* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    235     424
    1     0 S   NP   _N1_     1    28.42985    97.39729   -22.55382
    2     1 S   H    _HN1     2     1.02776   105.02912  -122.71922
    3     1 S   H    _H1_     3     1.02954    73.24470   -17.71057
    4     1 S   H    _H2_     4     1.02834    37.12818   137.37412
    5     1 S   CT   _CA1     5     1.50153   138.33865    84.38151
    6     5 S   HC   _HA1     6     1.09578   105.19583    90.37830
    7     5 S   CO3  _C1_     7     1.53783   112.14057   -29.73667
    8     7 S   O2Z  _O11     8     1.26366   115.00631   -48.15981
    9     7 S   O2Z  _O12     9     1.26220   114.91662   130.61783
   10     5 S   CT   _CB1    10     1.53073   107.36908  -151.83159
   11    10 S   HC   HB11    11     1.09834   109.32306   -50.40694
   12    10 S   HC   HB12    12     1.09812   110.47501    66.12964
   13    10 S   CT   _CG1    13     1.53031   112.67519  -171.42199
   14    13 S   HC   HG11    14     1.09597   110.54813   -64.59536
   15    13 S   HC   HG12    15     1.09657   109.89718    54.61978
   16    13 S   C    _CD1    16     1.51861   112.13983   174.97812
   17    16 S   O    _OE1    17     1.22785   123.25312     2.90758
   18    16 S   N    _N2_    18     1.38474   111.83111  -177.10315
   19    18 S   H    _HN2    19     1.01649   119.27187     2.44537
   20    18 S   CT1  _CA2    20     1.45930   122.87262   178.86823
   21    20 S   HC   _HA2    21     1.09741   108.67718    28.95087
   22    20 S   C    _C2_    22     1.52953   107.13766   -88.09753
   23    22 S   O    _O2_    23     1.22989   123.06158   -28.11426
   24    20 S   CT   _CB2    32     1.53150   111.92767   151.91668
   25    24 S   HC   HB21    33     1.09389   109.36674    54.65784
   26    24 S   HC   HB22    34     1.09432   110.24478   173.57801
   27    22 S   N    _N3_    24     1.38563   112.65412   153.92886
   28    27 S   H    _HN3    25     1.01641   120.38101    -0.98834
   29    24 S   S    _SG2    35     1.82856   110.48328   -66.29742
   30    27 S   CT   _CA3    26     1.45359   122.28268  -179.41987
   31    30 S   HC   HA31    27     1.09519   107.79673   -55.29003
   32    30 S   HC   HA32    28     1.09566   107.57016    60.79671
   33    29 S   CT   _C20    36     1.83964   101.23875   169.59540
   34    33 S   OM   _O39    37     1.31988   109.67638   176.12263
   35    30 S   CO3  _C3_    29     1.52870   114.49993  -177.85799
   36    35 S   O2Z  _O31    30     1.26313   116.13546    -8.58479
   37    35 S   O2Z  _O32    31     1.26560   114.43504   171.34152
   38    33 S   CM   _C21    38     1.51714   112.18606   -61.97776
   39    33 S   CO4  _C19    70     1.53857   109.12583    63.61110
   40    39 S   O    _O36    71     1.23525   122.70201    34.86962
   41    38 S   CMA  _C23    39     1.36227   126.58800   120.46130
   42    41 S   OM   _O38    40     1.26859   130.07862   179.78878
   43    38 S   C    _C22    74     1.50608   117.57880   -58.01439
   44    43 S   O    _O37    75     1.22690   122.35472    79.43392
   45    41 S   CT   _C16    41     1.55296   118.15544     0.44893
   46    43 S   N    _N4_    76     1.37451   113.21821  -100.80519
   47    46 S   H    _H13    77     1.01405   121.63860    -0.00000
   48    46 S   H    _H14    78     1.01246   120.63982  -179.75134
   49    45 S   CO4  _C15    42     1.54017   111.32440   -96.56278
   50    49 S   O    _O35    43     1.23074   121.64474   -30.22113
   51    45 S   OH   _O40    72     1.44041   111.05845   147.98659
   52    51 S   HO   _H15    73     0.97493   105.95043    35.51043
   53    49 S   CA   _C7_    44     1.50378   119.53796   152.55075
   54    53 S   CA   _C6_    45     1.39730   120.20251     2.01703
   55    54 S   CA   _C5_    46     1.42655   119.59598   176.41133
   56    54 S   CT   _C18    65     1.51538   120.22139    -2.86280
   57    56 S   HC   _H11    66     1.09719   108.28589    97.18739
   58    56 S   HC   _H12    67     1.09688   110.03571  -145.73966
   59    55 S   CA   _C10    47     1.44976   121.68648     9.70134
   60    55 S   CT   _C4_    61     1.51710   117.33432  -168.94244
   61    60 S   HC   _H4_    62     1.09346   110.70448   -97.13266
   62    60 S   HC   _H5_    63     1.09422   112.50210    23.99101
   63    60 S   HC   _H6_    64     1.09376   110.76573   138.68843
   64    45 S   CT   _C17    68     1.52432   112.53818    28.49792
   65    64 S   HC   _H3_    69     1.09971   109.76749    64.08210
   66    59 S   CA   _C9_    48     1.42789   117.06250   -10.84883
   67    66 S   CA   _C14    49     1.42828   118.58590  -175.36105
   68    53 S   CA   _C8_    58     1.40693   120.90553  -178.71382
   69    67 S   CA   _C13    50     1.39011   123.14698    -2.55864
   70    69 S   HA   _H8_    51     1.08601   121.22596  -179.52563
   71    67 S   OH   _O33    56     1.37566   120.61571   177.26863
   72    71 S   HO   _H9_    57     0.97438   108.85981   156.78741
   73    68 S   OH   _O34    59     1.37851   120.07931    -0.05595
   74    73 S   HO   _H10    60     0.97208   110.27407     0.27836
   75    69 S   CA   _C12    52     1.37593   118.99147    -0.95327
   76    75 S   HA   _H7_    53     1.08758   118.81281  -177.34760
   77    59 S   CA   _C11    54     1.44464   126.78076   168.70523
   78    77 S   Cl   Cl1_    55     1.74019   124.23362    -9.12559
  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  12   4  13   5   5   3  12   2   1   1
  12   5   5   1  13  15  15   7   3   2  14   5   2   1   1   1
   1  11   9   5   7   4   2   1   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    64    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    56    64    65    39    40    43    44    46  
   38    41    64    39    40    43  
   36    37  
   37  
    0  
   41    42    45    49    64    39    40    51    43    44    46    47    48  
   40    51    43    41    45    49    54    56    57    58    64    65  
   45    56    64    65  
   42    45    49    50    53    56    64    65    51    52    43    44    46  
   45    49    64    51    43  
   44    46    47    48    45  
   46    47    48  
   49    50    53    54    68    56    57    58    64    65    51    52  
   47    48  
   48  
    0  
   50    53    54    55    66    68    73    56    64    65    51    52  
   53    54    68    64    51  
   52    53    56    64    65  
   64  
   54    55    59    66    67    68    73    74    60    56    57    58    64  
   55    59    66    77    68    73    60    61    62    63    56    57    58    64    65  
   59    66    67    75    77    78    68    60    61    62    63    56    57    58    64  
   57    58    64    65    59    60    68  
   58    64    65  
   64    65  
   66    67    69    75    76    77    78    71    68    73    60    61    62    63  
   61    62    63    66    77  
   62    63  
   63  
    0  
   65  
    0  
   67    69    70    75    77    78    71    72    68    73    74  
   69    70    75    76    77    71    72    68    73  
   73    74    69    71    77  
   70    75    76    77    78    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    49   317.000  1.522
   45    64   268.000  1.529
   45    51   320.000  1.410
   49    50   570.000  1.229
   49    53   310.000  1.470
   53    54   469.000  1.400
   53    68   469.000  1.400
   54    55   469.000  1.400
   54    56   317.000  1.510
   55    59   469.000  1.400
   55    60   317.000  1.510
   59    66   469.000  1.400
   59    77   469.000  1.400
   66    67   469.000  1.400
   66    68   469.000  1.400
   67    69   469.000  1.400
   67    71   450.000  1.364
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   71    72   553.000  0.945
   68    73   450.000  1.364
   73    74   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    39   317.000  1.522
   39    40   570.000  1.229
   51    52   553.000  0.945
   43    44   570.000  1.229
   43    46   490.000  1.335
   46    47   434.000  1.010
   46    48   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  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    64    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    46    80.00000  111.56200
   41    45    49    70.00000  109.06800
   41    45    64    70.00000  112.02700
   41    45    51    90.00000  110.39200
   45    41    42    85.00000  112.85300
   45    49    50    80.00000  120.40000
   45    49    53    65.00000  115.47100
   45    64    56    58.35000  112.70000
   45    64    65    37.50000  110.70000
   45    64    39    63.00000  111.10000
   45    51    52    55.00000  108.50000
   49    53    54    60.00000  119.52600
   49    53    68    60.00000  119.52600
   53    49    50    75.00000  123.78400
   53    54    55    63.00000  120.00000
   53    54    56    70.00000  120.00000
   53    68    66    63.00000  120.00000
   53    68    73    70.00000  120.00000
   54    55    59    63.00000  120.00000
   54    55    60    70.00000  120.00000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    64    70.00000  112.17500
   55    59    66    63.00000  120.00000
   55    59    77    63.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   59    66    67    63.00000  120.00000
   59    66    68    63.00000  120.00000
   59    77    75    63.00000  120.00000
   59    77    78    75.00000  120.00000
   66    67    69    63.00000  120.00000
   66    67    71    70.00000  120.00000
   66    68    73    70.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    75    63.00000  120.00000
   67    71    72    35.00000  113.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    59    66    63.00000  120.00000
   77    75    76    35.00000  120.00000
   71    67    69    70.00000  120.00000
   68    53    54    63.00000  120.00000
   68    66    67    63.00000  120.00000
   68    73    74    35.00000  113.00000
   60    55    59    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    54    55    70.00000  120.00000
   56    64    65    37.50000  110.70000
   56    64    39    63.00000  111.10000
   58    56    57    33.00000  107.80000
   64    45    49    63.00000  111.10000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    64    65    35.00000  109.50000
   51    45    49    90.00000  109.61100
   51    45    64    50.00000  109.50000
   43    38    41    60.00000  120.04000
   43    46    47    35.00000  119.80000
   43    46    48    35.00000  119.80000
   46    43    44    80.00000  122.90000
   48    46    47    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    64   0.65300  1.0 1.0
   29    33    39    64  -0.03850 -1.0 2.0
   29    33    39    64   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    46   1.59650  1.0 1.0
   33    38    43    46   0.42750 -1.0 2.0
   33    38    43    46  -0.48350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    64   0.55300  1.0 1.0
   34    33    39    64   1.25850 -1.0 2.0
   34    33    39    64  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    64   0.65300  1.0 1.0
   38    33    39    64  -0.03850 -1.0 2.0
   38    33    39    64   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    49  -0.51250  1.0 1.0
   38    41    45    49  -0.88800 -1.0 2.0
   38    41    45    49   0.08850  1.0 3.0
   38    41   -45    64   0.09850  1.0 1.0
   38    41   -45    64   0.15250 -1.0 2.0
   38    41   -45    64  -0.50650  1.0 3.0
   38    41    45    51   0.67800  1.0 1.0
   38    41    45    51   0.47050 -1.0 2.0
   38    41    45    51  -0.62500  1.0 3.0
   38    43    46    47   2.56700 -1.0 2.0
   38    43    46    48   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    46   0.49500  1.0 1.0
   41    38    43    46   1.31600 -1.0 2.0
   41    38    43    46  -0.02300  1.0 3.0
   41    45    49    50   0.30150 -1.0 2.0
   41    45    49    53   0.65300  1.0 1.0
   41    45    49    53  -0.03850 -1.0 2.0
   41    45    49    53   0.33900  1.0 3.0
   41    45    64    56   0.34400  1.0 1.0
   41    45    64    56   0.09450 -1.0 2.0
   41    45    64    56   0.11100  1.0 3.0
   41    45    64    65   0.15000  1.0 3.0
   41    45    64    39  -0.98800  1.0 1.0
   41    45    64    39   0.48800 -1.0 2.0
   41    45    64    39   0.76800  1.0 3.0
   41    45    51    52  -0.07800  1.0 1.0
   41    45    51    52  -0.21500 -1.0 2.0
   41    45    51    52  -0.03150  1.0 3.0
   42    41    45    49   0.09700  1.0 1.0
   42    41    45    49   0.15600 -1.0 2.0
   42    41    45    49  -0.50800  1.0 3.0
   42    41    45    64   0.09700  1.0 1.0
   42    41    45    64   0.15600 -1.0 2.0
   42    41    45    64  -0.50800  1.0 3.0
   42    41    45    51   0.09700  1.0 1.0
   42    41    45    51   0.15600 -1.0 2.0
   42    41    45    51  -0.50800  1.0 3.0
   45    49    53    54   2.26350  1.0 1.0
   45    49    53    54   0.76750 -1.0 2.0
   45    49    53    54   0.22500  1.0 3.0
   45    49    53    68   2.26350  1.0 1.0
   45    49    53    68   0.76750 -1.0 2.0
   45    49    53    68   0.22500  1.0 3.0
   45    64   -39    33   0.60050  1.0 1.0
   45    64   -39    33   0.05600 -1.0 2.0
   45    64   -39    33   0.26150  1.0 3.0
   45    64    39    40   0.30150 -1.0 2.0
   49    45    64    56  -0.95700  1.0 1.0
   49    45    64    56  -0.18200 -1.0 2.0
   49    45    64    56   0.29450  1.0 3.0
   49    45    64    65  -0.11250  1.0 3.0
   49    45    64    39   0.11950  1.0 1.0
   49    45    64    39   0.20300 -1.0 2.0
   49    45    64    39  -0.70800  1.0 3.0
   49    45    51    52   0.91850  1.0 1.0
   49    45    51    52   0.57950  1.0 3.0
   49    53    54    55   3.62500 -1.0 2.0
   49    53   -54    56   3.62500 -1.0 2.0
   49    53    68    66   3.62500 -1.0 2.0
   49    53    68    73   3.62500 -1.0 2.0
   50    49    53    54   1.05000 -1.0 2.0
   50    49    53    68   1.05000 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    55    60   3.62500 -1.0 2.0
   53    54    56    57   0.00000  1.0 1.0
   53    54    56    58   0.00000  1.0 1.0
   53    54    56    64   0.04150 -1.0 2.0
   53    68    73    74   0.84100 -1.0 2.0
   54    53    68    66   3.62500 -1.0 2.0
   54    53    68    73   3.62500 -1.0 2.0
   54    55   -59    66   3.62500 -1.0 2.0
   54    55    59    77   3.62500 -1.0 2.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    63   0.00000  1.0 1.0
   54    56   -64    45  -0.03700  1.0 1.0
   54    56   -64    45   0.37200 -1.0 2.0
   54    56   -64    45  -0.47300  1.0 3.0
   54    56    64    65   0.43200  1.0 3.0
   54    56    64    39   0.56750  1.0 1.0
   54    56    64    39  -0.07550 -1.0 2.0
   54    56    64    39   0.20000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    64   0.04150 -1.0 2.0
   55    59    66    67   3.62500 -1.0 2.0
   55    59    66    68   3.62500 -1.0 2.0
   55    59    77    75   3.62500 -1.0 2.0
   55    59    77    78   3.62500 -1.0 2.0
   59    55    60    61   0.00000  1.0 1.0
   59    55    60    62   0.00000  1.0 1.0
   59    55    60    63   0.00000  1.0 1.0
   59    66    67    69   3.62500 -1.0 2.0
   59    66    67    71   3.62500 -1.0 2.0
   59    66   -68    53   3.62500 -1.0 2.0
   59    66    68    73   3.62500 -1.0 2.0
   66    59    77    75   3.62500 -1.0 2.0
   66    59    77    78   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67   -69    75   3.62500 -1.0 2.0
   66    67    71    72   0.84100 -1.0 2.0
   66    68    73    74   0.84100 -1.0 2.0
   67    66    68    53   3.62500 -1.0 2.0
   67    66    68    73   3.62500 -1.0 2.0
   67    69    75    76   3.62500 -1.0 2.0
   67    69    75    77   3.62500 -1.0 2.0
   69    67    71    72   0.84100 -1.0 2.0
   69    75   -77    59   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   76    75    77    59   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    59   -66    67   3.62500 -1.0 2.0
   77    59    66    68   3.62500 -1.0 2.0
   71    67    69    70   3.62500 -1.0 2.0
   71    67    69    75   3.62500 -1.0 2.0
   68    53   -54    55   3.62500 -1.0 2.0
   68    53    54    56   3.62500 -1.0 2.0
   68    66    67    69   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   60    55    59    66   3.62500 -1.0 2.0
   60    55    59    77   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    54    55    60   3.62500 -1.0 2.0
   56    64    39    33   0.60050  1.0 1.0
   56    64    39    33   0.05600 -1.0 2.0
   56    64    39    33   0.26150  1.0 3.0
   56    64    39    40   0.30150 -1.0 2.0
   57    56    64    45   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    39  -0.11250  1.0 3.0
   58    56    64    45   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    39  -0.11250  1.0 3.0
   64    45    49    50   0.30150 -1.0 2.0
   64    45   -49    53   0.05850 -1.0 2.0
   64    45   -49    53   0.17250  1.0 3.0
   64    45    51    52  -0.11600  1.0 1.0
   64    45    51    52  -0.09450 -1.0 2.0
   64    45    51    52   0.21250  1.0 3.0
   65    64    39    33   0.00000  1.0 1.0
   65    64    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   51    45    49    50   0.30150 -1.0 2.0
   51    45    49    53   0.65300  1.0 1.0
   51    45    49    53  -0.03850 -1.0 2.0
   51    45    49    53   0.33900  1.0 3.0
   51    45    64    56   0.86500  1.0 1.0
   51    45    64    56  -0.17500 -1.0 2.0
   51    45    64    56   0.20800  1.0 3.0
   51    45    64    65   0.23400  1.0 3.0
   51    45    64    39  -0.09450  1.0 1.0
   51    45    64    39  -1.12950 -1.0 2.0
   51    45    64    39   0.54000  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    46    47   2.45000 -1.0 2.0
   44    43    46    48   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
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    53    49    50  10.50000 -1.0 2.0
   54    68    53    49   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   59    60    55    54   4.00000 -1.0 2.0
   66    77    59    55   4.00000 -1.0 2.0
   67    68    66    59   4.00000 -1.0 2.0
   69    71    67    66   4.00000 -1.0 2.0
   75    70    69    67   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    59   4.00000 -1.0 2.0
   66    73    68    53   4.00000 -1.0 2.0
   33    64    39    40  10.50000 -1.0 2.0
   38    46    43    44  10.50000 -1.0 2.0
   48    43    46    47   1.00000 -1.0 2.0
END
