* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    131    206     386
    1     0 S   NP   _N1_     1    27.98420    98.62984   -21.81853
    2     1 S   H    _HN1     2     1.02958    59.85151    19.90380
    3     1 S   H    _H1_     3     1.02839    55.07946   164.94138
    4     1 S   H    _H2_     4     1.02779    96.32409   -87.64081
    5     1 S   CT   _CA1     5     1.50144   151.34383    97.07205
    6     5 S   HC   _HA1     6     1.09579   105.19154   113.54120
    7     5 S   CO3  _C1_     7     1.53760   112.28462    -6.59321
    8     7 S   O2Z  _O11     8     1.26366   114.99683   -45.49407
    9     7 S   O2Z  _O12     9     1.26229   114.91028   133.43786
   10     5 S   CT   _CB1    10     1.53081   107.40564  -128.62753
   11    10 S   HC   HB11    11     1.09833   109.24998   -50.66284
   12    10 S   HC   HB12    12     1.09815   110.47182    65.85244
   13    10 S   CT   _CG1    13     1.53055   112.72408  -171.72433
   14    13 S   HC   HG11    14     1.09590   110.54030   -65.71353
   15    13 S   HC   HG12    15     1.09661   109.88155    53.51400
   16    13 S   C    _CD1    16     1.51864   112.18658   173.81921
   17    16 S   O    _OE1    17     1.22784   123.23376     2.95645
   18    16 S   N    _N2_    18     1.38575   111.86470  -176.89840
   19    18 S   H    _HN2    19     1.01573   119.11743     3.34176
   20    18 S   CT1  _CA2    20     1.45551   122.59565   177.31751
   21    20 S   HC   _HA2    21     1.09744   108.88172    27.80596
   22    20 S   C    _C2_    22     1.53119   108.18284   -89.53407
   23    22 S   O    _O2_    23     1.22876   123.08994   -25.96224
   24    20 S   CT   _CB2    32     1.53203   112.46760   151.53251
   25    24 S   HC   HB21    33     1.09592   110.81515    46.94615
   26    24 S   HC   HB22    34     1.09217   108.98418   165.36406
   27    22 S   N    _N3_    24     1.38761   111.83069   158.18732
   28    27 S   H    _HN3    25     1.01562   119.44795    -4.34866
   29    24 S   S    _SG2    35     1.82181   112.03817   -74.72239
   30    27 S   CT   _CA3    26     1.45451   123.73644   169.47550
   31    30 S   HC   HA31    27     1.09468   109.84394    13.13938
   32    30 S   HC   HA32    28     1.09479   107.22539   130.76048
   33    29 S   CT   _C8_    36     1.85302    99.47336  -172.66238
   34    33 S   HC   _H4_    37     1.09583   107.48492   -48.67282
   35    30 S   CO3  _C3_    29     1.53147   111.88208  -110.20253
   36    35 S   O2Z  _O31    30     1.26509   115.25319   -48.49790
   37    35 S   O2Z  _O32    31     1.26274   115.25908   131.59229
   38    33 S   CM   _C9_    38     1.53058   109.57397    70.65636
   39    38 S   CT   _C4_    39     1.51530   113.78271    78.36579
   40    39 S   HC   _H6_    40     1.09260   113.01013  -179.17291
   41    39 S   HC   _H7_    41     1.09765   108.91256   -62.31248
   42    38 S   CM   _C10    53     1.34755   119.69799  -103.54981
   43    42 S   HC   _H9_    54     1.08636   118.56196     0.52077
   44    39 S   CT1  _C5_    42     1.52983   109.58491    59.03275
   45    44 S   HC   _H3_    43     1.09854   108.77290    67.46065
   46    42 S   CG   _C11    55     1.47741   124.64464   178.17437
   47    46 S   HC   _H10    56     1.09858   118.23166     4.16391
   48    44 S   NE   _N4_    44     1.45330   110.36816   -51.14196
   49    48 S   H    _H8_    45     1.01817   117.94491  -164.45382
   50    44 S   CO3  _C18    50     1.53955   114.41823  -173.16144
   51    50 S   O2Z  _O38    51     1.26390   116.42066     0.22381
   52    50 S   O2Z  _O37    52     1.26667   114.90023  -178.03985
   53    46 S   NIP  _N5_    57     1.27496   125.65061  -174.94646
   54    33 S   CM   _C6_    46     1.51633   108.45376  -166.52392
   55    53 S   CM   _C12    58     1.38052   131.02951    -0.01978
   56    55 S   HC   _H11    59     1.07840   125.28788    -0.87871
   57    54 S   CMA  _C7_    47     1.53944   121.12552    79.07542
   58    57 S   OM   _O33    48     1.26459   120.67568  -163.56446
   59    57 S   OM   _O34    49     1.26391   121.52252    17.20586
   60    55 S   CM   _C13    60     1.34975   107.39131   179.18171
   61    60 S   NI   _N6_    61     1.40241   114.49760    -0.61230
   62    60 S   CT   _C15    64     1.49899   125.81093  -179.61033
   63    62 S   HC   _H13    65     1.09835   109.79515     9.14632
   64    62 S   HC   _H14    66     1.09829   108.01521   124.30274
   65    53 S   CDX  _C14    62     1.55101   126.03792   178.16346
   66    65 S   HC   _H12    63     1.09902   124.49502     0.83953
   67    62 S   CT1  _C16    67     1.53267   112.58116  -114.20357
   68    67 S   HC   _H5_    68     1.09750   109.66788   -56.75407
   69    67 S   CO3  _C17    69     1.54671   115.65801    66.03527
   70    69 S   O2Z  _O36    70     1.26314   116.53108    17.02689
   71    69 S   O2Z  _O35    71     1.26672   114.39790  -162.43595
   72    67 S   NT   _N7_    72     1.47094   109.36980  -175.44078
   73    72 S   H    _H15    73     1.02055   108.95223   175.94194
   74    72 S   H    _H16    74     1.01906   109.44613    60.19616
  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
  15   6   2   1   1  14  13   6   5   8   3   8   6   8   3   8
   3   3   1   1   7   3   9   4   2   1   1  10   6  11   5   4
   1   1   7   6   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    57    58    59    42    43    46  
   38    39    48    54    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    57    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    55    65    44    54  
   46    47    53  
   45    48    49    54    57    50    51    52  
   48    49    54    50    51    52  
   47    53    55    56    60    61    65    66  
   53    55    65  
   49    54    57    58    59    50    51    52  
   54    57    50  
   51    52    54  
   52  
    0  
   55    56    60    61    65    66    62  
   57    58    59  
   56    60    61    65    66    62    63    64    67  
   60    61    65    62  
   58    59  
   59  
    0  
   61    65    66    62    63    64    67    68    69    72  
   65    66    62    63    64    67  
   63    64    67    68    69    70    71    72    73    74    65  
   64    67    68    69    72  
   67    68    69    72  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72  
   72  
   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   0.107500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.700000   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   3.2500   0.1700   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   61   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.423400   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   73   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   382.000  1.448
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   425.000  1.378
   54    57   465.000  1.376
   57    58   745.000  1.250
   57    59   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    55   335.000  1.413
   53    65   335.000  1.413
   55    56   340.000  1.080
   55    60   549.000  1.340
   60    61   405.000  1.380
   60    62   317.000  1.510
   61    65   650.000  1.285
   65    66   370.000  1.091
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   317.000  1.522
   67    72   305.000  1.457
   69    70   656.000  1.250
   69    71   656.000  1.250
   72    73   434.000  1.010
   72    74   434.000  1.010
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  112.20000
   29    33    54    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    75.00000  116.24600
   33    54    57    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.61500
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  112.50000
   44    48    54    50.00000  121.00000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    54    57    70.00000  124.03900
   54    33    34    35.00000  109.50000
   54    33    38    70.00000  110.12100
   54    48    49    35.00000  114.50000
   54    57    58    65.00000  137.10300
   54    57    59    65.00000  137.10300
   59    57    58    65.00000  121.00000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  110.10000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    55    70.00000  118.46000
   46    53    65    70.00000  118.46000
   53    46    47    45.00000  118.03900
   53    55    56    45.00000  112.60000
   53    55    60    70.00000  113.56000
   53    65    61    75.00000  124.00000
   53    65    66    45.00000  112.60000
   55    60    61    70.00000  120.83400
   55    60    62    70.00000  124.00000
   60    55    56    35.00000  120.00000
   60    61    65    70.00000  116.49400
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    67    70.00000  112.02700
   61    65    66    45.00000  121.92500
   65    53    55    70.00000  121.00000
   62    60    61    65.00000  119.96000
   62    67    68    37.50000  110.70000
   62    67    69    63.00000  111.10000
   62    67    72    80.00000  111.22000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    69    70    70.00000  117.00000
   67    69    71    70.00000  117.00000
   67    72    73    50.00000  111.55300
   67    72    74    50.00000  111.55300
   69    67    68    35.00000  109.50000
   71    69    70    80.00000  126.00000
   72    67    68    50.00000  109.55000
   72    67    69    75.00000  111.54000
   74    72    73    43.60000  106.40000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   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    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.09700  1.0 1.0
   29    33    54    48   0.15600 -1.0 2.0
   29    33    54    48  -0.50800  1.0 3.0
   29    33    54    57   0.42700  1.0 1.0
   29    33    54    57  -0.70350 -1.0 2.0
   29    33    54    57  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    57    58   7.00000 -1.0 2.0
   33    54    57    59   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48  -0.18050  1.0 3.0
   34    33    54    57   0.00000  1.0 1.0
   38    33    54    48  -1.35150  1.0 1.0
   38    33    54    48   0.13900 -1.0 2.0
   38    33    54    48   0.25250  1.0 3.0
   38    33    54    57  -0.28300  1.0 1.0
   38    33    54    57   0.26700 -1.0 2.0
   38    33    54    57  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.21700  1.0 1.0
   38    39   -44    48   0.68550 -1.0 2.0
   38    39   -44    48  -0.27950  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    54   0.25450  1.0 1.0
   39    44    48    54  -0.61700 -1.0 2.0
   39    44    48    54  -0.23550  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.22950  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.22950  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   1.00000 -1.0 2.0
   44    48    54    57  -0.54700  1.0 1.0
   44    48    54    57   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    54   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    54    57    58   7.00000 -1.0 2.0
   48    54    57    59   7.00000 -1.0 2.0
   49    48    54    33   2.40850 -1.0 2.0
   49    48    54    57   1.00000 -1.0 2.0
   54    33   -38    39   0.09700  1.0 1.0
   54    33   -38    39   0.15600 -1.0 2.0
   54    33   -38    39  -0.50800  1.0 3.0
   54    33    38    42  -0.28300  1.0 1.0
   54    33    38    42   0.26700 -1.0 2.0
   54    33    38    42  -0.63300  1.0 3.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    54  -0.12500  1.0 1.0
   50    44    48    54  -0.12500 -1.0 2.0
   50    44    48    54   0.25000  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    55   2.00000 -1.0 2.0
   42    46    53    65   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    55    56   5.00000 -1.0 2.0
   46    53    55    60   5.00000 -1.0 2.0
   46    53    65    61   5.00000 -1.0 2.0
   46    53    65    66   5.00000 -1.0 2.0
   47    46    53    55   2.00000 -1.0 2.0
   47    46    53    65   2.00000 -1.0 2.0
   53    55   -60    61   7.00000 -1.0 2.0
   53    55    60    62   7.00000 -1.0 2.0
   55    53   -65    61   5.00000 -1.0 2.0
   55    53    65    66   5.00000 -1.0 2.0
   55    60   -61    65   1.00000 -1.0 2.0
   55    60    62    63   0.00000  1.0 1.0
   55    60    62    64   0.00000  1.0 1.0
   55    60    62    67   0.09850  1.0 1.0
   55    60    62    67   0.15250 -1.0 2.0
   55    60    62    67  -0.50650  1.0 3.0
   56    55    60    61   7.00000 -1.0 2.0
   56    55    60    62   7.00000 -1.0 2.0
   60    61   -65    53   6.00000 -1.0 2.0
   60    61    65    66   4.00000 -1.0 2.0
   60    62    67    68   0.15000  1.0 3.0
   60    62    67    69  -0.98800  1.0 1.0
   60    62    67    69   0.48800 -1.0 2.0
   60    62    67    69   0.76800  1.0 3.0
   60    62    67    72   0.59950  1.0 1.0
   60    62    67    72  -0.21400 -1.0 2.0
   60    62    67    72   0.56200  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    67   0.09700  1.0 1.0
   61    60    62    67   0.15600 -1.0 2.0
   61    60    62    67  -0.50800  1.0 3.0
   65    53    55    56   5.00000 -1.0 2.0
   65    53   -55    60   5.00000 -1.0 2.0
   62    60    61    65   1.00000 -1.0 2.0
   62    67    69    70   0.00000  1.0 1.0
   62    67    69    71   0.00000  1.0 1.0
   62    67    72    73  -0.05950  1.0 1.0
   62    67    72    73   0.08850 -1.0 2.0
   62    67    72    73   0.11750  1.0 3.0
   62    67    72    74  -0.05950  1.0 1.0
   62    67    72    74   0.08850 -1.0 2.0
   62    67    72    74   0.11750  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69  -0.03800  1.0 3.0
   63    62    67    72   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69  -0.03800  1.0 3.0
   64    62    67    72   0.15000  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    72    73   0.20000  1.0 3.0
   68    67    72    74   0.20000  1.0 3.0
   69    67    72    73   0.21900  1.0 1.0
   69    67    72    73  -0.24900 -1.0 2.0
   69    67    72    73   0.15200  1.0 3.0
   69    67    72    74   0.21900  1.0 1.0
   69    67    72    74  -0.24900 -1.0 2.0
   69    67    72    74   0.15200  1.0 3.0
   72    67    69    70   0.30150 -1.0 2.0
   72    67    69    71   0.30150 -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
   33    39    38    42   1.10000 -1.0 2.0
   49    54    48    44   1.00000 -1.0 2.0
   33    48    54    57   1.10000 -1.0 2.0
   58    59    57    54   1.10000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   55    65    53    46   1.00000 -1.0 2.0
   53    56    55    60   1.10000 -1.0 2.0
   62    61    60    55   1.10000 -1.0 2.0
   53    66    65    61  10.50000 -1.0 2.0
   70    67    69    71  10.50000 -1.0 2.0
END
