* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    146    236     437
    1     0 S   NP   _N1_     1    28.72096    95.07740   -22.19804
    2     1 S   H    _HN1     2     1.02954    83.70026    25.46821
    3     1 S   H    _H1_     3     1.02828    32.91614   161.06197
    4     1 S   H    _H2_     4     1.02779    94.53299   -82.52524
    5     1 S   CT   _CA1     5     1.50112   142.42991   141.02222
    6     5 S   HC   _HA1     6     1.09573   105.22686    70.65326
    7     5 S   CO3  _C1_     7     1.53818   112.39834   -49.59420
    8     7 S   O2Z  _O11     8     1.26370   115.00716   -43.51200
    9     7 S   O2Z  _O12     9     1.26241   114.94752   135.62258
   10     5 S   CT   _CB1    10     1.53087   107.41922  -171.38245
   11    10 S   HC   HB11    11     1.09824   109.43431   -50.02027
   12    10 S   HC   HB12    12     1.09817   110.41212    66.60156
   13    10 S   CT   _CG1    13     1.52955   112.56965  -171.05313
   14    13 S   HC   HG11    14     1.09598   110.46542   -63.28624
   15    13 S   HC   HG12    15     1.09659   109.94988    55.91107
   16    13 S   C    _CD1    16     1.51797   112.36192   176.35052
   17    16 S   O    _OE1    17     1.22713   123.33709    -0.41212
   18    16 S   N    _N2_    18     1.38580   111.48148   179.59122
   19    18 S   H    _HN2    19     1.01585   118.96385     2.06128
   20    18 S   CT1  _CA2    20     1.46141   123.61747  -179.52358
   21    20 S   HC   _HA2    21     1.09741   109.32957    -5.38732
   22    20 S   C    _C2_    22     1.53520   108.46248  -120.72799
   23    22 S   O    _O2_    23     1.23028   122.43964  -149.84753
   24    20 S   CT   _CB2    32     1.53684   111.52969   116.64042
   25    24 S   HC   HB21    33     1.09258   109.53834    55.00932
   26    24 S   HC   HB22    34     1.09362   109.08075   173.80527
   27    22 S   N    _N3_    24     1.38392   113.57858    37.80611
   28    27 S   H    _HN3    25     1.01618   119.45905    -3.67440
   29    24 S   S    _SG2    35     1.83397   110.96585   -66.58409
   30    27 S   CT   _CA3    26     1.45270   123.13483   176.96927
   31    30 S   HC   HA31    27     1.09552   107.53087   -63.89644
   32    30 S   HC   HA32    28     1.09559   107.94774    52.51417
   33    29 S   CT   _C10    36     1.87158   104.06447   174.08348
   34    30 S   CO3  _C3_    29     1.52927   114.13696   174.50328
   35    34 S   O2Z  _O31    30     1.26366   116.07324    -0.46604
   36    34 S   O2Z  _O32    31     1.26432   114.40610   179.58646
   37    33 S   CM   _C17    37     1.52864   107.66892    41.24112
   38    33 S   CT   _C9_    54     1.57601   110.57529   166.59238
   39    38 S   HC   _H5_    55     1.09478   109.96913  -117.57226
   40    37 S   CMA  _C16    38     1.35161   112.81778  -110.07554
   41    40 S   OM   _O33    39     1.25761   135.14404   178.65681
   42    38 S   OH   _O34    56     1.42064   115.40681     1.00542
   43    42 S   HO   _H24    57     0.97217   107.53109   178.94075
   44    37 S   CT   _C18    71     1.50025   121.71376    69.12710
   45    44 S   HC   _H21    72     1.09363   111.29053   -54.03814
   46    44 S   HC   _H22    73     1.09488   111.97592  -173.83038
   47    44 S   HC   _H23    74     1.09359   110.82467    66.52817
   48    40 S   CT   _C15    40     1.51866   110.56484    -1.86991
   49    48 S   HC   _H19    41     1.09339   108.71387   105.69571
   50    48 S   HC   _H20    42     1.09677   113.03546  -135.26702
   51    33 S   CT   _C11    43     1.59213   120.50511   -73.61462
   52    51 S   CT   _C5_    44     1.57720   115.65789   -33.66727
   53    52 S   HC   _H3_    45     1.09517   106.56056  -169.54675
   54    52 S   CT   _C6_    46     1.54663   111.66736   -52.54966
   55    54 S   HC   _H9_    47     1.09774   109.43487  -160.97077
   56    54 S   HC   _H10    48     1.09528   109.98556    84.29680
   57    52 S   CT   _C4_    67     1.53349   119.34422    76.57176
   58    57 S   HC   _H6_    68     1.08710   113.26221   -73.03210
   59    57 S   HC   _H7_    69     1.09738   109.42526   169.13503
   60    57 S   HC   _H8_    70     1.09183   112.58447    51.26847
   61    54 S   CT   _C7_    49     1.53159   115.05846   -38.14885
   62    61 S   HC   _H11    50     1.09690   109.03020   156.78617
   63    61 S   HC   _H12    51     1.09651   108.89805   -89.68700
   64    61 S   CT   _C8_    52     1.54070   114.48875    32.70211
   65    64 S   HC   _H4_    53     1.09700   107.83317  -176.54872
   66    51 S   CT   _C12    58     1.61804   103.17218  -149.58339
   67    66 S   CT   _C13    59     1.55641   117.39450   -69.98705
   68    67 S   HC   _H13    60     1.09530   111.30336   -66.82972
   69    67 S   HC   _H14    61     1.09771   110.19053   174.97512
   70    67 S   HC   _H15    62     1.08992   115.02822    56.34658
   71    66 S   CT   _C14    63     1.55014   115.39740   168.07365
   72    71 S   HC   _H16    64     1.09569   110.58739    61.32727
   73    71 S   HC   _H17    65     1.09109   115.14067   -60.49951
   74    71 S   HC   _H18    66     1.09703   110.67675  -179.66662
  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  12   5   4   3
  25   2   1   1  16  17   7  11   5   6   1   5   2   1   1  11
   4   3  21  15   9  12   6   5   5   2   1   1   7   4   3  10
   3   8   7   3   2   1   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    51    52    64    38    39    42    66    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    48    49    50    51    52    53    54    61    64    65    38    39    42    43    66    67    71    57    44    45    46    47  
   35    36  
   36  
    0  
   40    41    48    49    50    51    52    64    38    39    42    66    44    45    46    47  
   39    42    43    66    67    71    44    40    48    51    52    54    61    62    63    64    65  
   42    43    66    51    61    64    65  
   41    48    49    50    51    52    66    44    45    46    47  
   48    49    50    51    44  
   43    66    51    61    64    65  
   64  
   45    46    47    48    51  
   46    47  
   47  
    0  
   49    50    51    52    53    54    64    66    67    71    57  
   50    51    52    66  
   51    52    66  
   52    53    54    55    56    61    64    65    66    67    68    69    70    71    72    73    74    57    58    59    60  
   53    54    55    56    61    62    63    64    66    67    71    57    58    59    60  
   54    55    56    61    66    57    58    59    60  
   55    56    61    62    63    64    65    66    57    58    59    60  
   56    61    62    63    64    57  
   61    62    63    64    57  
   58    59    60    61    66  
   59    60  
   60  
    0  
   62    63    64    65    66    67    71  
   63    64    65    66  
   64    65    66  
   65    66    67    68    69    70    71    72    73    74  
   66    67    71  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    51   268.000  1.529
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    44   317.000  1.510
   40    41   745.000  1.250
   40    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    66   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    38   268.000  1.529
   64    66   268.000  1.529
   38    39   340.000  1.090
   38    42   320.000  1.410
   42    43   553.000  0.945
   66    67   268.000  1.529
   66    71   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    51    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    66    58.35000  112.70000
   33    38    64    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    42    50.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    48    65.00000  122.18000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   40    48    49    45.00000  110.52000
   40    48    50    45.00000  110.52000
   40    48    51    70.00000  112.02700
   48    40    41    85.00000  112.85300
   48    51    52    58.35000  112.70000
   48    51    66    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    70.00000  112.02700
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    54    58.35000  112.70000
   51    52    57    58.35000  112.70000
   51    66    64    58.35000  112.70000
   51    66    67    58.35000  112.70000
   51    66    71    58.35000  112.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    61    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    37.50000  110.70000
   54    52    53    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    38    58.35000  112.70000
   61    64    66    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    38    39    37.50000  110.70000
   64    38    42    50.00000  109.50000
   64    66    67    58.35000  112.70000
   64    66    71    58.35000  112.70000
   38    33    37    70.00000  112.02700
   38    33    51    58.35000  112.70000
   38    64    65    37.50000  110.70000
   38    42    43    55.00000  108.50000
   42    38    39    35.00000  109.50000
   66    51    52    58.35000  112.70000
   66    64    65    37.50000  110.70000
   66    64    38    58.35000  112.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    70    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    66    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   44    37    40    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.44750  1.0 1.0
   29    33    51    52  -0.17800 -1.0 2.0
   29    33    51    52   0.20200  1.0 3.0
   29    33    51    66   0.44750  1.0 1.0
   29    33    51    66  -0.17800 -1.0 2.0
   29    33    51    66   0.20200  1.0 3.0
   29    33    38    64   0.44750  1.0 1.0
   29    33    38    64  -0.17800 -1.0 2.0
   29    33    38    64   0.20200  1.0 3.0
   29    33    38    39   0.15000  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
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    48   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    47   0.34800  1.0 3.0
   33    51    52    53   0.15000  1.0 3.0
   33    51    52    54   0.56750  1.0 1.0
   33    51    52    54  -0.07550 -1.0 2.0
   33    51    52    54   0.20000  1.0 3.0
   33    51    52    57   0.56750  1.0 1.0
   33    51    52    57  -0.07550 -1.0 2.0
   33    51    52    57   0.20000  1.0 3.0
   33    51   -66    64   0.56750  1.0 1.0
   33    51   -66    64  -0.07550 -1.0 2.0
   33    51   -66    64   0.20000  1.0 3.0
   33    51    66    67   0.56750  1.0 1.0
   33    51    66    67  -0.07550 -1.0 2.0
   33    51    66    67   0.20000  1.0 3.0
   33    51    66    71   0.56750  1.0 1.0
   33    51    66    71  -0.07550 -1.0 2.0
   33    51    66    71   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   37    33   -51    48   0.34400  1.0 1.0
   37    33   -51    48   0.09450 -1.0 2.0
   37    33   -51    48   0.11100  1.0 3.0
   37    33    51    52   0.34400  1.0 1.0
   37    33    51    52   0.09450 -1.0 2.0
   37    33    51    52   0.11100  1.0 3.0
   37    33    51    66   0.34400  1.0 1.0
   37    33    51    66   0.09450 -1.0 2.0
   37    33    51    66   0.11100  1.0 3.0
   37    33    38    64   0.34400  1.0 1.0
   37    33    38    64   0.09450 -1.0 2.0
   37    33    38    64   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    42   1.05650  1.0 1.0
   37    33    38    42   0.15600 -1.0 2.0
   37    33    38    42   0.53150  1.0 3.0
   37    40    48    49   0.00000  1.0 1.0
   37    40    48    50   0.00000  1.0 1.0
   37    40   -48    51   0.09850  1.0 1.0
   37    40   -48    51   0.15250 -1.0 2.0
   37    40   -48    51  -0.50650  1.0 3.0
   40    37    44    45   0.00000  1.0 1.0
   40    37    44    46   0.00000  1.0 1.0
   40    37    44    47   0.00000  1.0 1.0
   40    48   -51    33   0.34400  1.0 1.0
   40    48   -51    33   0.09450 -1.0 2.0
   40    48   -51    33   0.11100  1.0 3.0
   40    48    51    52   0.34400  1.0 1.0
   40    48    51    52   0.09450 -1.0 2.0
   40    48    51    52   0.11100  1.0 3.0
   40    48    51    66   0.34400  1.0 1.0
   40    48    51    66   0.09450 -1.0 2.0
   40    48    51    66   0.11100  1.0 3.0
   41    40    48    49   0.00000  1.0 1.0
   41    40    48    50   0.00000  1.0 1.0
   41    40    48    51   0.09700  1.0 1.0
   41    40    48    51   0.15600 -1.0 2.0
   41    40    48    51  -0.50800  1.0 3.0
   48    51    52    53   0.15000  1.0 3.0
   48    51    52    54   0.56750  1.0 1.0
   48    51    52    54  -0.07550 -1.0 2.0
   48    51    52    54   0.20000  1.0 3.0
   48    51    52    57   0.56750  1.0 1.0
   48    51    52    57  -0.07550 -1.0 2.0
   48    51    52    57   0.20000  1.0 3.0
   48    51    66    64   0.56750  1.0 1.0
   48    51    66    64  -0.07550 -1.0 2.0
   48    51    66    64   0.20000  1.0 3.0
   48    51    66    67   0.56750  1.0 1.0
   48    51    66    67  -0.07550 -1.0 2.0
   48    51    66    67   0.20000  1.0 3.0
   48    51    66    71   0.56750  1.0 1.0
   48    51    66    71  -0.07550 -1.0 2.0
   48    51    66    71   0.20000  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    66   0.15000  1.0 3.0
   50    48    51    33   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    66   0.15000  1.0 3.0
   51    33   -37    40   0.09850  1.0 1.0
   51    33   -37    40   0.15250 -1.0 2.0
   51    33   -37    40  -0.50650  1.0 3.0
   51    33    37    44   0.46850  1.0 1.0
   51    33    37    44   0.08550 -1.0 2.0
   51    33    37    44   0.09800  1.0 3.0
   51    33   -38    64   0.56750  1.0 1.0
   51    33   -38    64  -0.07550 -1.0 2.0
   51    33   -38    64   0.20000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33    38    42   0.86500  1.0 1.0
   51    33    38    42  -0.17500 -1.0 2.0
   51    33    38    42   0.20800  1.0 3.0
   51    52    54    55   0.15000  1.0 3.0
   51    52    54    56   0.15000  1.0 3.0
   51    52    54    61   0.56750  1.0 1.0
   51    52    54    61  -0.07550 -1.0 2.0
   51    52    54    61   0.20000  1.0 3.0
   51    52    57    58   0.15000  1.0 3.0
   51    52    57    59   0.15000  1.0 3.0
   51    52    57    60   0.15000  1.0 3.0
   51    66    67    68   0.15000  1.0 3.0
   51    66    67    69   0.15000  1.0 3.0
   51    66    67    70   0.15000  1.0 3.0
   51    66    71    72   0.15000  1.0 3.0
   51    66    71    73   0.15000  1.0 3.0
   51    66    71    74   0.15000  1.0 3.0
   52    51    66    64   0.56750  1.0 1.0
   52    51    66    64  -0.07550 -1.0 2.0
   52    51    66    64   0.20000  1.0 3.0
   52    51    66    67   0.56750  1.0 1.0
   52    51    66    67  -0.07550 -1.0 2.0
   52    51    66    67   0.20000  1.0 3.0
   52    51    66    71   0.56750  1.0 1.0
   52    51    66    71  -0.07550 -1.0 2.0
   52    51    66    71   0.20000  1.0 3.0
   52    54    61    62   0.15000  1.0 3.0
   52    54    61    63   0.15000  1.0 3.0
   52    54   -61    64   0.56750  1.0 1.0
   52    54   -61    64  -0.07550 -1.0 2.0
   52    54   -61    64   0.20000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    61   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    60   0.15000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    38   0.56750  1.0 1.0
   54    61    64    38  -0.07550 -1.0 2.0
   54    61    64    38   0.20000  1.0 3.0
   54    61    64    66   0.56750  1.0 1.0
   54    61    64    66  -0.07550 -1.0 2.0
   54    61    64    66   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    38    33   0.56750  1.0 1.0
   61    64    38    33  -0.07550 -1.0 2.0
   61    64    38    33   0.20000  1.0 3.0
   61    64    38    39   0.15000  1.0 3.0
   61    64    38    42   0.86500  1.0 1.0
   61    64    38    42  -0.17500 -1.0 2.0
   61    64    38    42   0.20800  1.0 3.0
   61    64   -66    51   0.56750  1.0 1.0
   61    64   -66    51  -0.07550 -1.0 2.0
   61    64   -66    51   0.20000  1.0 3.0
   61    64    66    67   0.56750  1.0 1.0
   61    64    66    67  -0.07550 -1.0 2.0
   61    64    66    67   0.20000  1.0 3.0
   61    64    66    71   0.56750  1.0 1.0
   61    64    66    71  -0.07550 -1.0 2.0
   61    64    66    71   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    38   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    38   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   64    38    42    43  -0.11600  1.0 1.0
   64    38    42    43  -0.09450 -1.0 2.0
   64    38    42    43   0.21250  1.0 3.0
   64    66    67    68   0.15000  1.0 3.0
   64    66    67    69   0.15000  1.0 3.0
   64    66    67    70   0.15000  1.0 3.0
   64    66    71    72   0.15000  1.0 3.0
   64    66    71    73   0.15000  1.0 3.0
   64    66    71    74   0.15000  1.0 3.0
   65    64    38    33   0.15000  1.0 3.0
   65    64    38    39   0.15000  1.0 3.0
   65    64    38    42   0.23400  1.0 3.0
   65    64    66    51   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    71   0.15000  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.56750  1.0 1.0
   38    33    51    52  -0.07550 -1.0 2.0
   38    33    51    52   0.20000  1.0 3.0
   38    33   -51    66   0.56750  1.0 1.0
   38    33   -51    66  -0.07550 -1.0 2.0
   38    33   -51    66   0.20000  1.0 3.0
   38    64   -66    51   0.56750  1.0 1.0
   38    64   -66    51  -0.07550 -1.0 2.0
   38    64   -66    51   0.20000  1.0 3.0
   38    64    66    67   0.56750  1.0 1.0
   38    64    66    67  -0.07550 -1.0 2.0
   38    64    66    67   0.20000  1.0 3.0
   38    64    66    71   0.56750  1.0 1.0
   38    64    66    71  -0.07550 -1.0 2.0
   38    64    66    71   0.20000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   66    51    52    53   0.15000  1.0 3.0
   66    51   -52    54   0.56750  1.0 1.0
   66    51   -52    54  -0.07550 -1.0 2.0
   66    51   -52    54   0.20000  1.0 3.0
   66    51    52    57   0.56750  1.0 1.0
   66    51    52    57  -0.07550 -1.0 2.0
   66    51    52    57   0.20000  1.0 3.0
   66    64   -38    33   0.56750  1.0 1.0
   66    64   -38    33  -0.07550 -1.0 2.0
   66    64   -38    33   0.20000  1.0 3.0
   66    64    38    39   0.15000  1.0 3.0
   66    64    38    42   0.86500  1.0 1.0
   66    64    38    42  -0.17500 -1.0 2.0
   66    64    38    42   0.20800  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   71    66    67    68   0.15000  1.0 3.0
   71    66    67    69   0.15000  1.0 3.0
   71    66    67    70   0.15000  1.0 3.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52    54    61   0.56750  1.0 1.0
   57    52    54    61  -0.07550 -1.0 2.0
   57    52    54    61   0.20000  1.0 3.0
   44    37    40    41   7.00000 -1.0 2.0
   44    37    40    48   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    40   1.10000 -1.0 2.0
   48    41    40    37   1.10000 -1.0 2.0
END
