* LIGAND DATABASE FILE (OPLS2005)
*
001      63    64    110    176     326
    1     0 S   NP   _N1_     1    28.56298    95.44947   -22.02013
    2     1 S   H    _HN1     2     1.02960    82.46691    23.95163
    3     1 S   H    _H1_     3     1.02837    33.73990   160.82498
    4     1 S   H    _H2_     4     1.02778    94.91321   -83.93041
    5     1 S   CT   _CA1     5     1.50110   142.88655   138.04265
    6     5 S   HC   _HA1     6     1.09572   105.24238    72.42861
    7     5 S   CO3  _C1_     7     1.53784   112.40699   -47.82863
    8     7 S   O2Z  _O11     8     1.26359   114.99920   -43.64895
    9     7 S   O2Z  _O12     9     1.26235   114.92396   135.59372
   10     5 S   CT   _CB1    10     1.53103   107.45187  -169.61776
   11    10 S   HC   HB11    11     1.09825   109.36264   -50.62900
   12    10 S   HC   HB12    12     1.09819   110.40339    65.92994
   13    10 S   CT   _CG1    13     1.53016   112.66725  -171.71546
   14    13 S   HC   HG11    14     1.09595   110.47215   -63.63925
   15    13 S   HC   HG12    15     1.09653   109.96365    55.59262
   16    13 S   C    _CD1    16     1.51808   112.32308   175.99357
   17    16 S   O    _OE1    17     1.22721   123.27274    -0.84996
   18    16 S   N    _N2_    18     1.38635   111.64095   179.16584
   19    18 S   H    _HN2    19     1.01594   119.02286     1.19714
   20    18 S   CT1  _CA2    20     1.46199   123.37104   179.90109
   21    20 S   HC   _HA2    21     1.09739   109.39293    -8.26211
   22    20 S   C    _C2_    22     1.53481   108.45278  -123.85255
   23    22 S   O    _O2_    23     1.23023   122.16745  -146.40625
   24    20 S   CT   _CB2    32     1.53537   111.49924   113.78843
   25    24 S   HC   HB21    33     1.09425   109.45073    56.53685
   26    24 S   HC   HB22    34     1.09459   109.67821   175.11232
   27    22 S   N    _N3_    24     1.38482   113.45549    40.99179
   28    27 S   H    _HN3    25     1.01515   118.93749    -0.72524
   29    24 S   S    _SG2    35     1.83204   111.27940   -65.61073
   30    27 S   CT   _CA3    26     1.45467   123.55640   175.09599
   31    30 S   HC   HA31    27     1.09516   109.36485    21.65955
   32    30 S   HC   HA32    28     1.09500   107.08144   138.69641
   33    29 S   CT   _C17    36     1.87156   102.26864   166.10041
   34    33 S   Cl   Cl2_    37     1.80374   110.72653    48.05223
   35    33 S   Cl   Cl3_    38     1.82971   106.25067   -66.39045
   36    30 S   CO3  _C3_    29     1.52928   113.06255  -101.90306
   37    36 S   O2Z  _O31    30     1.26407   115.39772   -43.95918
   38    36 S   O2Z  _O32    31     1.26353   114.98421   136.95866
   39    33 S   CT   _C10    39     1.59849   110.60585   174.39426
   40    39 S   CA   _C9_    40     1.54895   118.99489   -55.06013
   41    39 S   CA   _C11    51     1.55051   111.56386   175.94938
   42    39 S   OH   _O33    62     1.45445   105.25413    60.07867
   43    42 S   HO   _H11    63     0.97387   107.47102   -56.68131
   44    40 S   CA   _C4_    41     1.41452   118.60465   163.36021
   45    44 S   HA   _H3_    42     1.08892   120.17938    -0.69295
   46    41 S   CA   _C12    52     1.40867   120.96247    84.98115
   47    46 S   HA   _H7_    53     1.08744   120.82051     0.22555
   48    44 S   CA   _C5_    43     1.39710   121.85544   179.07085
   49    48 S   HA   _H4_    44     1.08655   119.41759   179.84549
   50    46 S   CA   _C13    54     1.39756   121.32947  -179.96044
   51    50 S   HA   _H8_    55     1.08678   119.32875   179.98022
   52    48 S   CA   _C6_    45     1.38911   119.54475    -0.30964
   53    52 S   Cl   Cl4_    46     1.72084   119.95991  -179.96574
   54    50 S   CA   _C14    56     1.39117   119.77676    -0.06256
   55    54 S   Cl   Cl1_    57     1.72124   119.87343   180.00000
   56    52 S   CA   _C7_    47     1.39092   120.09861    -0.17017
   57    56 S   HA   _H5_    48     1.08719   120.73426  -179.72660
   58    54 S   CA   _C15    58     1.39125   120.24788    -0.05595
   59    58 S   HA   _H9_    59     1.08680   120.89331  -180.00000
   60    40 S   CA   _C8_    49     1.40330   124.35411   -18.49918
   61    60 S   HA   _H6_    50     1.08332   122.09263     1.00073
   62    41 S   CA   _C16    60     1.40806   121.49964   -95.19611
   63    62 S   HA   _H10    61     1.08762   120.86135     0.19782
  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   7   5   4   3
  11   5   4   2   1   1  16  14  13   5   1   8   4   8   4   6
   3   6   3   5   3   5   3   3   2   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    44    60    41    46    62    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    44    45    48    56    60    61    41    46    47    50    58    62    63    42    43  
   44    45    48    49    52    56    57    60    61    41    46    62    42    43  
   46    47    50    51    54    58    59    62    63    42    43    44    60  
   43    44    46    60    62  
    0  
   45    48    49    52    53    56    60    61  
   48    49    52    60  
   47    50    51    54    55    58    62    63  
   50    51    54    62  
   49    52    53    56    57    60  
   52    53    56  
   51    54    55    58    59    62  
   54    55    58  
   53    56    57    60    61  
   56    57    60  
   55    58    59    62    63  
   58    59    62  
   57    60    61  
   60    61  
   59    62    63  
   62    63  
   61  
    0  
   63  
    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  -0.175000   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   0.150500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   35   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.623600   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   54   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   245.000  1.781
   33    35   245.000  1.781
   33    39   268.000  1.529
   39    40   317.000  1.510
   39    41   317.000  1.510
   39    42   320.000  1.410
   40    44   469.000  1.400
   40    60   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   300.000  1.725
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   41    46   469.000  1.400
   41    62   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   300.000  1.725
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    85.00000  110.65400
   29    33    35    85.00000  110.65400
   29    33    39    75.00000  111.63000
   33    39    40    70.00000  112.17500
   33    39    41    70.00000  112.17500
   33    39    42    50.00000  109.50000
   35    33    34    80.00000  110.42200
   39    33    34    69.00000  109.80000
   39    33    35    69.00000  109.80000
   39    40    44    70.00000  120.00000
   39    40    60    70.00000  120.00000
   39    41    46    70.00000  120.00000
   39    41    62    70.00000  120.00000
   39    42    43    55.00000  108.50000
   40    44    45    35.00000  120.00000
   40    44    48    63.00000  120.00000
   40    60    56    63.00000  120.00000
   40    60    61    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    52    53    75.00000  120.00000
   48    52    56    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    60    63.00000  120.00000
   56    52    53    75.00000  120.00000
   56    60    61    35.00000  120.00000
   60    40    44    63.00000  120.00000
   60    56    57    35.00000  120.00000
   41    39    40    70.00000  112.04700
   41    46    47    35.00000  120.00000
   41    46    50    63.00000  120.00000
   41    62    58    63.00000  120.00000
   41    62    63    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    54    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    55    75.00000  120.00000
   50    54    58    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    62    63.00000  120.00000
   58    54    55    75.00000  120.00000
   58    62    63    35.00000  120.00000
   62    41    46    63.00000  120.00000
   62    58    59    35.00000  120.00000
   42    39    40    90.00000  112.51600
   42    39    41    90.00000  112.51600
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    44   0.04150 -1.0 2.0
   33    39    40    60   0.04150 -1.0 2.0
   33    39    41    46   0.04150 -1.0 2.0
   33    39    41    62   0.04150 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.56750  1.0 1.0
   34    33    39    40  -0.07550 -1.0 2.0
   34    33    39    40   0.20000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   34    33    39    42   0.56750  1.0 1.0
   34    33    39    42  -0.07550 -1.0 2.0
   34    33    39    42   0.20000  1.0 3.0
   35    33    39    40   0.56750  1.0 1.0
   35    33    39    40  -0.07550 -1.0 2.0
   35    33    39    40   0.20000  1.0 3.0
   35    33    39    41   0.56750  1.0 1.0
   35    33    39    41  -0.07550 -1.0 2.0
   35    33    39    41   0.20000  1.0 3.0
   35    33    39    42   0.56750  1.0 1.0
   35    33    39    42  -0.07550 -1.0 2.0
   35    33    39    42   0.20000  1.0 3.0
   39    40    44    45   3.62500 -1.0 2.0
   39    40    44    48   3.62500 -1.0 2.0
   39    40    60    56   3.62500 -1.0 2.0
   39    40    60    61   3.62500 -1.0 2.0
   39    41    46    47   3.62500 -1.0 2.0
   39    41    46    50   3.62500 -1.0 2.0
   39    41    62    58   3.62500 -1.0 2.0
   39    41    62    63   3.62500 -1.0 2.0
   40    39    41    46   0.04300 -1.0 2.0
   40    39    41    62   0.04300 -1.0 2.0
   40    39    42    43   0.31900  1.0 1.0
   40    39    42    43  -0.11800 -1.0 2.0
   40    39    42    43   0.38750  1.0 3.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    52   3.62500 -1.0 2.0
   44    40    60    56   3.62500 -1.0 2.0
   44    40    60    61   3.62500 -1.0 2.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48   -52    56   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    52   3.62500 -1.0 2.0
   48    52    56    57   3.62500 -1.0 2.0
   48    52    56    60   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    56   3.62500 -1.0 2.0
   52    56   -60    40   3.62500 -1.0 2.0
   52    56    60    61   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    60   3.62500 -1.0 2.0
   57    56    60    40   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   60    40    44    45   3.62500 -1.0 2.0
   60    40   -44    48   3.62500 -1.0 2.0
   41    39    40    44   0.04300 -1.0 2.0
   41    39    40    60   0.04300 -1.0 2.0
   41    39    42    43   0.31900  1.0 1.0
   41    39    42    43  -0.11800 -1.0 2.0
   41    39    42    43   0.38750  1.0 3.0
   41    46    50    51   3.62500 -1.0 2.0
   41    46    50    54   3.62500 -1.0 2.0
   46    41    62    58   3.62500 -1.0 2.0
   46    41    62    63   3.62500 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50   -54    58   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54    58    59   3.62500 -1.0 2.0
   50    54    58    62   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   54    58   -62    41   3.62500 -1.0 2.0
   54    58    62    63   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    62   3.62500 -1.0 2.0
   59    58    62    41   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   62    41    46    47   3.62500 -1.0 2.0
   62    41   -46    50   3.62500 -1.0 2.0
   42    39    40    44   0.14300 -1.0 2.0
   42    39    40    44   0.00300  1.0 3.0
   42    39    40    60   0.14300 -1.0 2.0
   42    39    40    60   0.00300  1.0 3.0
   42    39    41    46   0.14300 -1.0 2.0
   42    39    41    46   0.00300  1.0 3.0
   42    39    41    62   0.14300 -1.0 2.0
   42    39    41    62   0.00300  1.0 3.0
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
   37    30    36    38  10.50000 -1.0 2.0
   44    60    40    39   4.00000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   56    53    52    48   4.00000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   56    61    60    40   1.10000 -1.0 2.0
   46    62    41    39   4.00000 -1.0 2.0
   50    47    46    41   1.10000 -1.0 2.0
   54    51    50    46   1.10000 -1.0 2.0
   58    55    54    50   4.00000 -1.0 2.0
   62    59    58    54   1.10000 -1.0 2.0
   58    63    62    41   1.10000 -1.0 2.0
END
