    68   3.62500 -1.0 2.0
   45    41    49    55   3.62500 -1.0 2.0
   45    53    56    57   0.15800  1.0 1.0
   45    53    56    57   1.85350 -1.0 2.0
   45    53    56    57  -0.48700  1.0 3.0
   45    53   -56    55   0.15800  1.0 1.0
   45    53   -56    55   1.85350 -1.0 2.0
   45    53   -56    55  -0.48700  1.0 3.0
   46    45    53    54   7.00000 -1.0 2.0
   46    45    53    56   7.00000 -1.0 2.0
   53    56    57    58   3.62500 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    55    63   3.62500 -1.0 2.0
   53    56    55    49   3.62500 -1.0 2.0
   54    53    56    57   0.56550  1.0 3.0
   54    53    56    55   0.56550  1.0 3.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   57    56    55    63   3.62500 -1.0 2.0
   57    56    55    49   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59   -61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61    63    55   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    66   3.62500 -1.0 2.0
   61    63   -55    56   3.62500 -1.0 2.0
   61    63    55    49   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    55   3.62500 -1.0 2.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    68   3.62500 -1.0 2.0
   64    63    55    56   3.62500 -1.0 2.0
   64    63    55    49   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66   -68    49   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    42   3.62500 -1.0 2.0
   66    68    49    41   3.62500 -1.0 2.0
   66    68    49    55   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    49   3.62500 -1.0 2.0
   68    69   -42    38   3.62500 -1.0 2.0
   68    69    42    47   3.62500 -1.0 2.0
   68    49    55    56   3.62500 -1.0 2.0
   68    49   -55    63   3.62500 -1.0 2.0
   69    68   -49    41   3.62500 -1.0 2.0
   69    68    49    55   3.62500 -1.0 2.0
   69    42    47    48   0.84100 -1.0 2.0
   70    69    42    38   3.62500 -1.0 2.0
   70    69    42    47   3.62500 -1.0 2.0
   42    38    41    45   3.62500 -1.0 2.0
   42    38    41    49   3.62500 -1.0 2.0
   49    41    45    46   0.56550  1.0 3.0
   49    41   -45    53   0.15800  1.0 1.0
   49    41   -45    53   1.85350 -1.0 2.0
   49    41   -45    53  -0.48700  1.0 3.0
   49    68    69    70   3.62500 -1.0 2.0
   49    68   -69    42   3.62500 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56   -57    59   3.62500 -1.0 2.0
   55    63    64    65   3.62500 -1.0 2.0
   55    63   -64    66   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    42   0.18050 -1.0 2.0
   39    43    50    51  -0.04000 -1.0 2.0
   39    43    50    51  -0.29050  1.0 3.0
   39    43    50    52  -0.04000 -1.0 2.0
   39    43    50    52  -0.29050  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    50   7.00000 -1.0 2.0
   44    43    50    51   1.68800 -1.0 2.0
   44    43    50    52   1.68800 -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
   41    42    38    33   4.00000 -1.0 2.0
   45    49    41    38   4.00000 -1.0 2.0
   41    46    45    53   1.10000 -1.0 2.0
   56    54    53    45   1.10000 -1.0 2.0
   57    55    56    53   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   64    55    63    61   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   69    49    68    66   4.00000 -1.0 2.0
   42    70    69    68   1.10000 -1.0 2.0
   69    47    42    38   4.00000 -1.0 2.0
   68    55    49    41   4.00000 -1.0 2.0
   63    49    55    56   4.00000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   50    44    43    39  15.00000 -1.0 2.0
   51    43    50    52  10.50000 -1.0 2.0
END
