* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    112    180     333
    1     0 S   NP   _N1_     1    29.17113    94.56460   -19.05141
    2     1 S   H    _HN1     2     1.02956   103.57455    29.10046
    3     1 S   H    _H1_     3     1.02854    39.56022   129.88910
    4     1 S   H    _H2_     4     1.02800    71.84426   -75.84025
    5     1 S   CT   _CA1     5     1.50078   141.43876  -178.68776
    6     5 S   HC   _HA1     6     1.09591   105.31726    27.79676
    7     5 S   CO3  _C1_     7     1.53845   111.82508   -92.12094
    8     7 S   O2Z  _O11     8     1.26371   115.27942   -62.17209
    9     7 S   O2Z  _O12     9     1.26251   114.88846   117.12085
   10     5 S   CT   _CB1    10     1.53080   107.34256   145.21760
   11    10 S   HC   HB11    11     1.09820   109.48026   -52.39363
   12    10 S   HC   HB12    12     1.09827   110.44728    64.06465
   13    10 S   CT   _CG1    13     1.53022   112.54560  -173.54351
   14    13 S   HC   HG11    14     1.09497   110.32910   -55.50103
   15    13 S   HC   HG12    15     1.09594   110.34019    63.51850
   16    13 S   C    _CD1    16     1.51741   111.51152  -176.56305
   17    16 S   O    _OE1    17     1.22788   122.80442   -23.82723
   18    16 S   N    _N2_    18     1.38491   112.07896   157.28456
   19    18 S   H    _HN2    19     1.01566   119.31341     1.31164
   20    18 S   CT1  _CA2    20     1.46237   123.28536  -176.01454
   21    20 S   HC   _HA2    21     1.09721   109.44375    -8.73595
   22    20 S   C    _C2_    22     1.53397   108.67601  -124.65158
   23    22 S   O    _O2_    23     1.23030   122.24999  -147.51333
   24    20 S   CT   _CB2    32     1.53445   111.02258   113.06320
   25    24 S   HC   HB21    33     1.09335   109.14254    58.82325
   26    24 S   HC   HB22    34     1.09530   110.45827   176.76675
   27    22 S   N    _N3_    24     1.38522   113.46417    40.01904
   28    27 S   H    _HN3    25     1.01515   118.85546    -0.71819
   29    24 S   S    _SG2    35     1.83498   111.23126   -64.12498
   30    27 S   CT   _CA3    26     1.45431   123.44030   175.26397
   31    30 S   HC   HA31    27     1.09525   109.23064    24.82296
   32    30 S   HC   HA32    28     1.09497   107.13012   141.79006
   33    29 S   CT   _C12    36     1.90845   101.85897   145.33500
   34    33 S   OM   _O35    37     1.32194   106.43354    60.80050
   35    30 S   CO3  _C3_    29     1.52907   113.09250   -98.66897
   36    35 S   O2Z  _O31    30     1.26405   115.37876   -46.12520
   37    35 S   O2Z  _O32    31     1.26354   115.01299   134.84470
   38    33 S   CA   _C13    38     1.54721   108.52380   -62.53445
   39    33 S   CM   _C11    51     1.54330   106.54558   173.42410
   40    39 S   HC   _H7_    52     1.09581   112.74273   -16.23698
   41    38 S   CA   _C14    39     1.41589   121.89808   116.71614
   42    41 S   HA   _H8_    40     1.08773   120.83929     0.28736
   43    39 S   CMA  _C10    53     1.36552   134.17057   163.17270
   44    43 S   OM   _O36    54     1.26893   125.97690  -178.66778
   45    41 S   CA   _C15    41     1.39816   122.03872  -179.90935
   46    45 S   HA   _H9_    42     1.08600   119.71421  -179.79537
   47    43 S   CA   _C9_    55     1.49522   116.20104     2.13387
   48    45 S   CA   _C16    43     1.38637   119.66519     0.00000
   49    47 S   CA   _C4_    56     1.40458   120.86878    77.70650
   50    49 S   HA   _H3_    57     1.08730   120.27300    -0.98913
   51    48 S   CA   _C17    44     1.38886   120.48770     0.00000
   52    51 S   HA   _H10    45     1.08539   119.96679  -179.55765
   53    48 S   OH   _O34    49     1.36596   118.42657  -179.93744
   54    53 S   HO   _H12    50     0.97281   108.41301  -179.56795
   55    49 S   CA   _C5_    58     1.39595   120.50014   179.28948
   56    55 S   HA   _H4_    59     1.08585   119.77693   179.23921
   57    38 S   CA   _C18    46     1.41536   121.83177   -63.00704
   58    55 S   CA   _C6_    60     1.39182   119.63631    -0.69998
   59    57 S   OH   _O33    47     1.37259   120.02823    -0.45197
   60    59 S   HO   _H11    48     0.97484   109.51778  -177.17381
   61    58 S   CA   _C7_    61     1.39270   120.84065    -0.55883
   62    61 S   HA   _H5_    62     1.08558   121.10806  -179.62258
   63    58 S   OH   _O37    65     1.36674   118.19987   179.65113
   64    63 S   HO   _H13    66     0.97226   108.34093  -178.84682
   65    47 S   CA   _C8_    63     1.40598   120.17538  -105.03579
   66    65 S   HA   _H6_    64     1.08763   120.16432     1.38847
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  13   8   3   8   4   8   3   7   3   9   6
   8   4   6   3   2   1   7   3   2   6   1   1   5   3   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    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    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    57    59    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    52    57    59    60    39    40    43  
   40    43    44    47    49    65    41    57  
   43    44    47  
   42    45    46    48    51    57    59    53  
   45    46    48    57  
   44    47    49    50    55    61    65    66  
   47    49    65  
   46    48    51    52    57    53    54  
   48    51    53  
   49    50    55    56    58    61    62    65    66  
   51    52    57    59    53    54  
   50    55    56    58    61    65    66    63  
   55    56    58    65  
   52    57    59    60    53    54  
   57    59    53  
   54    57  
    0  
   56    58    61    62    65    63    64  
   58    61    63  
   59    60  
   61    62    65    66    63    64  
   60  
    0  
   62    65    66    63    64  
   65    66    63  
   64    65  
    0  
   66  
    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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   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   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   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   0.000000   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   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    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   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    57   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    51   469.000  1.400
   48    53   450.000  1.364
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    59   450.000  1.364
   59    60   553.000  0.945
   53    54   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    65   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    61   469.000  1.400
   58    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   367.000  1.080
   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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    51    63.00000  120.00000
   38    57    59    70.00000  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    51    63.00000  120.00000
   45    48    53    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    57    63.00000  120.00000
   48    53    54    35.00000  113.00000
   51    57    59    70.00000  120.00000
   57    38    41    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    59    60    35.00000  113.00000
   53    48    51    70.00000  120.00000
   39    33    34    85.00000  110.90400
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    47    49    60.00000  120.93500
   43    47    65    60.00000  120.93500
   47    43    44    85.00000  114.86500
   47    49    50    35.00000  120.00000
   47    49    55    63.00000  120.00000
   47    65    61    63.00000  120.00000
   47    65    66    35.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    58    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    58    61    63.00000  120.00000
   55    58    63    70.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    65    63.00000  120.00000
   58    63    64    35.00000  113.00000
   61    65    66    35.00000  120.00000
   65    47    49    63.00000  120.00000
   65    61    62    35.00000  120.00000
   63    58    61    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   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    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  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    57    51   3.62500 -1.0 2.0
   33    38    57    59   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.64500  1.0 1.0
   34    33    38    41   0.14800 -1.0 2.0
   34    33    38    41   0.20650  1.0 3.0
   34    33    38    57   0.64500  1.0 1.0
   34    33    38    57   0.14800 -1.0 2.0
   34    33    38    57   0.20650  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    43   0.39000  1.0 1.0
   34    33    39    43  -0.05800 -1.0 2.0
   34    33    39    43  -0.55150  1.0 3.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   38    57    59    60   0.84100 -1.0 2.0
   41    38    57    51   3.62500 -1.0 2.0
   41    38    57    59   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    53   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    51    52   3.62500 -1.0 2.0
   45    48    51    57   3.62500 -1.0 2.0
   45    48    53    54   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    51   -57    38   3.62500 -1.0 2.0
   48    51    57    59   3.62500 -1.0 2.0
   51    48    53    54   0.84100 -1.0 2.0
   51    57    59    60   0.84100 -1.0 2.0
   52    51    57    38   3.62500 -1.0 2.0
   52    51    57    59   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    57   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49   0.15800  1.0 1.0
   39    43    47    49   1.85350 -1.0 2.0
   39    43    47    49  -0.48700  1.0 3.0
   39    43    47    65   0.15800  1.0 1.0
   39    43    47    65   1.85350 -1.0 2.0
   39    43    47    65  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   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  -0.01750  1.0 1.0
   44    43    47    49  -0.32000 -1.0 2.0
   44    43    47    49   0.00600  1.0 3.0
   44    43    47    65  -0.01750  1.0 1.0
   44    43    47    65  -0.32000 -1.0 2.0
   44    43    47    65   0.00600  1.0 3.0
   47    49    55    56   3.62500 -1.0 2.0
   47    49    55    58   3.62500 -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    55   -58    61   3.62500 -1.0 2.0
   49    55    58    63   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    58   3.62500 -1.0 2.0
   55    58    61    62   3.62500 -1.0 2.0
   55    58    61    65   3.62500 -1.0 2.0
   55    58    63    64   0.84100 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   56    55    58    63   3.62500 -1.0 2.0
   58    61   -65    47   3.62500 -1.0 2.0
   58    61    65    66   3.62500 -1.0 2.0
   61    58    63    64   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    50   3.62500 -1.0 2.0
   65    47   -49    55   3.62500 -1.0 2.0
   63    58    61    62   3.62500 -1.0 2.0
   63    58    61    65   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    57    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
   51    53    48    45   4.00000 -1.0 2.0
   57    52    51    48   1.10000 -1.0 2.0
   51    59    57    38   4.00000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   49    65    47    43   4.00000 -1.0 2.0
   55    50    49    47   1.10000 -1.0 2.0
   58    56    55    49   1.10000 -1.0 2.0
   61    63    58    55   4.00000 -1.0 2.0
   65    62    61    58   1.10000 -1.0 2.0
   61    66    65    47   1.10000 -1.0 2.0
END
