* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    129    206     382
    1     0 S   NP   _N1_     1    28.70730    95.80509   -22.01467
    2     1 S   H    _HN1     2     1.02776    94.46449   -71.85990
    3     1 S   H    _H1_     3     1.02956    79.00013    36.03050
    4     1 S   H    _H2_     4     1.02828    37.41701   174.18385
    5     1 S   CT   _CA1     5     1.50165   145.68063   146.08860
    6     5 S   HC   _HA1     6     1.09578   105.13405    76.91161
    7     5 S   CO3  _C1_     7     1.53774   112.50313   -43.05075
    8     7 S   O2Z  _O11     8     1.26358   115.00886   -38.94291
    9     7 S   O2Z  _O12     9     1.26251   114.98058   140.05347
   10     5 S   CT   _CB1    10     1.53097   107.36489  -165.24333
   11    10 S   HC   HB11    11     1.09817   109.17696   -50.08289
   12    10 S   HC   HB12    12     1.09816   110.47054    66.47924
   13    10 S   CT   _CG1    13     1.52953   112.71429  -171.21967
   14    13 S   HC   HG11    14     1.09505   110.36009   -66.79858
   15    13 S   HC   HG12    15     1.09669   109.98192    52.30500
   16    13 S   C    _CD1    16     1.51835   112.49520   172.39437
   17    16 S   O    _OE1    17     1.22714   123.33305    -3.64980
   18    16 S   N    _N2_    18     1.38607   111.54594   177.19014
   19    18 S   H    _HN2    19     1.01595   118.89775    -0.09891
   20    18 S   CT1  _CA2    20     1.46306   123.57138   177.45378
   21    20 S   HC   _HA2    21     1.09735   109.45450    -7.43495
   22    20 S   C    _C2_    22     1.53451   108.12513  -122.80526
   23    22 S   O    _O2_    23     1.23020   122.48327  -147.35299
   24    20 S   CT   _CB2    32     1.53335   111.31028   114.93317
   25    24 S   HC   HB21    33     1.09353   109.28716    53.80810
   26    24 S   HC   HB22    34     1.09437   110.49411   172.32384
   27    22 S   N    _N3_    24     1.38402   113.43914    40.13375
   28    27 S   H    _HN3    25     1.01633   119.47548    -3.63130
   29    24 S   S    _SG2    35     1.82893   110.91833   -68.54656
   30    27 S   CT   _CA3    26     1.45279   123.15194   177.01200
   31    30 S   HC   HA31    27     1.09551   107.53300   -63.72765
   32    30 S   HC   HA32    28     1.09557   107.94364    52.68528
   33    29 S   CT   _C15    36     1.86290   101.79006   154.26966
   34    30 S   CO3  _C3_    29     1.52938   114.12054   174.65856
   35    34 S   O2Z  _O31    30     1.26368   116.05640    -0.82567
   36    34 S   O2Z  _O32    31     1.26430   114.41193   179.22722
   37    33 S   CO4  _C14    37     1.52505   107.72724   -64.78908
   38    37 S   O    _O34    38     1.22772   123.94507   104.27976
   39    33 S   CM   _C6_    50     1.52608   107.65932   178.51299
   40    37 S   CA   _C9_    39     1.47139   116.32064   -72.69152
   41    39 S   CT   _C5_    51     1.53457   114.13105   -94.14907
   42    41 S   HC   _H3_    52     1.09698   108.65345   137.37316
   43    40 S   CA   _C10    40     1.40314   118.46399   150.06001
   44    43 S   HA   _H8_    41     1.08673   121.09176     2.57451
   45    41 S   OS   _O35    53     1.43230   110.68436    24.00962
   46    41 S   CT   _C4_    65     1.53168   114.16851  -102.82794
   47    46 S   HC   _H5_    66     1.09441   112.19939    53.42537
   48    46 S   HC   _H6_    67     1.09419   111.56335   -67.09422
   49    46 S   HC   _H7_    68     1.09546   110.29387   172.59649
   50    43 S   CA   _C11    42     1.38885   119.78464  -175.93813
   51    50 S   HA   _H9_    43     1.08601   120.30458   179.23026
   52    45 S   CT   _C17    54     1.42868   115.02727   -65.99868
   53    52 S   HC   _H4_    55     1.09675   108.67406   -74.24916
   54    50 S   CA   _C12    44     1.38899   119.54564     0.29208
   55    54 S   HA   _H10    45     1.08704   119.59723   179.06288
   56    33 S   CT   _C16    56     1.54131   112.51491    56.10451
   57    56 S   HC   _H12    57     1.09690   112.30768   -57.59662
   58    56 S   HC   _H13    58     1.10102   107.72334  -170.44897
   59    52 S   CT   _C18    59     1.53066   107.67907   168.39659
   60    59 S   HC   _H14    60     1.09631   109.95920   -49.60723
   61    59 S   HC   _H15    61     1.09699   109.90158  -168.31307
   62    54 S   CA   _C13    46     1.40004   120.11327    -1.08155
   63    59 S   CO3  _C19    62     1.53458   115.76241    71.72490
   64    63 S   O2Z  _O37    63     1.26122   116.86860    14.12547
   65    63 S   O2Z  _O36    64     1.26585   114.01731  -166.81413
   66    40 S   CA   _C8_    47     1.40417   118.80914   -27.17494
   67    62 S   OH   _O33    69     1.37343   114.84925  -179.95154
   68    67 S   HO   _H11    70     0.97554   107.27167   175.74481
   69    66 S   CMA  _C7_    48     1.52317   120.70273    -7.11728
   70    69 S   OM   _O38    49     1.26876   118.99549  -158.61677
  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  11   5   4   3
  18   2   1   1  14   5  16  11  13   7   8   4  14   5   2   1
   1   6   3  10   7   6   3   7   2   1   5   4   3   5   2   1
   1   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    56    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    69    39    41    52    56    57    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    66    69    70    39    41    42    45    52    53    56    57    58    59    46  
   35    36  
   36  
    0  
   38    40    43    44    50    62    66    69    39    41    52    56    57    58  
   40    43    66    39    56  
   41    42    45    52    56    57    58    46    47    48    49    40    62    66    69    70  
   43    44    50    51    54    62    66    69    70    56    67  
   42    45    52    53    56    59    46    47    48    49    66    69    70  
   45    52    46    47    48    49    69  
   44    50    51    54    55    62    66    69  
   50    51    54    66  
   52    53    56    57    58    59    60    61    63    46    47    48    49    69  
   47    48    49    52    69  
   48    49  
   49  
    0  
   51    54    55    62    66    67  
   54    55    62  
   53    56    57    58    59    60    61    63    64    65  
   56    57    58    59    60    61    63  
   55    62    66    69    67    68  
   62    66    67  
   57    58    59    60    61    63    69  
   58    59  
   59  
   60    61    63    64    65  
   61    63    64    65  
   63    64    65  
   66    69    70    67    68  
   64    65  
   65  
    0  
   69    70    67    68  
   68    69  
    0  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
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  1.522
   33    39   317.000  1.510
   33    56   268.000  1.529
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    66   469.000  1.400
   43    44   367.000  1.080
   43    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    62   469.000  1.400
   62    66   469.000  1.400
   62    67   450.000  1.364
   66    69   320.000  1.460
   69    70   745.000  1.250
   69    39   465.000  1.376
   39    41   317.000  1.510
   41    42   340.000  1.090
   41    45   320.000  1.410
   41    46   268.000  1.529
   45    52   320.000  1.410
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   317.000  1.522
   63    64   656.000  1.250
   63    65   656.000  1.250
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   67    68   553.000  0.945
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  110.18000
   29    33    39    75.00000  112.20000
   29    33    56    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    39    69    70.00000  124.00000
   33    39    41    65.00000  117.92700
   33    56    52    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   37    40    43    60.00000  119.52600
   37    40    66    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    44    35.00000  120.00000
   40    43    50    63.00000  120.00000
   40    66    62    63.00000  120.00000
   40    66    69    60.00000  120.93500
   43    50    51    35.00000  120.00000
   43    50    54    63.00000  120.00000
   50    43    44    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    62    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    62    66    63.00000  120.00000
   54    62    67    70.00000  120.00000
   62    54    55    35.00000  120.00000
   62    66    69    60.00000  120.93500
   62    67    68    35.00000  113.00000
   66    40    43    63.00000  120.00000
   66    69    70    85.00000  114.86500
   66    69    39    60.00000  123.20500
   69    39    41    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    69    70    65.00000  137.10300
   39    41    42    35.00000  109.50000
   39    41    45    85.00000  110.90400
   39    41    46    70.00000  112.02700
   41    45    52    60.00000  109.50000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   45    41    42    35.00000  109.50000
   45    52    53    35.00000  109.50000
   45    52    56    50.00000  109.50000
   45    52    59    50.00000  109.50000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    63    70.00000  109.69300
   56    33    37    63.00000  111.10000
   56    33    39    70.00000  112.02700
   56    52    53    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    56    58.35000  112.70000
   59    63    64    70.00000  117.00000
   59    63    65    70.00000  117.00000
   61    59    60    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    35.00000  109.50000
   65    63    64    80.00000  126.00000
   46    41    42    37.50000  110.70000
   46    41    45    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   67    62    66    70.00000  120.00000
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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    39    69   0.42700  1.0 1.0
   29    33    39    69  -0.70350 -1.0 2.0
   29    33    39    69  -0.43150  1.0 3.0
   29    33    39    41   0.30250  1.0 1.0
   29    33    39    41  -0.14950 -1.0 2.0
   29    33    39    41   0.36900  1.0 3.0
   29    33    56    52   0.44750  1.0 1.0
   29    33    56    52  -0.17800 -1.0 2.0
   29    33    56    52   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    66   2.26350  1.0 1.0
   33    37    40    66   0.76750 -1.0 2.0
   33    37    40    66   0.22500  1.0 3.0
   33    39    41    42   0.34800  1.0 3.0
   33    39    41    45   0.09700  1.0 1.0
   33    39    41    45   0.15600 -1.0 2.0
   33    39    41    45  -0.50800  1.0 3.0
   33    39    41    46   0.46850  1.0 1.0
   33    39    41    46   0.08550 -1.0 2.0
   33    39    41    46   0.09800  1.0 3.0
   37    33    39    69  -0.51250  1.0 1.0
   37    33    39    69  -0.88800 -1.0 2.0
   37    33    39    69   0.08850  1.0 3.0
   37    33    39    41   0.17250  1.0 1.0
   37    33    39    41  -0.04100 -1.0 2.0
   37    33    39    41  -0.33850  1.0 3.0
   37    33    56    52  -0.95700  1.0 1.0
   37    33    56    52  -0.18200 -1.0 2.0
   37    33    56    52   0.29450  1.0 3.0
   37    33    56    57  -0.11250  1.0 3.0
   37    33    56    58  -0.11250  1.0 3.0
   37    40    43    44   3.62500 -1.0 2.0
   37    40    43    50   3.62500 -1.0 2.0
   37    40    66    62   3.62500 -1.0 2.0
   37    40   -66    69   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    66   1.05000 -1.0 2.0
   40    43    50    51   3.62500 -1.0 2.0
   40    43    50    54   3.62500 -1.0 2.0
   40    66    69    70  -0.01750  1.0 1.0
   40    66    69    70  -0.32000 -1.0 2.0
   40    66    69    70   0.00600  1.0 3.0
   40    66    69    39   0.15800  1.0 1.0
   40    66    69    39   1.85350 -1.0 2.0
   40    66    69    39  -0.48700  1.0 3.0
   43    40    66    62   3.62500 -1.0 2.0
   43    40    66    69   3.62500 -1.0 2.0
   43    50    54    55   3.62500 -1.0 2.0
   43    50   -54    62   3.62500 -1.0 2.0
   44    43    50    51   3.62500 -1.0 2.0
   44    43    50    54   3.62500 -1.0 2.0
   50    54    62    66   3.62500 -1.0 2.0
   50    54    62    67   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    62   3.62500 -1.0 2.0
   54    62   -66    40   3.62500 -1.0 2.0
   54    62    66    69   3.62500 -1.0 2.0
   54    62    67    68   0.84100 -1.0 2.0
   55    54    62    66   3.62500 -1.0 2.0
   55    54    62    67   3.62500 -1.0 2.0
   62    66    69    70  -0.01750  1.0 1.0
   62    66    69    70  -0.32000 -1.0 2.0
   62    66    69    70   0.00600  1.0 3.0
   62    66    69    39   0.15800  1.0 1.0
   62    66    69    39   1.85350 -1.0 2.0
   62    66    69    39  -0.48700  1.0 3.0
   66    40    43    44   3.62500 -1.0 2.0
   66    40   -43    50   3.62500 -1.0 2.0
   66    62    67    68   0.84100 -1.0 2.0
   66    69   -39    33   7.00000 -1.0 2.0
   66    69    39    41   7.00000 -1.0 2.0
   69    39    41    42   0.00000  1.0 1.0
   69    39    41    45   0.39000  1.0 1.0
   69    39    41    45  -0.05800 -1.0 2.0
   69    39    41    45  -0.55150  1.0 3.0
   69    39    41    46   0.09850  1.0 1.0
   69    39    41    46   0.15250 -1.0 2.0
   69    39    41    46  -0.50650  1.0 3.0
   70    69    39    33   7.00000 -1.0 2.0
   70    69    39    41   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    40   0.65300  1.0 1.0
   39    33   -37    40  -0.03850 -1.0 2.0
   39    33   -37    40   0.33900  1.0 3.0
   39    33    56    52   0.34400  1.0 1.0
   39    33    56    52   0.09450 -1.0 2.0
   39    33    56    52   0.11100  1.0 3.0
   39    33    56    57   0.15000  1.0 3.0
   39    33    56    58   0.15000  1.0 3.0
   39    41   -45    52  -0.77900  1.0 1.0
   39    41   -45    52  -0.36900 -1.0 2.0
   39    41   -45    52   0.40400  1.0 3.0
   39    41    46    47   0.15000  1.0 3.0
   39    41    46    48   0.15000  1.0 3.0
   39    41    46    49   0.15000  1.0 3.0
   41    45    52    53   0.37050  1.0 3.0
   41    45    52    56   0.06250  1.0 1.0
   41    45    52    56  -0.01100 -1.0 2.0
   41    45    52    56   0.28050  1.0 3.0
   41    45    52    59   0.06250  1.0 1.0
   41    45    52    59  -0.01100 -1.0 2.0
   41    45    52    59   0.28050  1.0 3.0
   42    41    45    52   0.37050  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   45    41    46    47   0.23400  1.0 3.0
   45    41    46    48   0.23400  1.0 3.0
   45    41    46    49   0.23400  1.0 3.0
   45    52   -56    33   0.62750  1.0 1.0
   45    52   -56    33  -0.30950 -1.0 2.0
   45    52   -56    33   0.27300  1.0 3.0
   45    52    56    57   0.23400  1.0 3.0
   45    52    56    58   0.23400  1.0 3.0
   45    52    59    60   0.23400  1.0 3.0
   45    52    59    61   0.23400  1.0 3.0
   45    52    59    63  -3.35100  1.0 1.0
   45    52    59    63  -0.37050 -1.0 2.0
   45    52    59    63   0.22400  1.0 3.0
   52    59    63    64   0.41150 -1.0 2.0
   52    59    63    65   0.41150 -1.0 2.0
   53    52    56    33   0.15000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    63  -0.11250  1.0 3.0
   56    33    37    38   0.30150 -1.0 2.0
   56    33    37    40   0.05850 -1.0 2.0
   56    33    37    40   0.17250  1.0 3.0
   56    33    39    69   0.09850  1.0 1.0
   56    33    39    69   0.15250 -1.0 2.0
   56    33    39    69  -0.50650  1.0 3.0
   56    33   -39    41   0.46850  1.0 1.0
   56    33   -39    41   0.08550 -1.0 2.0
   56    33   -39    41   0.09800  1.0 3.0
   56    52    59    60   0.15000  1.0 3.0
   56    52    59    61   0.15000  1.0 3.0
   56    52    59    63  -1.63150  1.0 1.0
   56    52    59    63  -0.43550 -1.0 2.0
   56    52    59    63   0.24500  1.0 3.0
   59    52    56    33   0.56750  1.0 1.0
   59    52    56    33  -0.07550 -1.0 2.0
   59    52    56    33   0.20000  1.0 3.0
   59    52    56    57   0.15000  1.0 3.0
   59    52    56    58   0.15000  1.0 3.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   61    59    63    64   0.00000  1.0 1.0
   61    59    63    65   0.00000  1.0 1.0
   46    41    45    52   0.06250  1.0 1.0
   46    41    45    52  -0.01100 -1.0 2.0
   46    41    45    52   0.28050  1.0 3.0
   67    62    66    40   3.62500 -1.0 2.0
   67    62    66    69   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   43    66    40    37   4.00000 -1.0 2.0
   50    44    43    40   1.10000 -1.0 2.0
   54    51    50    43   1.10000 -1.0 2.0
   62    55    54    50   1.10000 -1.0 2.0
   66    67    62    54   4.00000 -1.0 2.0
   62    69    66    40   4.00000 -1.0 2.0
   66    70    69    39   1.10000 -1.0 2.0
   33    41    39    69   1.10000 -1.0 2.0
   64    59    63    65  10.50000 -1.0 2.0
END
