* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    158    245     461
    1     0 S   NP   _N1_     1    28.70016    95.92885   -23.09592
    2     1 S   H    _HN1     2     1.02949    76.39195     9.56834
    3     1 S   H    _H1_     3     1.02829    35.47079   159.01172
    4     1 S   H    _H2_     4     1.02788   101.81897   -96.70657
    5     1 S   CT   _CA1     5     1.50107   139.97915   115.24730
    6     5 S   HC   _HA1     6     1.09573   105.20836    84.71235
    7     5 S   CO3  _C1_     7     1.53790   112.38252   -35.54802
    8     7 S   O2Z  _O11     8     1.26372   115.01908   -44.60816
    9     7 S   O2Z  _O12     9     1.26232   114.93663   134.48823
   10     5 S   CT   _CB1    10     1.53072   107.41418  -157.32992
   11    10 S   HC   HB11    11     1.09834   109.40036   -49.76911
   12    10 S   HC   HB12    12     1.09813   110.44845    66.83520
   13    10 S   CT   _CG1    13     1.52994   112.59510  -170.73420
   14    13 S   HC   HG11    14     1.09585   110.63145   -64.88653
   15    13 S   HC   HG12    15     1.09667   109.80615    54.35465
   16    13 S   C    _CD1    16     1.51798   112.17497   174.82191
   17    16 S   O    _OE1    17     1.22742   123.26523     6.49311
   18    16 S   N    _N2_    18     1.38633   111.69986  -173.63832
   19    18 S   H    _HN2    19     1.01591   119.03503     1.57520
   20    18 S   CT1  _CA2    20     1.46223   123.39905   178.20681
   21    20 S   HC   _HA2    21     1.09742   109.28711     3.39165
   22    20 S   C    _C2_    22     1.53581   108.91934  -112.11132
   23    22 S   O    _O2_    23     1.23067   122.26622  -150.02045
   24    20 S   CT   _CB2    32     1.53400   111.53863   125.21388
   25    24 S   HC   HB21    33     1.09519   109.51578    56.69741
   26    24 S   HC   HB22    34     1.09392   109.93529   175.56341
   27    22 S   N    _N3_    24     1.38327   113.77699    37.57757
   28    27 S   H    _HN3    25     1.01574   119.55039    -3.61568
   29    24 S   S    _SG2    35     1.83135   111.05458   -63.72075
   30    27 S   CT   _CA3    26     1.45280   123.23271   177.03700
   31    30 S   HC   HA31    27     1.09549   107.53240   -64.11972
   32    30 S   HC   HA32    28     1.09557   107.96400    52.31997
   33    29 S   CT   _C17    36     1.91977   101.42861  -167.90362
   34    30 S   CO3  _C3_    29     1.52959   114.07010   174.30398
   35    34 S   O2Z  _O31    30     1.26377   116.06603    -0.42704
   36    34 S   O2Z  _O32    31     1.26425   114.41984   179.63203
   37    33 S   CM   _C18    37     1.54753   105.00403   -54.93251
   38    33 S   OS   _O37    79     1.45240   110.57092    60.24744
   39    37 S   CMA  _C19    38     1.36163   120.80221   -79.36223
   40    39 S   OM   _O35    39     1.26203   133.50149   177.00808
   41    37 S   OS   _O36    74     1.38481   112.05779    99.47143
   42    38 S   CT   _C22    80     1.42060   118.57621    46.55497
   43    42 S   HC   _H23    81     1.09400   107.64121   164.05463
   44    42 S   HC   _H24    82     1.09129   112.81117    45.01180
   45    42 S   HC   _H25    83     1.09283   110.90107   -78.99299
   46    39 S   CT   _C20    40     1.53036   115.80471    -3.74272
   47    46 S   HC   _H18    41     1.09717   109.21246    72.83298
   48    46 S   HC   _H19    42     1.09674   111.03145  -174.30350
   49    41 S   CT   _C21    75     1.41811   120.74972   176.38822
   50    49 S   HC   _H20    76     1.09449   107.59033  -176.82695
   51    49 S   HC   _H21    77     1.09400   111.15167    66.02850
   52    49 S   HC   _H22    78     1.09432   111.30096   -59.50564
   53    46 S   CT   _C11    43     1.55759   111.17083   -50.26544
   54    53 S   CA   _C9_    44     1.55863   108.89818   -68.66726
   55    53 S   CT   _C12    71     1.54562   111.28572   170.11089
   56    55 S   HC   _H9_    72     1.09834   110.84871   157.51589
   57    55 S   HC   _H10    73     1.09290   114.36182    35.64134
   58    54 S   CA   _C8_    45     1.41407   119.74621   115.45040
   59    58 S   CA   _C7_    46     1.40616   121.02187  -175.40330
   60    59 S   HA   _H7_    47     1.08819   120.05228   178.51010
   61    58 S   CT   _C16    59     1.50178   122.06254     4.99042
   62    61 S   HC   _H16    60     1.09738   109.79167   147.92890
   63    61 S   HC   _H17    61     1.09372   109.88455   -94.67370
   64    59 S   CA   _C6_    48     1.38900   121.25085    -2.45973
   65    64 S   HA   _H6_    49     1.08465   118.01684  -179.40258
   66    61 S   CT   _C15    62     1.51451   109.63328    29.59533
   67    66 S   HC   _H14    63     1.10140   108.49981    58.74559
   68    66 S   HC   _H15    64     1.09418   109.35312   172.33807
   69    64 S   CA   _C5_    50     1.38928   119.56717    -0.14265
   70    33 S   CT   _C14    65     1.61737   113.00095  -175.75038
   71    54 S   CA   _C10    51     1.42073   123.97797   -63.47644
   72    69 S   OS   _O33    54     1.37409   124.48364  -178.87988
   73    70 S   NTH  _N4_    66     1.49189   111.05092   -30.85771
   74    73 S   H    _H13    67     1.01939   110.68298    -5.35127
   75    71 S   OH   _O34    52     1.37415   123.60195    -3.97995
   76    75 S   HO   _H8_    53     0.96362   110.98618     6.77083
   77    72 S   CT   _C4_    55     1.42212   117.35524    -0.66998
   78    77 S   HC   _H3_    56     1.09430   107.73683  -179.68102
   79    77 S   HC   _H4_    57     1.09494   111.14071    62.61825
   80    77 S   HC   _H5_    58     1.09497   111.15998   -61.96695
   81    73 S   CT   _C13    68     1.45358   108.99807   115.22664
   82    81 S   HC   _H11    69     1.09528   110.80597   -89.08425
   83    81 S   HC   _H12    70     1.09386   111.16492   151.04195
  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
  22   2   1   1  16  10  10   5   6   4   2   1   1  13   5   4
   3   2   1   1  19  19  11   6   5  14  10   4   9   5   4   6
   3   6   3   2   8   6   4   5   4   3   1   1   3   2   1   1
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    70    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    53    66    70    73    41    38    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    46    53    54    61    66    67    68    70    73    74    81    55    41    49    38    42    43    44    45  
   35    36  
   36  
    0  
   39    40    46    47    48    53    66    70    73    41    49    50    51    52    38    42  
   42    43    44    45    39    41    53    66    70    73  
   40    46    47    48    53    54    70    55    41    49  
   46    47    48    53    41  
   49    50    51    52    46    70  
   43    44    45    70  
   44    45  
   45  
    0  
   47    48    53    54    58    71    66    70    73    81    55    56    57  
   48    53    54    70    55  
   53    54    70    55  
   50    51    52  
   51    52  
   52  
    0  
   54    58    59    69    71    75    61    66    67    68    70    73    74    81    82    83    55    56    57  
   58    59    60    64    69    71    75    76    72    61    62    63    66    70    73    81    55    56    57  
   56    57    58    66    70    71    73    74    81    82    83  
   57    70    73    81    82    83  
   70    73    81    82    83  
   59    60    64    65    69    71    75    61    62    63    66    67    68    70  
   60    64    65    69    71    72    61    62    63    66  
   64    65    69    61  
   62    63    66    67    68    70    73    64    71  
   63    66    67    68    70  
   66    67    68    70  
   65    69    71    75    72    77  
   69    71    72  
   67    68    70    73    74    81  
   68    70    73  
   70    73  
   71    75    76    72    77    78    79    80  
   73    74    81    82    83    71  
   75    76    72    77  
   77    78    79    80    75  
   74    81    82    83  
   81    82    83  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82    83  
   83  
    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  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.585200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   74   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    70   268.000  1.529
   33    38   320.000  1.410
   37    39   465.000  1.376
   37    41   440.000  1.360
   39    40   745.000  1.250
   39    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    54   317.000  1.510
   53    70   268.000  1.529
   53    55   268.000  1.529
   54    58   469.000  1.400
   54    71   469.000  1.400
   58    59   469.000  1.400
   58    61   317.000  1.510
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    71   469.000  1.400
   69    72   450.000  1.364
   71    75   450.000  1.364
   75    76   553.000  0.945
   72    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   268.000  1.529
   70    73   305.000  1.454
   73    74   500.000  1.015
   73    81   305.000  1.454
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   41    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   38    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    70    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    41    85.00000  112.85300
   33    70    53    58.35000  112.70000
   33    70    66    58.35000  112.70000
   33    70    73    80.00000  111.29100
   33    38    42    60.00000  109.50000
   37    39    40    65.00000  137.10300
   37    39    46    65.00000  122.18000
   37    41    49    90.00000  111.18400
   39    46    47    45.00000  110.52000
   39    46    48    45.00000  110.52000
   39    46    53    70.00000  112.02700
   46    39    40    85.00000  112.85300
   46    53    54    70.00000  112.17500
   46    53    70    58.35000  112.70000
   46    53    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    54    58    70.00000  120.00000
   53    54    71    70.00000  120.00000
   53    70    66    58.35000  112.70000
   53    70    73    80.00000  111.29100
   53    55    81    58.35000  112.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   54    58    59    63.00000  120.00000
   54    58    61    70.00000  120.00000
   54    71    69    63.00000  120.00000
   54    71    75    70.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    64    63.00000  120.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    66    70.00000  112.17500
   59    64    65    35.00000  120.00000
   59    64    69    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    69    71    63.00000  120.00000
   64    69    72    70.00000  120.00000
   69    64    65    35.00000  120.00000
   69    71    75    70.00000  120.00000
   69    72    77    75.00000  111.00000
   71    54    58    63.00000  120.00000
   71    75    76    35.00000  113.00000
   72    69    71    70.00000  120.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   61    58    59    70.00000  120.00000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    70    73    80.00000  111.29100
   68    66    67    33.00000  107.80000
   70    33    37    70.00000  112.02700
   70    53    54    70.00000  112.17500
   70    66    67    37.50000  110.70000
   70    66    68    37.50000  110.70000
   70    73    74    50.00000  109.23200
   70    73    81    75.00000  112.02600
   73    81    82    50.00000  110.59500
   73    81    83    50.00000  110.59500
   73    81    55    80.00000  111.29100
   81    73    74    50.00000  109.23200
   81    55    56    37.50000  110.70000
   81    55    57    37.50000  110.70000
   83    81    82    33.00000  107.80000
   55    53    54    70.00000  112.17500
   55    53    70    58.35000  112.70000
   55    81    82    37.50000  110.70000
   55    81    83    37.50000  110.70000
   57    55    56    33.00000  107.80000
   41    37    39    80.00000  120.01400
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    52    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
   38    33    37    85.00000  110.90400
   38    33    70    50.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    70   0.01700  1.0 1.0
   24    29    33    70  -0.23550 -1.0 2.0
   24    29    33    70   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    37    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    70    53   0.44750  1.0 1.0
   29    33    70    53  -0.17800 -1.0 2.0
   29    33    70    53   0.20200  1.0 3.0
   29    33    70    66   0.44750  1.0 1.0
   29    33    70    66  -0.17800 -1.0 2.0
   29    33    70    66   0.20200  1.0 3.0
   29    33    70    73   0.56750  1.0 1.0
   29    33    70    73  -0.07550 -1.0 2.0
   29    33    70    73   0.20000  1.0 3.0
   29    33    38    42   0.14700  1.0 1.0
   29    33    38    42  -1.16150 -1.0 2.0
   29    33    38    42   0.48700  1.0 3.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    46   7.00000 -1.0 2.0
   33    37    41    49   2.00000 -1.0 2.0
   33    70    73    74   0.03200  1.0 1.0
   33    70    73    74   0.33800 -1.0 2.0
   33    70    73    81  -0.35450  1.0 1.0
   33    70    73    81   0.44050 -1.0 2.0
   33    70    73    81   0.77100  1.0 3.0
   33    38    42    43   0.37050  1.0 3.0
   33    38    42    44   0.37050  1.0 3.0
   33    38    42    45   0.37050  1.0 3.0
   37    33    70    53   0.34400  1.0 1.0
   37    33    70    53   0.09450 -1.0 2.0
   37    33    70    53   0.11100  1.0 3.0
   37    33    70    66   0.34400  1.0 1.0
   37    33    70    66   0.09450 -1.0 2.0
   37    33    70    66   0.11100  1.0 3.0
   37    33    70    73   0.59950  1.0 1.0
   37    33    70    73  -0.21400 -1.0 2.0
   37    33    70    73   0.56200  1.0 3.0
   37    33    38    42  -0.77900  1.0 1.0
   37    33    38    42  -0.36900 -1.0 2.0
   37    33    38    42   0.40400  1.0 3.0
   37    39    46    47   0.00000  1.0 1.0
   37    39    46    48   0.00000  1.0 1.0
   37    39   -46    53   0.09850  1.0 1.0
   37    39   -46    53   0.15250 -1.0 2.0
   37    39   -46    53  -0.50650  1.0 3.0
   37    41    49    50   0.08050  1.0 3.0
   37    41    49    51   0.08050  1.0 3.0
   37    41    49    52   0.08050  1.0 3.0
   39    37    41    49  -2.26850  1.0 1.0
   39    37    41    49   3.39050 -1.0 2.0
   39    46    53    54   0.21200  1.0 1.0
   39    46    53    54   0.16900 -1.0 2.0
   39    46    53    54  -1.15100  1.0 3.0
   39    46    53    70   0.34400  1.0 1.0
   39    46    53    70   0.09450 -1.0 2.0
   39    46    53    70   0.11100  1.0 3.0
   39    46    53    55   0.34400  1.0 1.0
   39    46    53    55   0.09450 -1.0 2.0
   39    46    53    55   0.11100  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    48   0.00000  1.0 1.0
   40    39    46    53   0.09700  1.0 1.0
   40    39    46    53   0.15600 -1.0 2.0
   40    39    46    53  -0.50800  1.0 3.0
   46    53    54    58   0.04150 -1.0 2.0
   46    53    54    71   0.04150 -1.0 2.0
   46    53   -70    33   0.56750  1.0 1.0
   46    53   -70    33  -0.07550 -1.0 2.0
   46    53   -70    33   0.20000  1.0 3.0
   46    53    70    66   0.56750  1.0 1.0
   46    53    70    66  -0.07550 -1.0 2.0
   46    53    70    66   0.20000  1.0 3.0
   46    53    70    73   1.53400  1.0 1.0
   46    53    70    73  -0.09950 -1.0 2.0
   46    53    70    73   0.05700  1.0 3.0
   46    53    55    81   0.56750  1.0 1.0
   46    53    55    81  -0.07550 -1.0 2.0
   46    53    55    81   0.20000  1.0 3.0
   46    53    55    56   0.15000  1.0 3.0
   46    53    55    57   0.15000  1.0 3.0
   47    46    53    54   0.43200  1.0 3.0
   47    46    53    70   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   48    46    53    54   0.43200  1.0 3.0
   48    46    53    70   0.15000  1.0 3.0
   48    46    53    55   0.15000  1.0 3.0
   53    54    58    59   3.62500 -1.0 2.0
   53    54    58    61   3.62500 -1.0 2.0
   53    54    71    69   3.62500 -1.0 2.0
   53    54    71    75   3.62500 -1.0 2.0
   53    70    73    74   0.03200  1.0 1.0
   53    70    73    74   0.33800 -1.0 2.0
   53    70   -73    81  -0.35450  1.0 1.0
   53    70   -73    81   0.44050 -1.0 2.0
   53    70   -73    81   0.77100  1.0 3.0
   54    53    70    33  -0.03700  1.0 1.0
   54    53    70    33   0.37200 -1.0 2.0
   54    53    70    33  -0.47300  1.0 3.0
   54    53    70    66  -0.03700  1.0 1.0
   54    53    70    66   0.37200 -1.0 2.0
   54    53    70    66  -0.47300  1.0 3.0
   54    53    70    73   0.83750  1.0 1.0
   54    53    70    73   0.32200 -1.0 2.0
   54    53    70    73   0.70600  1.0 3.0
   54    53    55    81  -0.03700  1.0 1.0
   54    53    55    81   0.37200 -1.0 2.0
   54    53    55    81  -0.47300  1.0 3.0
   54    53    55    56   0.43200  1.0 3.0
   54    53    55    57   0.43200  1.0 3.0
   54    58    59    60   3.62500 -1.0 2.0
   54    58    59    64   3.62500 -1.0 2.0
   54    58    61    62   0.00000  1.0 1.0
   54    58    61    63   0.00000  1.0 1.0
   54    58   -61    66   0.04150 -1.0 2.0
   54    71    75    76   0.84100 -1.0 2.0
   58    54    71    69   3.62500 -1.0 2.0
   58    54    71    75   3.62500 -1.0 2.0
   58    59    64    65   3.62500 -1.0 2.0
   58    59   -64    69   3.62500 -1.0 2.0
   58    61    66    67   0.43200  1.0 3.0
   58    61    66    68   0.43200  1.0 3.0
   58    61    66    70  -0.03700  1.0 1.0
   58    61    66    70   0.37200 -1.0 2.0
   58    61    66    70  -0.47300  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    66   0.04150 -1.0 2.0
   59    64    69    71   3.62500 -1.0 2.0
   59    64    69    72   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    69   3.62500 -1.0 2.0
   64    69   -71    54   3.62500 -1.0 2.0
   64    69    71    75   3.62500 -1.0 2.0
   64    69    72    77   1.63200 -1.0 2.0
   65    64    69    71   3.62500 -1.0 2.0
   65    64    69    72   3.62500 -1.0 2.0
   69    71    75    76   0.84100 -1.0 2.0
   69    72    77    78   0.08050  1.0 3.0
   69    72    77    79   0.08050  1.0 3.0
   69    72    77    80   0.08050  1.0 3.0
   71    54   -58    59   3.62500 -1.0 2.0
   71    54    58    61   3.62500 -1.0 2.0
   71    69    72    77   1.63200 -1.0 2.0
   72    69    71    54   3.62500 -1.0 2.0
   72    69    71    75   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    64   3.62500 -1.0 2.0
   61    66    70    33   0.56750  1.0 1.0
   61    66    70    33  -0.07550 -1.0 2.0
   61    66    70    33   0.20000  1.0 3.0
   61    66   -70    53   0.56750  1.0 1.0
   61    66   -70    53  -0.07550 -1.0 2.0
   61    66   -70    53   0.20000  1.0 3.0
   61    66    70    73   1.53400  1.0 1.0
   61    66    70    73  -0.09950 -1.0 2.0
   61    66    70    73   0.05700  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    70   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    70   0.15000  1.0 3.0
   66    70    73    74   0.03200  1.0 1.0
   66    70    73    74   0.33800 -1.0 2.0
   66    70    73    81  -0.35450  1.0 1.0
   66    70    73    81   0.44050 -1.0 2.0
   66    70    73    81   0.77100  1.0 3.0
   67    66    70    33   0.15000  1.0 3.0
   67    66    70    53   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   68    66    70    33   0.15000  1.0 3.0
   68    66    70    53   0.15000  1.0 3.0
   68    66    70    73   0.15000  1.0 3.0
   70    33   -37    39   0.09850  1.0 1.0
   70    33   -37    39   0.15250 -1.0 2.0
   70    33   -37    39  -0.50650  1.0 3.0
   70    33    37    41   0.09700  1.0 1.0
   70    33    37    41   0.15600 -1.0 2.0
   70    33    37    41  -0.50800  1.0 3.0
   70    33    38    42   0.06250  1.0 1.0
   70    33    38    42  -0.01100 -1.0 2.0
   70    33    38    42   0.28050  1.0 3.0
   70    53   -54    58   0.04150 -1.0 2.0
   70    53    54    71   0.04150 -1.0 2.0
   70    53   -55    81   0.56750  1.0 1.0
   70    53   -55    81  -0.07550 -1.0 2.0
   70    53   -55    81   0.20000  1.0 3.0
   70    53    55    56   0.15000  1.0 3.0
   70    53    55    57   0.15000  1.0 3.0
   70    73    81    82   0.28000  1.0 3.0
   70    73    81    83   0.28000  1.0 3.0
   70    73   -81    55  -0.35450  1.0 1.0
   70    73   -81    55   0.44050 -1.0 2.0
   70    73   -81    55   0.77100  1.0 3.0
   73    81   -55    53   1.53400  1.0 1.0
   73    81   -55    53  -0.09950 -1.0 2.0
   73    81   -55    53   0.05700  1.0 3.0
   73    81    55    56   0.15000  1.0 3.0
   73    81    55    57   0.15000  1.0 3.0
   74    73    81    82   0.20000  1.0 3.0
   74    73    81    83   0.20000  1.0 3.0
   74    73    81    55   0.03200  1.0 1.0
   74    73    81    55   0.33800 -1.0 2.0
   82    81    55    53   0.15000  1.0 3.0
   82    81    55    56   0.15000  1.0 3.0
   82    81    55    57   0.15000  1.0 3.0
   83    81    55    53   0.15000  1.0 3.0
   83    81    55    56   0.15000  1.0 3.0
   83    81    55    57   0.15000  1.0 3.0
   55    53    54    58   0.04150 -1.0 2.0
   55    53    54    71   0.04150 -1.0 2.0
   55    53    70    33   0.56750  1.0 1.0
   55    53    70    33  -0.07550 -1.0 2.0
   55    53    70    33   0.20000  1.0 3.0
   55    53    70    66   0.56750  1.0 1.0
   55    53    70    66  -0.07550 -1.0 2.0
   55    53    70    66   0.20000  1.0 3.0
   55    53   -70    73   1.53400  1.0 1.0
   55    53   -70    73  -0.09950 -1.0 2.0
   55    53   -70    73   0.05700  1.0 3.0
   41    37    39    40   7.00000 -1.0 2.0
   41    37    39    46   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    70    53   0.62750  1.0 1.0
   38    33    70    53  -0.30950 -1.0 2.0
   38    33    70    53   0.27300  1.0 3.0
   38    33    70    66   0.62750  1.0 1.0
   38    33    70    66  -0.30950 -1.0 2.0
   38    33    70    66   0.27300  1.0 3.0
   38    33    70    73   2.34900  1.0 1.0
   38    33    70    73  -0.83700 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    39   1.10000 -1.0 2.0
   46    40    39    37   1.10000 -1.0 2.0
   58    71    54    53   4.00000 -1.0 2.0
   59    61    58    54   4.00000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   69    65    64    59   1.10000 -1.0 2.0
   71    72    69    64   4.00000 -1.0 2.0
   69    75    71    54   4.00000 -1.0 2.0
END
