* LIGAND DATABASE FILE (OPLS2005)
*
001      65    67    119    196     354
    1     0 S   NP   _N1_     1    30.49185    98.13939   -26.32470
    2     1 S   H    _HN1     2     1.02852    75.17618   -54.48564
    3     1 S   H    _H1_     3     1.02752    52.54095   179.27315
    4     1 S   H    _H2_     4     1.03481   158.58280  -156.56423
    5     1 S   CT   _CA1     5     1.50078    85.63451    58.47565
    6     5 S   HC   _HA1     6     1.09550   104.88008   106.46738
    7     5 S   CO3  _C1_     7     1.53679   113.33999   -14.13150
    8     7 S   O2Z  _O11     8     1.26400   115.09722   -32.42923
    9     7 S   O2Z  _O12     9     1.26246   115.02853   146.93719
   10     5 S   CT   _CB1    10     1.53027   107.43459  -135.10536
   11    10 S   HC   HB11    11     1.09557   109.47353   -39.83486
   12    10 S   HC   HB12    12     1.09839   110.39134    75.75554
   13    10 S   CT   _CG1    13     1.53240   112.97689  -162.46386
   14    13 S   HC   HG11    14     1.09554   110.86285   -96.16285
   15    13 S   HC   HG12    15     1.09607   111.63550    23.08652
   16    13 S   C    _CD1    16     1.51537   109.39234   143.85040
   17    16 S   O    _OE1    17     1.22803   121.80906    85.84502
   18    16 S   N    _N2_    18     1.38542   112.51862   -90.86170
   19    18 S   H    _HN2    19     1.01597   119.18570    -4.90600
   20    18 S   CT1  _CA2    20     1.46230   123.64022   174.05410
   21    20 S   HC   _HA2    21     1.09707   109.25297    -6.82886
   22    20 S   C    _C2_    22     1.53831   109.20903  -122.71613
   23    22 S   O    _O2_    23     1.23097   121.99968  -158.82009
   24    20 S   CT   _CB2    32     1.53433   111.43401   115.47434
   25    24 S   HC   HB21    33     1.09405   109.17973    56.60967
   26    24 S   HC   HB22    34     1.09502   110.50438   175.26728
   27    22 S   N    _N3_    24     1.38311   114.20022    27.70280
   28    27 S   H    _HN3    25     1.01431   119.09996    -2.32709
   29    24 S   S    _SG2    35     1.82551   111.68436   -64.78635
   30    27 S   CT   _CA3    26     1.45325   123.39122   178.15687
   31    30 S   HC   HA31    27     1.09553   107.22350   -69.37124
   32    30 S   HC   HA32    28     1.09557   108.19628    46.96770
   33    29 S   CT   _C11    36     1.84805    99.99307   176.04849
   34    33 S   HC   _H5_    37     1.09771   105.80655    48.99756
   35    30 S   CO3  _C3_    29     1.53032   114.40572   169.03271
   36    35 S   O2Z  _O31    30     1.26432   116.33722    -6.63259
   37    35 S   O2Z  _O32    31     1.26412   114.43863   173.49338
   38    33 S   CT   _C10    38     1.54717   113.53132   -68.65168
   39    38 S   HC   _H4_    39     1.09916   108.01155    65.04548
   40    38 S   CT   _C9_    40     1.54230   108.16093   179.29557
   41    40 S   HC   _H3_    41     1.10218   106.34148   -63.44395
   42    38 S   CO3  _C17    63     1.54775   113.85341   -52.04978
   43    42 S   O2Z  _O40    64     1.26059   116.96638   -81.00490
   44    42 S   O2Z  _O39    65     1.26745   114.31200    98.86650
   45    40 S   CM   _C13    42     1.51636   114.97421    52.97160
   46    45 S   CMA  _C14    43     1.37156   124.79201   143.70858
   47    46 S   OM   _O35    44     1.27279   126.06230   178.09320
   48    45 S   NE   _N5_    56     1.39466   114.00907   -37.59692
   49    48 S   H    _H8_    57     1.01881   113.08678  -177.27236
   50    46 S   CMA  _C15    45     1.54052   119.55480    -4.19447
   51    50 S   OM   _O36    46     1.27027   115.87962   175.62780
   52    33 S   CT1  _C12    58     1.53800   108.91462   165.83063
   53    52 S   HC   _H6_    59     1.09815   109.83248    52.89563
   54    50 S   CM   _C5_    47     1.34566   117.06293    -5.81494
   55    52 S   CO3  _C16    60     1.54831   115.49715   -69.51711
   56    55 S   O2Z  _O38    61     1.26397   116.64639   -27.00945
   57    55 S   O2Z  _O37    62     1.26718   114.58865   153.05656
   58    54 S   CM   _C4_    48     1.43455   132.59521  -176.18084
   59    58 S   HC   _H7_    49     1.07663   126.27253     0.90352
   60    58 S   CM   _C7_    50     1.34339   105.62571  -179.72375
   61    60 S   NI   _N4_    51     1.39305   114.45607     1.24694
   62    60 S   CO3  _C8_    53     1.53931   123.95827  -179.97202
   63    62 S   O2Z  _O34    54     1.26604   115.91597     2.76534
   64    62 S   O2Z  _O33    55     1.26587   115.54860  -177.02001
   65    40 S   CD   _C6_    52     1.49451   112.96618  -177.24985
  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  10   5   4   3
  17   8   2   1   1  15   8  16   7   5   1   1  12   9   4   8
   3   7   3   4   3   6   2   1   1   7   4   5   4   3   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    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    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    65    48    49    52    53    55    56    57    42    43    44  
   38    39    40    48    52    53    55    42  
   36    37  
   37  
    0  
   39    40    41    45    46    54    61    65    48    52    53    55    42    43    44  
   40    41    45    65    52    42    43    44  
   41    45    46    47    50    54    58    60    61    65    48    49    52    42    43    44  
   45    46    54    61    65    48    42  
   43    44    45    52    65  
   44  
    0  
   46    47    50    51    54    61    65    48    49    52    53    55  
   47    50    51    54    58    65    48    49    52  
   50    51    54    48  
   49    52    53    55    56    57    50    65  
   52    53    55  
   51    54    58    59    60    61    65  
   54    58    65  
   53    55    56    57  
   55    56    57  
   58    59    60    61    65    62  
   56    57  
   57  
    0  
   59    60    61    65    62    63    64  
   60    61    65    62  
   61    65    62    63    64  
   65    62    63    64  
   63    64    65  
   64  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.604500   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.187800   2.0020   1.7750   0.023028004  -0.852763146
   61   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   62   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    45   317.000  1.510
   40    65   270.000  1.508
   45    46   465.000  1.376
   45    48   425.000  1.378
   46    47   745.000  1.250
   46    50   465.000  1.376
   50    51   745.000  1.250
   50    54   465.000  1.376
   54    58   380.000  1.444
   54    65   320.000  1.464
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   405.000  1.380
   60    62   230.000  1.545
   61    65   500.000  1.261
   62    63   656.000  1.250
   62    64   656.000  1.250
   48    49   434.000  1.010
   48    52   382.000  1.448
   52    53   340.000  1.090
   52    55   317.000  1.522
   55    56   656.000  1.250
   55    57   656.000  1.250
   42    43   656.000  1.250
   42    44   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    75.00000  111.63000
   29    33    52    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  109.69300
   33    52    48    80.00000  111.61500
   33    52    53    37.50000  110.70000
   33    52    55    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    45    70.00000  112.02700
   38    40    65    70.00000  111.76100
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   40    38    39    37.50000  110.70000
   40    45    46    70.00000  124.00000
   40    45    48    75.00000  116.24600
   40    65    54    65.00000  117.24000
   40    65    61    65.00000  122.10100
   45    40    41    35.00000  109.50000
   45    46    47    65.00000  137.10300
   45    46    50    70.00000  117.34000
   45    48    49    35.00000  114.50000
   45    48    52    50.00000  121.00000
   46    50    51    65.00000  137.10300
   46    50    54    70.00000  117.34000
   50    46    47    65.00000  137.10300
   50    54    58    70.00000  117.34000
   50    54    65    60.00000  120.31500
   54    50    51    65.00000  137.10300
   54    58    59    35.00000  120.00000
   54    58    60    70.00000  123.01800
   54    65    61    70.00000  121.86000
   58    60    61    70.00000  120.83400
   58    60    62    55.00000  124.75400
   60    58    59    35.00000  120.00000
   60    61    65    75.00000  115.77100
   60    62    63    85.00000  113.83300
   60    62    64    85.00000  113.83300
   65    40    41    45.00000  109.49600
   65    40    45    70.00000  110.51600
   65    54    58    60.00000  120.31500
   62    60    61    70.00000  120.00000
   64    62    63    80.00000  126.00000
   48    45    46    70.00000  124.03900
   48    52    53    35.00000  109.50000
   48    52    55    63.00000  110.10000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    48    49    35.00000  112.50000
   52    55    56    70.00000  117.00000
   52    55    57    70.00000  117.00000
   55    52    53    35.00000  109.50000
   57    55    56    80.00000  126.00000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  109.69300
   44    42    43    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   0.01700  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    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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    48   0.71400  1.0 1.0
   29    33    52    48   0.04300 -1.0 2.0
   29    33    52    48   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    55  -2.17200  1.0 1.0
   29    33    52    55  -0.85700 -1.0 2.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    45   0.34400  1.0 1.0
   33    38    40    45   0.09450 -1.0 2.0
   33    38    40    45   0.11100  1.0 3.0
   33    38    40    65   0.34400  1.0 1.0
   33    38    40    65   0.09450 -1.0 2.0
   33    38    40    65   0.11100  1.0 3.0
   33    38    42    43   0.41150 -1.0 2.0
   33    38    42    44   0.41150 -1.0 2.0
   33    52    55    56   0.00000  1.0 1.0
   33    52    55    57   0.00000  1.0 1.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    52    48   0.22950  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    55  -0.03800  1.0 3.0
   38    33    52    48   1.26750  1.0 1.0
   38    33    52    48  -0.00950 -1.0 2.0
   38    33    52    48   0.30600  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    55  -0.84850  1.0 1.0
   38    33    52    55  -0.22800 -1.0 2.0
   38    33    52    55   0.29250  1.0 3.0
   38    40    45    46   0.09850  1.0 1.0
   38    40    45    46   0.15250 -1.0 2.0
   38    40    45    46  -0.50650  1.0 3.0
   38    40   -45    48  -0.93550  1.0 1.0
   38    40   -45    48   0.38900 -1.0 2.0
   38    40   -45    48   0.16950  1.0 3.0
   38    40    65    54   0.09850  1.0 1.0
   38    40    65    54   0.15250 -1.0 2.0
   38    40    65    54  -0.50650  1.0 3.0
   38    40    65    61   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    40    65   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   40    38    42    43   0.41150 -1.0 2.0
   40    38    42    44   0.41150 -1.0 2.0
   40    45    46    47   7.00000 -1.0 2.0
   40    45    46    50   7.00000 -1.0 2.0
   40    45    48    49   2.40850 -1.0 2.0
   40    45    48    52   1.00000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48  -0.18050  1.0 3.0
   41    40    65    54   0.00000  1.0 1.0
   41    40    65    61   0.00000  1.0 1.0
   45    40    65    54  -0.28300  1.0 1.0
   45    40    65    54   0.26700 -1.0 2.0
   45    40    65    54  -0.63300  1.0 3.0
   45    40    65    61   0.00000  1.0 1.0
   45    46    50    51   7.00000 -1.0 2.0
   45    46   -50    54   7.00000 -1.0 2.0
   45    48   -52    33   0.25450  1.0 1.0
   45    48   -52    33  -0.61700 -1.0 2.0
   45    48   -52    33  -0.23550  1.0 3.0
   45    48    52    53   0.00000  1.0 1.0
   45    48    52    55  -0.12500  1.0 1.0
   45    48    52    55  -0.12500 -1.0 2.0
   45    48    52    55   0.25000  1.0 3.0
   46    45    48    49   1.00000 -1.0 2.0
   46    45    48    52  -0.54700  1.0 1.0
   46    45    48    52   1.23000 -1.0 2.0
   46    50    54    58   7.00000 -1.0 2.0
   46    50    54    65   7.00000 -1.0 2.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    54    58    59  -0.18600  1.0 3.0
   50    54    58    60   0.28850  1.0 1.0
   50    54    58    60   2.61350 -1.0 2.0
   50    54    58    60   0.78400  1.0 3.0
   50    54   -65    40   0.69550 -1.0 2.0
   50    54    65    61   1.09650  1.0 1.0
   50    54    65    61   0.48950 -1.0 2.0
   50    54    65    61   0.49400  1.0 3.0
   51    50    54    58   7.00000 -1.0 2.0
   51    50    54    65   7.00000 -1.0 2.0
   54    58   -60    61   7.00000 -1.0 2.0
   54    58    60    62   7.00000 -1.0 2.0
   58    54    65    40   0.69550 -1.0 2.0
   58    54   -65    61   1.09650  1.0 1.0
   58    54   -65    61   0.48950 -1.0 2.0
   58    54   -65    61   0.49400  1.0 3.0
   58    60   -61    65   1.00000 -1.0 2.0
   58    60    62    63  -0.04000 -1.0 2.0
   58    60    62    63  -0.29050  1.0 3.0
   58    60    62    64  -0.04000 -1.0 2.0
   58    60    62    64  -0.29050  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    61    65    40   6.00000 -1.0 2.0
   60    61   -65    54   6.00000 -1.0 2.0
   61    60    62    63   1.68800 -1.0 2.0
   61    60    62    64   1.68800 -1.0 2.0
   65    40   -45    46  -0.28300  1.0 1.0
   65    40   -45    46   0.26700 -1.0 2.0
   65    40   -45    46  -0.63300  1.0 3.0
   65    40    45    48  -1.35150  1.0 1.0
   65    40    45    48   0.13900 -1.0 2.0
   65    40    45    48   0.25250  1.0 3.0
   65    54    58    59  -0.18600  1.0 3.0
   65    54   -58    60   0.28850  1.0 1.0
   65    54   -58    60   2.61350 -1.0 2.0
   65    54   -58    60   0.78400  1.0 3.0
   62    60    61    65   1.00000 -1.0 2.0
   48    45    46    47   7.00000 -1.0 2.0
   48    45    46    50   7.00000 -1.0 2.0
   48    52    55    56   0.00000  1.0 1.0
   48    52    55    57   0.00000  1.0 1.0
   49    48    52    33   0.00000  1.0 1.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    55   0.00000  1.0 1.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    42  -0.84850  1.0 1.0
   52    33    38    42  -0.22800 -1.0 2.0
   52    33    38    42   0.29250  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    45  -0.98800  1.0 1.0
   42    38    40    45   0.48800 -1.0 2.0
   42    38    40    45   0.76800  1.0 3.0
   42    38    40    65  -0.98800  1.0 1.0
   42    38    40    65   0.48800 -1.0 2.0
   42    38    40    65   0.76800  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
   40    48    45    46   1.10000 -1.0 2.0
   50    47    46    45   1.10000 -1.0 2.0
   46    51    50    54   1.10000 -1.0 2.0
   58    65    54    50   1.10000 -1.0 2.0
   54    59    58    60   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   40    54    65    61  10.50000 -1.0 2.0
   63    60    62    64  10.50000 -1.0 2.0
   49    45    48    52   1.00000 -1.0 2.0
   56    52    55    57  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
