* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    117    191     347
    1     0 S   NP   _N1_     1    28.69216    95.27537   -21.01067
    2     1 S   H    _HN1     2     1.02961    89.14362    30.61777
    3     1 S   H    _H1_     3     1.02836    35.01042   152.77473
    4     1 S   H    _H2_     4     1.02774    86.07287   -77.80514
    5     1 S   CT   _CA1     5     1.50101   145.69223   157.28439
    6     5 S   HC   _HA1     6     1.09569   105.28827    56.47594
    7     5 S   CO3  _C1_     7     1.53848   112.30084   -63.85860
    8     7 S   O2Z  _O11     8     1.26361   115.00873   -45.20904
    9     7 S   O2Z  _O12     9     1.26234   114.92231   134.02817
   10     5 S   CT   _CB1    10     1.53099   107.44024   174.46997
   11    10 S   HC   HB11    11     1.09820   109.53070   -50.14944
   12    10 S   HC   HB12    12     1.09827   110.31797    66.43765
   13    10 S   CT   _CG1    13     1.53004   112.61969  -171.24967
   14    13 S   HC   HG11    14     1.09599   110.34332   -59.69104
   15    13 S   HC   HG12    15     1.09626   110.14225    59.53082
   16    13 S   C    _CD1    16     1.51794   112.21555   179.98022
   17    16 S   O    _OE1    17     1.22721   123.25109    -8.66896
   18    16 S   N    _N2_    18     1.38609   111.61806   171.40822
   19    18 S   H    _HN2    19     1.01587   119.00476     2.45160
   20    18 S   CT1  _CA2    20     1.46263   123.42039  -176.00791
   21    20 S   HC   _HA2    21     1.09723   109.43231   -13.75133
   22    20 S   C    _C2_    22     1.53343   108.33678  -129.68944
   23    22 S   O    _O2_    23     1.23005   122.27179  -144.91323
   24    20 S   CT   _CB2    32     1.53480   111.07676   108.25015
   25    24 S   HC   HB21    33     1.09582   109.43309    55.72002
   26    24 S   HC   HB22    34     1.09498   110.67220   174.54461
   27    22 S   N    _N3_    24     1.38516   113.31330    42.37098
   28    27 S   H    _HN3    25     1.01531   118.92321    -0.51205
   29    24 S   S    _SG2    35     1.82903   111.56567   -65.60048
   30    27 S   CT   _CA3    26     1.45446   123.40279   175.14304
   31    30 S   HC   HA31    27     1.09526   109.19725    25.23458
   32    30 S   HC   HA32    28     1.09495   107.13557   142.22967
   33    29 S   CT   _C10    36     1.84833    99.85695   154.90790
   34    33 S   HC   _H3_    37     1.09754   105.97999   -46.80636
   35    30 S   CO3  _C3_    29     1.52926   113.12696   -98.21378
   36    35 S   O2Z  _O31    30     1.26400   115.40457   -44.64815
   37    35 S   O2Z  _O32    31     1.26355   114.98159   136.28520
   38    33 S   CA   _C9_    38     1.51735   110.39580    72.05090
   39    33 S   CT   _C11    51     1.54191   109.20580  -161.99546
   40    39 S   HC   _H4_    52     1.09635   113.61414   -61.85073
   41    38 S   CA   _C4_    39     1.40546   121.75645    68.72517
   42    41 S   HA   _H5_    40     1.08736   120.55321    -0.15577
   43    39 S   CO4  _C12    53     1.51736   112.53219   173.98849
   44    43 S   O    _O33    54     1.21629   128.29719    61.81934
   45    41 S   CA   _C5_    41     1.39683   120.84125  -179.90721
   46    45 S   HA   _H6_    42     1.08621   119.32957   180.00000
   47    43 S   CA   _C13    55     1.43745   107.81103  -118.51042
   48    45 S   CA   _C6_    43     1.39251   119.72939     0.07133
   49    47 S   CA   _C18    56     1.37701   105.67494    -0.05234
   50    48 S   CA   _C7_    44     1.39166   120.13449     0.01978
   51    48 S   OH   _O38    49     1.36704   120.48713   179.97202
   52    51 S   HO   _H13    50     0.97203   108.73330     0.08623
   53    49 S   CA   _C17    57     1.38154   120.65218   179.74359
   54    53 S   HA   _H9_    58     1.08500   121.21267  -179.86012
   55    39 S   OS   _O34    67     1.46063   109.61961    58.51796
   56    38 S   CA   _C8_    45     1.40485   119.59830  -111.02467
   57    56 S   HA   _H7_    46     1.08731   119.84795    -0.12820
   58    50 S   OH   _O37    47     1.36753   119.27167   179.91607
   59    58 S   HO   _H12    48     0.97194   108.79896  -179.88986
   60    53 S   CA   _C16    59     1.39790   117.65382     0.06853
   61    60 S   CA   _C15    60     1.40554   121.60501    -0.04846
   62    61 S   HA   _H8_    61     1.08643   120.55164  -180.00000
   63    60 S   OH   _O35    65     1.36800   117.82113   179.95154
   64    63 S   HO   _H10    66     0.97226   108.69238   179.57479
   65    47 S   CA   _C14    62     1.37999   131.73685   179.71061
   66    65 S   OH   _O36    63     1.36057   122.84385     0.21489
   67    66 S   HO   _H11    64     0.97439   108.46931     0.23407
  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   9   5   4   3
  15   7   2   1   1  13  10   5   8   4   8   4   7   3  10   7
   8   6   3   1   8   4   2   3   1   1   1   6   6   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    56    57    39    40    43    44    47    49    55  
   38    41    56    39    40    43    55  
   36    37  
   37  
    0  
   41    42    45    46    48    50    56    57    58    39    40    43    55  
   40    43    44    47    49    53    65    55    41    56  
   43    44    47    49    55  
   42    45    46    48    50    56    57    51  
   45    46    48    56  
   44    47    49    53    61    65    66    55  
   47    49    65    55  
   46    48    50    56    58    51    52  
   48    50    51  
   49    53    54    60    61    62    65    66    67    55  
   50    56    57    58    59    51    52  
   53    54    60    61    65    66    63    55  
   56    57    58    59    51    52  
   52    56    58  
    0  
   54    60    61    62    65    63    64    55  
   60    61    63    55  
   60    65  
   57    58    59  
   58  
   59  
    0  
   61    62    65    66    63    64  
   62    65    66    67    63    64  
   65    66    63  
   64    65  
    0  
   66    67  
   67  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   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   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   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    39   268.000  1.529
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    56   469.000  1.400
   50    58   450.000  1.364
   56    57   367.000  1.080
   58    59   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    55   320.000  1.410
   43    44   570.000  1.229
   43    47   310.000  1.470
   47    49   469.000  1.400
   47    65   469.000  1.400
   49    53   469.000  1.400
   49    55   450.000  1.364
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   450.000  1.364
   66    67   553.000  0.945
   63    64   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    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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    50    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    51    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    56    63.00000  120.00000
   48    50    58    70.00000  120.00000
   48    51    52    35.00000  113.00000
   50    56    57    35.00000  120.00000
   50    58    59    35.00000  113.00000
   56    38    41    63.00000  120.00000
   58    50    56    70.00000  120.00000
   51    48    50    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    47    65.00000  115.47100
   39    55    49    75.00000  111.00000
   43    39    40    35.00000  109.50000
   43    47    49    60.00000  119.52600
   43    47    65    60.00000  119.52600
   47    43    44    75.00000  123.78400
   47    49    53    63.00000  120.00000
   47    49    55    70.00000  120.00000
   47    65    61    63.00000  120.00000
   47    65    66    70.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    60    63.00000  120.00000
   53    60    61    63.00000  120.00000
   53    60    63    70.00000  120.00000
   60    53    54    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    66    70.00000  120.00000
   65    47    49    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    66    67    35.00000  113.00000
   63    60    61    70.00000  120.00000
   55    39    40    35.00000  109.50000
   55    39    43    90.00000  108.74100
   55    49    53    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    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  -0.23050  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    50   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    47   0.05850 -1.0 2.0
   33    39    43    47   0.17250  1.0 3.0
   33    39    55    49  -0.32850  1.0 1.0
   33    39    55    49  -0.35800 -1.0 2.0
   33    39    55    49   0.33950  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    55  -0.64350  1.0 1.0
   38    33    39    55  -0.04200 -1.0 2.0
   38    33    39    55   0.19800  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    50   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    51   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    56   3.62500 -1.0 2.0
   45    48    50    58   3.62500 -1.0 2.0
   45    48    51    52   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   48    50   -56    38   3.62500 -1.0 2.0
   48    50    56    57   3.62500 -1.0 2.0
   48    50    58    59   0.84100 -1.0 2.0
   50    48    51    52   0.84100 -1.0 2.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    50    58    59   0.84100 -1.0 2.0
   58    50    56    38   3.62500 -1.0 2.0
   58    50    56    57   3.62500 -1.0 2.0
   51    48    50    56   3.62500 -1.0 2.0
   51    48    50    58   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   39    43   -47    49   2.26350  1.0 1.0
   39    43   -47    49   0.76750 -1.0 2.0
   39    43   -47    49   0.22500  1.0 3.0
   39    43    47    65   2.26350  1.0 1.0
   39    43    47    65   0.76750 -1.0 2.0
   39    43    47    65   0.22500  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    55    49   0.08050  1.0 3.0
   43    39   -55    49  -0.25600  1.0 1.0
   43    39   -55    49  -0.40050 -1.0 2.0
   43    39   -55    49   0.34700  1.0 3.0
   43    47    49    53   3.62500 -1.0 2.0
   43    47   -49    55   3.62500 -1.0 2.0
   43    47    65    61   3.62500 -1.0 2.0
   43    47    65    66   3.62500 -1.0 2.0
   44    43    47    49   1.05000 -1.0 2.0
   44    43    47    65   1.05000 -1.0 2.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    60   3.62500 -1.0 2.0
   47    49   -55    39   1.63200 -1.0 2.0
   47    65    66    67   0.84100 -1.0 2.0
   49    47    65    61   3.62500 -1.0 2.0
   49    47    65    66   3.62500 -1.0 2.0
   49    53   -60    61   3.62500 -1.0 2.0
   49    53    60    63   3.62500 -1.0 2.0
   53    49    55    39   1.63200 -1.0 2.0
   53    60    61    62   3.62500 -1.0 2.0
   53    60    61    65   3.62500 -1.0 2.0
   53    60    63    64   0.84100 -1.0 2.0
   54    53    60    61   3.62500 -1.0 2.0
   54    53    60    63   3.62500 -1.0 2.0
   60    61   -65    47   3.62500 -1.0 2.0
   60    61    65    66   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65    66    67   0.84100 -1.0 2.0
   62    61    65    47   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   65    47   -49    53   3.62500 -1.0 2.0
   65    47    49    55   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   55    39    43    44   0.30150 -1.0 2.0
   55    39   -43    47   0.65300  1.0 1.0
   55    39   -43    47  -0.03850 -1.0 2.0
   55    39   -43    47   0.33900  1.0 3.0
   55    49    53    54   3.62500 -1.0 2.0
   55    49    53    60   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
   36    30    35    37  10.50000 -1.0 2.0
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    51    48    45   4.00000 -1.0 2.0
   56    58    50    48   4.00000 -1.0 2.0
   50    57    56    38   1.10000 -1.0 2.0
   39    47    43    44  10.50000 -1.0 2.0
   49    65    47    43   4.00000 -1.0 2.0
   53    55    49    47   4.00000 -1.0 2.0
   60    54    53    49   1.10000 -1.0 2.0
   61    63    60    53   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   61    66    65    47   4.00000 -1.0 2.0
END
