* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    166    273     499
    1     0 S   NP   _N1_     1    30.70482    92.84407   -16.69732
    2     1 S   H    _HN1     2     1.02792   103.26492    -6.89793
    3     1 S   H    _H1_     3     1.03217   137.13003   128.13356
    4     1 S   H    _H2_     4     1.02792    33.28420    95.74065
    5     1 S   CT   _CA1     5     1.50306    83.65468  -118.07615
    6     5 S   HC   _HA1     6     1.09551   105.46394    44.40544
    7     5 S   CO3  _C1_     7     1.53830   112.38200   -76.17013
    8     7 S   O2Z  _O11     8     1.26389   115.24621   -48.99019
    9     7 S   O2Z  _O12     9     1.26255   114.84510   130.32098
   10     5 S   CT   _CB1    10     1.52748   106.81584   162.29922
   11    10 S   HC   HB11    11     1.09865   109.58775   -52.19286
   12    10 S   HC   HB12    12     1.09512   109.49625    63.40333
   13    10 S   CT   _CG1    13     1.53054   114.12163  -174.00096
   14    13 S   HC   HG11    14     1.09531   111.65070   -57.31808
   15    13 S   HC   HG12    15     1.09530   110.83282    62.72840
   16    13 S   C    _CD1    16     1.51533   108.86692  -177.50597
   17    16 S   O    _OE1    17     1.22754   121.99983  -101.49115
   18    16 S   N    _N2_    18     1.38502   112.35853    75.68075
   19    18 S   H    _HN2    19     1.01590   118.94679     8.14864
   20    18 S   CT1  _CA2    20     1.46125   123.60640  -168.81716
   21    20 S   HC   _HA2    21     1.09719   109.53318    -4.75786
   22    20 S   C    _C2_    22     1.53236   108.76322  -121.10271
   23    22 S   O    _O2_    23     1.23034   122.17100  -143.61043
   24    20 S   CT   _CB2    32     1.53831   110.61798   116.83477
   25    24 S   HC   HB21    33     1.09230   108.74644    58.27742
   26    24 S   HC   HB22    34     1.09321   109.98791   176.56533
   27    22 S   N    _N3_    24     1.38470   113.43876    43.72334
   28    27 S   H    _HN3    25     1.01519   119.01866    -0.38614
   29    24 S   S    _SG2    35     1.83166   111.05924   -63.35738
   30    27 S   CT   _CA3    26     1.45422   123.12263   175.18716
   31    30 S   HC   HA31    27     1.09549   108.81302    31.59124
   32    30 S   HC   HA32    28     1.09484   107.20202   148.54029
   33    29 S   CT   _C18    36     1.87149   103.18631   166.01575
   34    33 S   OM   _O37    37     1.32196   106.17489  -178.26201
   35    30 S   CO3  _C3_    29     1.52972   113.53795   -91.56452
   36    35 S   O2Z  _O31    30     1.26370   115.63218   -39.13443
   37    35 S   O2Z  _O32    31     1.26392   114.82816   141.81897
   38    33 S   CT   _C19    38     1.55843   111.45644   -59.48919
   39    38 S   HC   _H5_    39     1.09730   107.84936    64.92265
   40    33 S   CT   _C17    71     1.58820   110.76882    63.23415
   41    40 S   HC   _H4_    72     1.09647   106.90322   -57.24128
   42    38 S   CO4  _C20    40     1.52844   109.47419   177.08328
   43    42 S   O    _O33    41     1.23032   122.70980   124.17044
   44    40 S   NP   _N5_    73     1.55199   109.37224    55.76615
   45    44 S   H    _H17    74     1.03029   102.42560   -19.24735
   46    38 S   C    _C23    85     1.53863   116.92736   -54.14244
   47    46 S   O    _O36    86     1.22836   124.89662   -43.48496
   48    42 S   CT   _C21    42     1.53025   115.13303   -59.08562
   49    44 S   CT   _C24    75     1.50654   118.43781    93.78539
   50    49 S   HC   _H18    76     1.09014   109.68811    78.13667
   51    49 S   HC   _H19    77     1.09405   107.42033  -162.69570
   52    49 S   HC   _H20    78     1.08993   109.85224   -44.03050
   53    44 S   CT   _C25    79     1.50475   114.17029  -131.33271
   54    53 S   HC   _H21    80     1.08936   109.27013   -70.53089
   55    53 S   HC   _H22    81     1.09193   108.58627    50.67509
   56    53 S   HC   _H23    82     1.09349   107.94987   169.22291
   57    46 S   N    _N4_    87     1.37918   113.04707   138.17838
   58    57 S   H    _H15    88     1.01378   123.25183     1.00191
   59    57 S   H    _H16    89     1.01763   120.19803  -178.81485
   60    48 S   CO4  _C22    43     1.52426   111.40716   -69.36573
   61    60 S   O    _O34    44     1.23049   120.31763   -33.15688
   62    48 S   OH   _O35    83     1.42604   108.01696   175.91433
   63    62 S   HO   _H14    84     0.97409   107.78480    52.10131
   64    60 S   CA   _C13    45     1.49563   119.77030   148.79854
   65    64 S   CA   _C14    46     1.40143   119.38486     5.97606
   66    64 S   CA   _C12    57     1.40900   120.86605  -174.43595
   67    65 S   CA   _C5_    47     1.42010   119.21505   174.28577
   68    66 S   OH   _O38    58     1.37640   120.61217     1.34756
   69    68 S   HO   _H24    59     0.97204   110.11348    -4.55514
   70    65 S   CT   _C15    66     1.51276   120.00149    -3.73974
   71    70 S   HC   _H12    67     1.09800   107.58385    93.61191
   72    70 S   HC   _H13    68     1.08856   110.23457  -151.10154
   73    67 S   CA   _C6_    48     1.43054   120.65460     8.07766
   74    67 S   CT   _C4_    62     1.51761   119.81542  -173.13782
   75    74 S   HC   _H6_    63     1.09392   110.17520   -97.14102
   76    74 S   HC   _H7_    64     1.09352   112.49272    24.77428
   77    74 S   HC   _H8_    65     1.09472   111.22181   141.05249
   78    48 S   CT   _C16    69     1.53812   110.41033    56.95201
   79    78 S   HC   _H3_    70     1.09885   107.40086    68.21924
   80    73 S   CA   _C7_    49     1.41846   122.09902   174.05367
   81    80 S   HA   _H9_    50     1.08780   121.07279    -1.28024
   82    80 S   CA   _C8_    51     1.39352   122.71066   179.61539
   83    82 S   HA   _H10    52     1.08603   120.09317   179.96044
   84    82 S   CA   _C9_    53     1.38089   119.59844     0.14127
   85    84 S   HA   _H11    54     1.08602   119.45879  -179.98022
   86    84 S   CA   _C10    55     1.39543   119.30544     0.32385
   87    73 S   CA   _C11    56     1.41983   119.87673    -5.54768
   88    86 S   OH   _O39    60     1.37446   117.30480   179.61692
   89    88 S   HO   _H25    61     0.97176   109.40382    -0.34605
  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  10   5   4   3
  18   8   2   1   1  15   7  22   8  13   5  13   9   5   3  12
   8   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13
  15  10  14   4   1   6   3   2  12   5   2   1   1   1   1   7
   4   6   3   5   3   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    78    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    70    78    79    40    41    44    45    49    53    46    47    57  
   38    39    42    78    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    60    78    40    41    44    62    46    47    57    58    59  
   42    43    48    40    46    47    57  
   41    44    45    49    50    51    52    53    54    55    56    62    46    42    48    60    65    70    71    72    78    79  
   44    45    49    53    48    70    78    79  
   43    48    60    61    64    70    78    79    62    63    46    47    57  
   48    60    78    62    46  
   45    49    50    51    52    53    54    55    56    48    70    78    79  
   49    50    51    52    53    54    55    56    78  
   47    57    58    59    48  
   57    58    59  
   60    61    64    65    66    70    71    72    78    79    62    63  
   50    51    52    53    54    55    56    78  
   51    52    53  
   52    53  
   53  
   54    55    56    78  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    64    65    67    87    66    68    70    78    79    62    63  
   64    65    66    78    62  
   63    64    70    78    79  
   78  
   65    67    73    86    87    66    68    69    74    70    71    72    78  
   67    73    80    87    66    68    74    75    76    77    70    71    72    78    79  
   68    69    88    70    67    73    80    84    86    87  
   73    80    81    82    86    87    74    75    76    77    70    71    72    78  
   69    73    86    87  
   87  
   71    72    78    79    73    74  
   72    78    79  
   78    79  
   80    81    82    83    84    86    87    88    74    75    76    77  
   75    76    77    80    87  
   76    77  
   77  
    0  
   79  
    0  
   81    82    83    84    85    86    87  
   82    83    84    87  
   83    84    85    86    87    88  
   84    85    86  
   85    86    87    88    89  
   86    87    88  
   87    88    89  
   88    89  
   89  
    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  -0.012500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   89   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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    60   317.000  1.522
   48    78   268.000  1.529
   48    62   320.000  1.410
   60    61   570.000  1.229
   60    64   310.000  1.470
   64    65   469.000  1.400
   64    66   469.000  1.400
   65    67   469.000  1.400
   65    70   317.000  1.510
   67    73   469.000  1.400
   67    74   317.000  1.510
   73    80   469.000  1.400
   73    87   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   469.000  1.400
   86    88   450.000  1.364
   87    66   469.000  1.400
   66    68   450.000  1.364
   68    69   553.000  0.945
   88    89   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    49   367.000  1.471
   44    53   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   62    63   553.000  0.945
   46    47   570.000  1.229
   46    57   490.000  1.335
   57    58   434.000  1.010
   57    59   434.000  1.010
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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    78    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    57    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    48    60    75.00000  107.99600
   42    48    78    63.00000  111.10000
   42    48    62    90.00000  109.61100
   48    42    43    80.00000  120.40000
   48    60    61    80.00000  120.40000
   48    60    64    65.00000  115.47100
   48    78    70    58.35000  112.70000
   48    78    79    37.50000  110.70000
   48    78    40    58.35000  112.70000
   48    62    63    55.00000  108.50000
   60    64    65    60.00000  119.52600
   60    64    66    60.00000  119.52600
   64    60    61    75.00000  123.78400
   64    65    67    63.00000  120.00000
   64    65    70    70.00000  120.00000
   64    66    87    63.00000  120.00000
   64    66    68    70.00000  120.00000
   65    67    73    63.00000  120.00000
   65    67    74    70.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    78    70.00000  112.17500
   67    73    80    63.00000  120.00000
   67    73    87    63.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   73    80    81    35.00000  120.00000
   73    80    82    63.00000  120.00000
   73    87    86    63.00000  120.00000
   73    87    66    63.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    87    63.00000  120.00000
   84    86    88    70.00000  120.00000
   86    84    85    35.00000  120.00000
   86    87    66    63.00000  120.00000
   86    88    89    35.00000  113.00000
   87    73    80    63.00000  120.00000
   87    66    68    70.00000  120.00000
   66    64    65    63.00000  120.00000
   66    68    69    35.00000  113.00000
   88    86    87    70.00000  120.00000
   74    67    73    70.00000  120.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   70    65    67    70.00000  120.00000
   70    78    79    37.50000  110.70000
   70    78    40    58.35000  112.70000
   72    70    71    33.00000  107.80000
   78    48    60    63.00000  111.10000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    40    41    37.50000  110.70000
   78    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    78    79    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    49    75.00000  113.01200
   40    44    53    75.00000  113.01200
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   44    53    54    35.00000  109.50000
   44    53    55    35.00000  109.50000
   44    53    56    35.00000  109.50000
   49    44    45    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    49    75.00000  113.01200
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   62    48    60    90.00000  109.61100
   62    48    78    50.00000  109.50000
   46    38    39    35.00000  109.50000
   46    38    42    70.00000  107.85200
   46    57    58    35.00000  119.80000
   46    57    59    35.00000  119.80000
   57    46    47    80.00000  122.90000
   59    57    58    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    78   0.44750  1.0 1.0
   29    33    40    78  -0.17800 -1.0 2.0
   29    33    40    78   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    57   1.39750  1.0 1.0
   33    38    46    57  -0.07950 -1.0 2.0
   33    38    46    57  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    49   0.47100  1.0 1.0
   33    40    44    53   0.47100  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    78   0.62750  1.0 1.0
   34    33    40    78  -0.30950 -1.0 2.0
   34    33    40    78   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    78   0.56750  1.0 1.0
   38    33    40    78  -0.07550 -1.0 2.0
   38    33    40    78   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    48    60   0.65300  1.0 1.0
   38    42    48    60  -0.03850 -1.0 2.0
   38    42    48    60   0.33900  1.0 3.0
   38    42   -48    78   0.60050  1.0 1.0
   38    42   -48    78   0.05600 -1.0 2.0
   38    42   -48    78   0.26150  1.0 3.0
   38    42    48    62   0.55300  1.0 1.0
   38    42    48    62   1.25850 -1.0 2.0
   38    42    48    62  -0.23600  1.0 3.0
   38    46    57    58   2.45000 -1.0 2.0
   38    46    57    59   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    57   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    57   0.00000  1.0 1.0
   42    48    60    61   0.30150 -1.0 2.0
   42    48    60    64   0.65300  1.0 1.0
   42    48    60    64  -0.03850 -1.0 2.0
   42    48    60    64   0.33900  1.0 3.0
   42    48    78    70  -0.95700  1.0 1.0
   42    48    78    70  -0.18200 -1.0 2.0
   42    48    78    70   0.29450  1.0 3.0
   42    48    78    79  -0.11250  1.0 3.0
   42    48    78    40  -0.95700  1.0 1.0
   42    48    78    40  -0.18200 -1.0 2.0
   42    48    78    40   0.29450  1.0 3.0
   42    48    62    63   0.91850  1.0 1.0
   42    48    62    63   0.57950  1.0 3.0
   43    42    48    60   0.30150 -1.0 2.0
   43    42    48    78   0.30150 -1.0 2.0
   43    42    48    62   0.30150 -1.0 2.0
   48    60    64    65   2.26350  1.0 1.0
   48    60    64    65   0.76750 -1.0 2.0
   48    60    64    65   0.22500  1.0 3.0
   48    60    64    66   2.26350  1.0 1.0
   48    60    64    66   0.76750 -1.0 2.0
   48    60    64    66   0.22500  1.0 3.0
   48    78   -40    33   0.56750  1.0 1.0
   48    78   -40    33  -0.07550 -1.0 2.0
   48    78   -40    33   0.20000  1.0 3.0
   48    78    40    41   0.15000  1.0 3.0
   48    78    40    44   1.36600  1.0 1.0
   48    78    40    44  -0.11450 -1.0 2.0
   48    78    40    44   0.24250  1.0 3.0
   60    48    78    70  -0.95700  1.0 1.0
   60    48    78    70  -0.18200 -1.0 2.0
   60    48    78    70   0.29450  1.0 3.0
   60    48    78    79  -0.11250  1.0 3.0
   60    48    78    40  -0.95700  1.0 1.0
   60    48    78    40  -0.18200 -1.0 2.0
   60    48    78    40   0.29450  1.0 3.0
   60    48    62    63   0.91850  1.0 1.0
   60    48    62    63   0.57950  1.0 3.0
   60    64    65    67   3.62500 -1.0 2.0
   60    64   -65    70   3.62500 -1.0 2.0
   60    64    66    87   3.62500 -1.0 2.0
   60    64    66    68   3.62500 -1.0 2.0
   61    60    64    65   1.05000 -1.0 2.0
   61    60    64    66   1.05000 -1.0 2.0
   64    65    67    73   3.62500 -1.0 2.0
   64    65    67    74   3.62500 -1.0 2.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.00000  1.0 1.0
   64    65    70    78   0.04150 -1.0 2.0
   64    66    68    69   0.84100 -1.0 2.0
   65    64    66    87   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   65    67    73    80   3.62500 -1.0 2.0
   65    67   -73    87   3.62500 -1.0 2.0
   65    67    74    75   0.00000  1.0 1.0
   65    67    74    76   0.00000  1.0 1.0
   65    67    74    77   0.00000  1.0 1.0
   65    70   -78    48  -0.03700  1.0 1.0
   65    70   -78    48   0.37200 -1.0 2.0
   65    70   -78    48  -0.47300  1.0 3.0
   65    70    78    79   0.43200  1.0 3.0
   65    70    78    40  -0.03700  1.0 1.0
   65    70    78    40   0.37200 -1.0 2.0
   65    70    78    40  -0.47300  1.0 3.0
   67    65    70    71   0.00000  1.0 1.0
   67    65    70    72   0.00000  1.0 1.0
   67    65    70    78   0.04150 -1.0 2.0
   67    73    80    81   3.62500 -1.0 2.0
   67    73    80    82   3.62500 -1.0 2.0
   67    73    87    86   3.62500 -1.0 2.0
   67    73    87    66   3.62500 -1.0 2.0
   73    67    74    75   0.00000  1.0 1.0
   73    67    74    76   0.00000  1.0 1.0
   73    67    74    77   0.00000  1.0 1.0
   73    80    82    83   3.62500 -1.0 2.0
   73    80    82    84   3.62500 -1.0 2.0
   73    87   -66    64   3.62500 -1.0 2.0
   73    87    66    68   3.62500 -1.0 2.0
   80    73    87    86   3.62500 -1.0 2.0
   80    73    87    66   3.62500 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   80    82   -84    86   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   82    84    86    88   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   84    86   -87    73   3.62500 -1.0 2.0
   84    86    87    66   3.62500 -1.0 2.0
   84    86    88    89   0.84100 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    87    66    64   3.62500 -1.0 2.0
   86    87    66    68   3.62500 -1.0 2.0
   87    73    80    81   3.62500 -1.0 2.0
   87    73   -80    82   3.62500 -1.0 2.0
   87    86    88    89   0.84100 -1.0 2.0
   87    66    68    69   0.84100 -1.0 2.0
   66    64   -65    67   3.62500 -1.0 2.0
   66    64    65    70   3.62500 -1.0 2.0
   88    86    87    73   3.62500 -1.0 2.0
   88    86    87    66   3.62500 -1.0 2.0
   74    67    73    80   3.62500 -1.0 2.0
   74    67    73    87   3.62500 -1.0 2.0
   70    65    67    73   3.62500 -1.0 2.0
   70    65    67    74   3.62500 -1.0 2.0
   70    78    40    33   0.56750  1.0 1.0
   70    78    40    33  -0.07550 -1.0 2.0
   70    78    40    33   0.20000  1.0 3.0
   70    78    40    41   0.15000  1.0 3.0
   70    78    40    44   1.36600  1.0 1.0
   70    78    40    44  -0.11450 -1.0 2.0
   70    78    40    44   0.24250  1.0 3.0
   71    70    78    48   0.15000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    40   0.15000  1.0 3.0
   72    70    78    48   0.15000  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    40   0.15000  1.0 3.0
   78    48    60    61   0.30150 -1.0 2.0
   78    48   -60    64   0.05850 -1.0 2.0
   78    48   -60    64   0.17250  1.0 3.0
   78    48    62    63  -0.11600  1.0 1.0
   78    48    62    63  -0.09450 -1.0 2.0
   78    48    62    63   0.21250  1.0 3.0
   78    40    44    45   0.17350  1.0 3.0
   78    40    44    49   0.47100  1.0 1.0
   78    40    44    53   0.47100  1.0 1.0
   79    78    40    33   0.15000  1.0 3.0
   79    78    40    41   0.15000  1.0 3.0
   79    78    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.15000  1.0 3.0
   40    44    53    54   0.15000  1.0 3.0
   40    44    53    55   0.15000  1.0 3.0
   40    44    53    56   0.15000  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    53   0.15000  1.0 3.0
   45    44    49    50   0.13050  1.0 3.0
   45    44    49    51   0.13050  1.0 3.0
   45    44    49    52   0.13050  1.0 3.0
   45    44    53    54   0.13050  1.0 3.0
   45    44    53    55   0.13050  1.0 3.0
   45    44    53    56   0.13050  1.0 3.0
   49    44    53    54   0.15000  1.0 3.0
   49    44    53    55   0.15000  1.0 3.0
   49    44    53    56   0.15000  1.0 3.0
   53    44    49    50   0.15000  1.0 3.0
   53    44    49    51   0.15000  1.0 3.0
   53    44    49    52   0.15000  1.0 3.0
   62    48    60    61   0.30150 -1.0 2.0
   62    48    60    64   0.65300  1.0 1.0
   62    48    60    64  -0.03850 -1.0 2.0
   62    48    60    64   0.33900  1.0 3.0
   62    48    78    70   0.86500  1.0 1.0
   62    48    78    70  -0.17500 -1.0 2.0
   62    48    78    70   0.20800  1.0 3.0
   62    48    78    79   0.23400  1.0 3.0
   62    48    78    40   0.86500  1.0 1.0
   62    48    78    40  -0.17500 -1.0 2.0
   62    48    78    40   0.20800  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    57    58   2.45000 -1.0 2.0
   47    46    57    59   2.45000 -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
   38    48    42    43  10.50000 -1.0 2.0
   48    64    60    61  10.50000 -1.0 2.0
   65    66    64    60   4.00000 -1.0 2.0
   67    70    65    64   4.00000 -1.0 2.0
   73    74    67    65   4.00000 -1.0 2.0
   80    87    73    67   4.00000 -1.0 2.0
   82    81    80    73   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   87    88    86    84   4.00000 -1.0 2.0
   86    66    87    73   4.00000 -1.0 2.0
   87    68    66    64   4.00000 -1.0 2.0
   38    57    46    47  10.50000 -1.0 2.0
   59    46    57    58   1.00000 -1.0 2.0
END
