* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    130    220     386
    1     0 S   NP   _N1_     1    29.40689    93.27500   -18.38386
    2     1 S   H    _HN1     2     1.02779    77.27733   -53.64786
    3     1 S   H    _H1_     3     1.02949   116.88641    50.64059
    4     1 S   H    _H2_     4     1.02836    30.63105   128.50550
    5     1 S   CT   _CA1     5     1.50136   125.51705  -162.04062
    6     5 S   HC   _HA1     6     1.09560   105.31030    28.88702
    7     5 S   CO3  _C1_     7     1.53831   112.32401   -91.47895
    8     7 S   O2Z  _O11     8     1.26354   115.05931   -42.97788
    9     7 S   O2Z  _O12     9     1.26232   114.97635   136.35685
   10     5 S   CT   _CB1    10     1.53032   107.34018   146.92252
   11    10 S   HC   HB11    11     1.09815   109.47274   -49.17304
   12    10 S   HC   HB12    12     1.09804   110.30632    67.21930
   13    10 S   CT   _CG1    13     1.53106   112.88587  -170.49043
   14    13 S   HC   HG11    14     1.09465   110.32070   -56.33978
   15    13 S   HC   HG12    15     1.09568   110.56302    62.72866
   16    13 S   C    _CD1    16     1.51734   110.65053  -177.89699
   17    16 S   O    _OE1    17     1.22841   122.30682   -39.58488
   18    16 S   N    _N2_    18     1.38453   112.67062   140.76403
   19    18 S   H    _HN2    19     1.01572   119.41361     2.69188
   20    18 S   CT1  _CA2    20     1.46214   123.17834  -174.74204
   21    20 S   HC   _HA2    21     1.09726   109.37022   -16.83663
   22    20 S   C    _C2_    22     1.53336   108.40681  -132.82128
   23    22 S   O    _O2_    23     1.23013   122.26590  -145.61457
   24    20 S   CT   _CB2    32     1.53655   111.27075   105.14122
   25    24 S   HC   HB21    33     1.09375   109.29905    58.19021
   26    24 S   HC   HB22    34     1.09485   109.93030   176.28807
   27    22 S   N    _N3_    24     1.38509   113.31820    41.73007
   28    27 S   H    _HN3    25     1.01535   118.91821    -0.49496
   29    24 S   S    _SG2    35     1.83114   111.55747   -64.77462
   30    27 S   CT   _CA3    26     1.45430   123.32780   175.13788
   31    30 S   HC   HA31    27     1.09533   109.08640    27.16010
   32    30 S   HC   HA32    28     1.09491   107.15985   144.14469
   33    29 S   CT   _C24    36     1.88856   102.52259   148.76807
   34    30 S   CO3  _C3_    29     1.52932   113.22549   -96.20607
   35    34 S   O2Z  _O31    30     1.26393   115.46044   -43.28035
   36    34 S   O2Z  _O32    31     1.26364   114.94421   137.66724
   37    33 S   CA   _C20    37     1.53839   113.28867   -55.53062
   38    33 S   CA   _C21    48     1.53069   106.08096    73.71169
   39    33 S   CT   _C23    60     1.59278   111.26331  -177.44419
   40    39 S   HC   _H38    61     1.10382   108.35584   158.91419
   41    37 S   CA   _C15    38     1.40877   121.24273   -38.98495
   42    41 S   HA   _H35    39     1.08665   120.92212     0.76361
   43    38 S   CA   _C17    49     1.39207   128.76589   -75.96818
   44    43 S   HA   _H37    50     1.08531   121.33794    -3.52070
   45    39 S   CA   _C19    62     1.51654   119.13377    37.26665
   46    41 S   CA   _C9_    40     1.39754   121.58895  -178.36028
   47    46 S   HA   _H29    41     1.08656   119.89062  -179.67135
   48    43 S   CA   _C11    51     1.39982   119.31222   176.36444
   49    48 S   HA   _H31    52     1.08707   119.63517   179.98022
   50    45 S   CA   _C13    63     1.40444   119.35371    92.78704
   51    50 S   HA   _H33    64     1.08778   120.42363     0.54465
   52    46 S   CA   _C5_    42     1.38963   120.09607     1.04530
   53    52 S   HA   _H25    43     1.08584   120.15745   179.73756
   54    48 S   CA   _C6_    53     1.40252   120.78727    -0.33043
   55    54 S   HA   _H26    54     1.08665   119.70077  -179.88131
   56    50 S   CA   _C7_    65     1.39641   120.97759  -179.47029
   57    56 S   HA   _H27    66     1.08632   119.78253   179.96044
   58    52 S   CA   _C10    44     1.39039   119.60374     0.70360
   59    58 S   HA   _H30    45     1.08647   119.92957   178.72114
   60    54 S   CA   _C12    55     1.39287   120.38076     0.34605
   61    60 S   HA   _H32    56     1.08435   120.83278   179.38452
   62    56 S   CA   _C4_    67     1.39176   120.07536     0.02798
   63    62 S   HA   _H24    68     1.08579   120.15140  -179.95577
   64    37 S   CA   _C16    46     1.40755   121.60907   145.55943
   65    64 S   HA   _H36    47     1.08674   121.20586    -0.78084
   66    38 S   CA   _C18    57     1.39422   112.67732   100.54015
   67    62 S   CA   _C8_    69     1.39234   119.77216    -0.17583
   68    67 S   HA   _H28    70     1.08633   119.99499  -179.89721
   69    66 S   CO4  _C22    58     1.45328   109.02651     4.98932
   70    69 S   O    _O22    59     1.21794   123.48574  -175.02740
   71    45 S   CA   _C14    71     1.40370   122.49744   -86.91582
   72    71 S   HA   _H34    72     1.08738   120.70343    -0.34092
  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
  20   2   1   1  16  15  15   6   8   4   8   4  12   6   3   6
   3   9   4   5   3   5   3   6   3   3   2   4   2   5   3   1
   1   2   3   2   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    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    64    38    43    66    69    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    46    58    64    65    38    43    44    48    60    66    69    70    39    40    45    50    71  
   35    36  
   36  
    0  
   41    42    46    47    52    58    59    64    65    38    43    66    69    39    40    45  
   43    44    48    49    54    60    61    66    69    70    39    40    45    41    64  
   40    45    50    51    56    67    71    72    41    43    60    64    66    69    70  
   45    50    71    66    69    70  
   42    46    47    52    53    58    64    65  
   46    47    52    64  
   44    48    49    54    55    60    66    69  
   48    49    54    66  
   50    51    56    57    62    67    68    71    72    66    69    70  
   47    52    53    58    59    64  
   52    53    58  
   49    54    55    60    61    66  
   54    55    60  
   51    56    57    62    63    67    71    72    69  
   56    57    62    71  
   53    58    59    64    65  
   58    59    64  
   55    60    61    66    69  
   60    61    66  
   57    62    63    67    68    71  
   62    63    67  
   59    64    65  
   64    65  
   61    66    69    70  
   66    69  
   63    67    68    71    72  
   67    68    71  
   65  
    0  
   69    70  
   68    71    72  
   71    72  
   70    71  
    0  
   72  
    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   0.397500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    38   317.000  1.510
   33    39   268.000  1.529
   37    41   469.000  1.400
   37    64   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    52   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   367.000  1.080
   38    43   469.000  1.400
   38    66   469.000  1.400
   43    44   367.000  1.080
   43    48   469.000  1.400
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    69   310.000  1.470
   69    70   570.000  1.229
   69    39   317.000  1.522
   39    40   340.000  1.090
   39    45   317.000  1.510
   45    50   469.000  1.400
   45    71   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
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    80.00000  109.48900
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    37    41    70.00000  120.00000
   33    37    64    70.00000  120.00000
   33    38    43    70.00000  120.00000
   33    38    66    70.00000  120.00000
   33    39    69    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    70.00000  112.17500
   37    41    42    35.00000  120.00000
   37    41    46    63.00000  120.00000
   37    64    58    63.00000  120.00000
   37    64    65    35.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    52    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    52    53    35.00000  120.00000
   46    52    58    63.00000  120.00000
   52    46    47    35.00000  120.00000
   52    58    59    35.00000  120.00000
   52    58    64    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    64    65    35.00000  120.00000
   64    37    41    63.00000  120.00000
   64    58    59    35.00000  120.00000
   38    33    37    70.00000  112.04700
   38    43    44    35.00000  120.00000
   38    43    48    63.00000  120.00000
   38    66    60    63.00000  120.00000
   38    66    69    60.00000  119.52600
   43    48    49    35.00000  120.00000
   43    48    54    63.00000  120.00000
   48    43    44    35.00000  120.00000
   48    54    55    35.00000  120.00000
   48    54    60    63.00000  120.00000
   54    48    49    35.00000  120.00000
   54    60    61    35.00000  120.00000
   54    60    66    63.00000  120.00000
   60    54    55    35.00000  120.00000
   60    66    69    60.00000  119.52600
   66    38    43    63.00000  120.00000
   66    60    61    35.00000  120.00000
   66    69    70    75.00000  123.78400
   66    69    39    65.00000  115.47100
   69    39    40    35.00000  109.50000
   69    39    45    70.00000  110.93000
   39    33    37    70.00000  112.17500
   39    33    38    70.00000  112.17500
   39    69    70    80.00000  120.40000
   39    45    50    70.00000  120.00000
   39    45    71    70.00000  120.00000
   45    39    40    35.00000  109.50000
   45    50    51    35.00000  120.00000
   45    50    56    63.00000  120.00000
   45    71    67    63.00000  120.00000
   45    71    72    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    62    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    62    63    35.00000  120.00000
   56    62    67    63.00000  120.00000
   62    56    57    35.00000  120.00000
   62    67    68    35.00000  120.00000
   62    67    71    63.00000  120.00000
   67    62    63    35.00000  120.00000
   67    71    72    35.00000  120.00000
   71    45    50    63.00000  120.00000
   71    67    68    35.00000  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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    64  -0.16000  1.0 1.0
   29    33    37    64  -0.03200 -1.0 2.0
   29    33    37    64   0.04500  1.0 3.0
   29    33    38    43  -0.16000  1.0 1.0
   29    33    38    43  -0.03200 -1.0 2.0
   29    33    38    43   0.04500  1.0 3.0
   29    33    38    66  -0.16000  1.0 1.0
   29    33    38    66  -0.03200 -1.0 2.0
   29    33    38    66   0.04500  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    46   3.62500 -1.0 2.0
   33    37    64    58   3.62500 -1.0 2.0
   33    37    64    65   3.62500 -1.0 2.0
   33    38    43    44   3.62500 -1.0 2.0
   33    38    43    48   3.62500 -1.0 2.0
   33    38    66    60   3.62500 -1.0 2.0
   33    38   -66    69   3.62500 -1.0 2.0
   33    39    45    50   0.04150 -1.0 2.0
   33    39    45    71   0.04150 -1.0 2.0
   37    33    38    43   0.04300 -1.0 2.0
   37    33    38    66   0.04300 -1.0 2.0
   37    33    39    69   0.56750  1.0 1.0
   37    33    39    69  -0.07550 -1.0 2.0
   37    33    39    69   0.20000  1.0 3.0
   37    33    39    40   0.43200  1.0 3.0
   37    33    39    45  -0.94300  1.0 1.0
   37    33    39    45   1.32550 -1.0 2.0
   37    33    39    45  -0.07100  1.0 3.0
   37    41    46    47   3.62500 -1.0 2.0
   37    41    46    52   3.62500 -1.0 2.0
   41    37    64    58   3.62500 -1.0 2.0
   41    37    64    65   3.62500 -1.0 2.0
   41    46    52    53   3.62500 -1.0 2.0
   41    46   -52    58   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    52   3.62500 -1.0 2.0
   46    52    58    59   3.62500 -1.0 2.0
   46    52    58    64   3.62500 -1.0 2.0
   47    46    52    53   3.62500 -1.0 2.0
   47    46    52    58   3.62500 -1.0 2.0
   52    58   -64    37   3.62500 -1.0 2.0
   52    58    64    65   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    64   3.62500 -1.0 2.0
   59    58    64    37   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   64    37    41    42   3.62500 -1.0 2.0
   64    37   -41    46   3.62500 -1.0 2.0
   38    33    37    41   0.04300 -1.0 2.0
   38    33    37    64   0.04300 -1.0 2.0
   38    33   -39    69   0.56750  1.0 1.0
   38    33   -39    69  -0.07550 -1.0 2.0
   38    33   -39    69   0.20000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    45  -0.94300  1.0 1.0
   38    33    39    45   1.32550 -1.0 2.0
   38    33    39    45  -0.07100  1.0 3.0
   38    43    48    49   3.62500 -1.0 2.0
   38    43    48    54   3.62500 -1.0 2.0
   38    66    69    70   1.05000 -1.0 2.0
   38    66   -69    39   2.26350  1.0 1.0
   38    66   -69    39   0.76750 -1.0 2.0
   38    66   -69    39   0.22500  1.0 3.0
   43    38    66    60   3.62500 -1.0 2.0
   43    38    66    69   3.62500 -1.0 2.0
   43    48    54    55   3.62500 -1.0 2.0
   43    48   -54    60   3.62500 -1.0 2.0
   44    43    48    49   3.62500 -1.0 2.0
   44    43    48    54   3.62500 -1.0 2.0
   48    54    60    61   3.62500 -1.0 2.0
   48    54    60    66   3.62500 -1.0 2.0
   49    48    54    55   3.62500 -1.0 2.0
   49    48    54    60   3.62500 -1.0 2.0
   54    60   -66    38   3.62500 -1.0 2.0
   54    60    66    69   3.62500 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    66   3.62500 -1.0 2.0
   60    66    69    70   1.05000 -1.0 2.0
   60    66    69    39   2.26350  1.0 1.0
   60    66    69    39   0.76750 -1.0 2.0
   60    66    69    39   0.22500  1.0 3.0
   61    60    66    38   3.62500 -1.0 2.0
   61    60    66    69   3.62500 -1.0 2.0
   66    38    43    44   3.62500 -1.0 2.0
   66    38   -43    48   3.62500 -1.0 2.0
   66    69   -39    33   0.05850 -1.0 2.0
   66    69   -39    33   0.17250  1.0 3.0
   66    69    39    40   0.00000  1.0 1.0
   66    69    39    45   0.65300  1.0 1.0
   66    69    39    45  -0.03850 -1.0 2.0
   66    69    39    45   0.33900  1.0 3.0
   69    39    45    50   0.04300 -1.0 2.0
   69    39    45    71   0.04300 -1.0 2.0
   70    69    39    33   0.30150 -1.0 2.0
   70    69    39    40   0.00000  1.0 1.0
   70    69    39    45   0.30150 -1.0 2.0
   39    33    37    41   0.04150 -1.0 2.0
   39    33    37    64   0.04150 -1.0 2.0
   39    33    38    43   0.04150 -1.0 2.0
   39    33   -38    66   0.04150 -1.0 2.0
   39    45    50    51   3.62500 -1.0 2.0
   39    45    50    56   3.62500 -1.0 2.0
   39    45    71    67   3.62500 -1.0 2.0
   39    45    71    72   3.62500 -1.0 2.0
   40    39    45    50   0.00000  1.0 1.0
   40    39    45    71   0.00000  1.0 1.0
   45    50    56    57   3.62500 -1.0 2.0
   45    50    56    62   3.62500 -1.0 2.0
   50    45    71    67   3.62500 -1.0 2.0
   50    45    71    72   3.62500 -1.0 2.0
   50    56    62    63   3.62500 -1.0 2.0
   50    56   -62    67   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    62   3.62500 -1.0 2.0
   56    62    67    68   3.62500 -1.0 2.0
   56    62    67    71   3.62500 -1.0 2.0
   57    56    62    63   3.62500 -1.0 2.0
   57    56    62    67   3.62500 -1.0 2.0
   62    67   -71    45   3.62500 -1.0 2.0
   62    67    71    72   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    71   3.62500 -1.0 2.0
   68    67    71    45   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   71    45    50    51   3.62500 -1.0 2.0
   71    45   -50    56   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   41    64    37    33   4.00000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   52    47    46    41   1.10000 -1.0 2.0
   58    53    52    46   1.10000 -1.0 2.0
   64    59    58    52   1.10000 -1.0 2.0
   58    65    64    37   1.10000 -1.0 2.0
   43    66    38    33   4.00000 -1.0 2.0
   48    44    43    38   1.10000 -1.0 2.0
   54    49    48    43   1.10000 -1.0 2.0
   60    55    54    48   1.10000 -1.0 2.0
   66    61    60    54   1.10000 -1.0 2.0
   60    69    66    38   4.00000 -1.0 2.0
   66    39    69    70  10.50000 -1.0 2.0
   50    71    45    39   4.00000 -1.0 2.0
   56    51    50    45   1.10000 -1.0 2.0
   62    57    56    50   1.10000 -1.0 2.0
   67    63    62    56   1.10000 -1.0 2.0
   71    68    67    62   1.10000 -1.0 2.0
   67    72    71    45   1.10000 -1.0 2.0
END
