* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    140    210     405
    1     0 S   NP   _N1_     1    29.01003    93.69904   -24.29522
    2     1 S   H    _HN1     2     1.02812    22.17944  -169.27809
    3     1 S   H    _H1_     3     1.02782   111.12275   -83.49419
    4     1 S   H    _H2_     4     1.03069    85.44987    24.01782
    5     1 S   CT   _CA1     5     1.50196   125.32933   136.27895
    6     5 S   HC   _HA1     6     1.09595   104.96846    80.20982
    7     5 S   CO3  _C1_     7     1.53874   113.01543   -39.46043
    8     7 S   O2Z  _O11     8     1.26386   115.29819   -37.71777
    9     7 S   O2Z  _O12     9     1.26277   114.86476   141.35399
   10     5 S   CT   _CB1    10     1.53064   107.25638  -162.28003
   11    10 S   HC   HB11    11     1.09814   108.99895   -50.38558
   12    10 S   HC   HB12    12     1.09821   110.43894    65.99971
   13    10 S   CT   _CG1    13     1.53059   112.92621  -171.68166
   14    13 S   HC   HG11    14     1.09594   110.19895   -67.57508
   15    13 S   HC   HG12    15     1.09643   110.18951    51.66777
   16    13 S   C    _CD1    16     1.51830   112.26222   171.56229
   17    16 S   O    _OE1    17     1.22698   123.15301   -10.22353
   18    16 S   N    _N2_    18     1.38629   111.90027   170.84240
   19    18 S   H    _HN2    19     1.01568   119.13140     1.19518
   20    18 S   CT1  _CA2    20     1.46133   123.16008  -179.21740
   21    20 S   HC   _HA2    21     1.09536   109.29711    -8.05437
   22    20 S   C    _C2_    22     1.53403   108.73549  -123.10190
   23    22 S   O    _O2_    23     1.23029   122.19287  -146.13705
   24    20 S   CT   _CB2    32     1.53367   111.61878   114.41636
   25    24 S   HC   HB21    33     1.09683   109.30731    60.99755
   26    24 S   HC   HB22    34     1.09482   111.19015   177.77033
   27    22 S   N    _N3_    24     1.38500   113.44626    41.42471
   28    27 S   H    _HN3    25     1.01521   118.93510    -0.67348
   29    24 S   S    _SG2    35     1.83052   114.70867   -58.10561
   30    27 S   CT   _CA3    26     1.45420   123.32066   174.80642
   31    30 S   HC   HA31    27     1.09530   109.17705    26.84572
   32    30 S   HC   HA32    28     1.09496   107.18558   143.82382
   33    29 S   CT   _C12    36     1.84760   101.12135   -68.31525
   34    33 S   HC   _H3_    37     1.09388   105.91878    53.39026
   35    30 S   CO3  _C3_    29     1.52907   112.95568   -96.55799
   36    35 S   O2Z  _O31    30     1.26410   115.30875   -48.62219
   37    35 S   O2Z  _O32    31     1.26339   115.06361   132.25800
   38    33 S   CA   _C7_    38     1.51983   112.16589   -65.99477
   39    33 S   CM   _C13    58     1.51574   107.97048   169.44013
   40    39 S   HC   _H13    59     1.08763   115.65198    46.67631
   41    38 S   CA   _C6_    39     1.40741   119.13236   115.69440
   42    41 S   HA   _H7_    40     1.08664   118.17307     0.55778
   43    39 S   CMA  _C14    60     1.35332   125.37902  -132.22050
   44    43 S   OM   _O37    61     1.25941   129.97477    -3.25618
   45    41 S   CA   _C5_    41     1.39706   121.00140  -179.30903
   46    43 S   NE   _N4_    62     1.38251   122.46385   176.44345
   47    46 S   H    _H14    63     1.01574   112.69118   176.39277
   48    45 S   CA   _C10    42     1.39922   118.61618    -0.57096
   49    45 S   OS   _O33    53     1.37055   125.17280   179.52276
   50    46 S   CT   _C15    64     1.44930   129.74046    -6.81811
   51    50 S   HC   _H15    65     1.09549   108.83824    93.81235
   52    50 S   HC   _H16    66     1.09516   111.48621   -24.47980
   53    48 S   CA   _C9_    43     1.40108   121.66626     0.27625
   54    48 S   OH   _O34    51     1.37393   118.63176  -179.81655
   55    54 S   HO   _H9_    52     0.97361   107.28936   179.80719
   56    49 S   CT   _C4_    54     1.42271   117.08854    -3.15294
   57    56 S   HC   _H4_    55     1.09428   107.73291  -178.09320
   58    56 S   HC   _H5_    56     1.09493   111.07538    64.23555
   59    56 S   HC   _H6_    57     1.09518   111.21913   -60.33497
   60    50 S   CT   _C16    67     1.53344   110.45749  -146.03603
   61    60 S   HC   _H17    68     1.09726   109.38965  -174.96367
   62    60 S   HC   _H18    69     1.09750   109.72267   -58.92150
   63    38 S   CA   _C8_    44     1.40681   121.77990   -64.11166
   64    63 S   HA   _H8_    45     1.08602   118.46003    -0.23903
   65    53 S   OS   _O35    46     1.37114   115.56387   179.95154
   66    60 S   CA   _C17    70     1.51180   113.03802    64.22561
   67    65 S   CT   _C11    47     1.42275   116.94784   179.51543
   68    67 S   HC   _H10    48     1.09428   107.73259  -179.62885
   69    67 S   HC   _H11    49     1.09499   111.12265    62.65553
   70    67 S   HC   _H12    50     1.09502   111.15307   -61.89416
   71    66 S   CA   _C18    71     1.40247   120.42506  -111.64057
   72    71 S   HA   _H19    72     1.08714   120.38623    -0.76285
   73    71 S   CA   _C19    73     1.39571   120.53386   178.54545
   74    73 S   HA   _H20    74     1.08598   119.83475  -179.65850
   75    73 S   CA   _C20    75     1.39103   119.58623    -0.25101
   76    75 S   CA   _C21    76     1.39233   120.79144     0.52115
   77    76 S   HA   _H21    77     1.08618   120.95517  -179.98022
   78    75 S   OH   _O36    80     1.36657   118.28749  -179.21192
   79    78 S   HO   _H23    81     0.97733   108.13870   173.19966
   80    66 S   CA   _C22    78     1.40297   120.57310    67.24280
   81    80 S   HA   _H22    79     1.08717   120.31945     1.15910
  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  12   8   3   9   4   7   3  11   8   4   9
   6   8   5   4   9   3   1   3   2   1   1   9   4   3   3   1
   4   9   3   2   1   1   8   4   7   3   6   5   3   2   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    63    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    53    63    64    39    40    43    44    46  
   38    41    63    39    40    43  
   36    37  
   37  
    0  
   41    42    45    48    53    63    64    65    49    39    40    43  
   40    43    44    46    47    50    41    63  
   43    44    46  
   42    45    48    53    63    64    54    49    56  
   45    48    63    49  
   44    46    47    50    51    52    60  
   46    47    50  
   48    53    63    65    54    55    49    56    57    58    59  
   47    50    51    52    60    61    62    66  
   50    51    52    60  
   53    63    64    65    67    54    55    49    56  
   56    57    58    59    53    54  
   51    52    60    61    62    66    71    80  
   52    60    61    62    66  
   60    61    62    66  
   63    64    65    67    68    69    70    54    55  
   55    63    65  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    62    66    71    72    73    76    80    81  
   62    66    71    80  
   66    71    80  
   64    65    67  
   65  
   67    68    69    70  
   71    72    73    74    75    76    77    80    81  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    80    81    78  
   73    74    75    80  
   74    75    76    77    80    78    79  
   75    76    78  
   76    77    80    81    78    79  
   77    80    81    78    79  
   80    81    78  
   79    80  
    0  
   81  
    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  -0.335000   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
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   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    63   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    48   469.000  1.400
   45    49   450.000  1.364
   48    53   469.000  1.400
   48    54   450.000  1.364
   53    63   469.000  1.400
   53    65   450.000  1.364
   63    64   367.000  1.080
   65    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   553.000  0.945
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   415.000  1.382
   46    47   434.000  1.010
   46    50   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.510
   66    71   469.000  1.400
   66    80   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   367.000  1.080
   78    79   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    63    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    63    53    63.00000  120.00000
   38    63    64    35.00000  120.00000
   41    45    48    63.00000  120.00000
   41    45    49    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    53    63.00000  120.00000
   45    48    54    70.00000  120.00000
   45    49    56    75.00000  111.00000
   48    53    63    63.00000  120.00000
   48    53    65    70.00000  120.00000
   48    54    55    35.00000  113.00000
   53    63    64    35.00000  120.00000
   53    65    67    75.00000  111.00000
   63    38    41    63.00000  120.00000
   65    53    63    70.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    48    53    70.00000  120.00000
   49    45    48    70.00000  120.00000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    46    47    50.00000  121.48000
   43    46    50    50.00000  121.00000
   46    43    44   105.00000  113.92000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    60    80.00000  111.61500
   50    46    47    35.00000  112.50000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    66    70.00000  112.17500
   52    50    51    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    52    37.50000  110.70000
   60    66    71    70.00000  120.00000
   60    66    80    70.00000  120.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    71    72    35.00000  120.00000
   66    71    73    63.00000  120.00000
   66    80    76    63.00000  120.00000
   66    80    81    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    78    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    80    63.00000  120.00000
   75    78    79    35.00000  113.00000
   76    80    81    35.00000  120.00000
   80    66    71    63.00000  120.00000
   80    76    77    35.00000  120.00000
   78    75    76    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    63  -0.16000  1.0 1.0
   29    33    38    63  -0.03200 -1.0 2.0
   29    33    38    63   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    63    53   3.62500 -1.0 2.0
   33    38    63    64   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    63   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    48   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   41    38    63    53   3.62500 -1.0 2.0
   41    38    63    64   3.62500 -1.0 2.0
   41    45   -48    53   3.62500 -1.0 2.0
   41    45    48    54   3.62500 -1.0 2.0
   41    45    49    56   1.63200 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    48    53    63   3.62500 -1.0 2.0
   45    48    53    65   3.62500 -1.0 2.0
   45    48    54    55   0.84100 -1.0 2.0
   45    49    56    57   0.08050  1.0 3.0
   45    49    56    58   0.08050  1.0 3.0
   45    49    56    59   0.08050  1.0 3.0
   48    45    49    56   1.63200 -1.0 2.0
   48    53   -63    38   3.62500 -1.0 2.0
   48    53    63    64   3.62500 -1.0 2.0
   48    53    65    67   1.63200 -1.0 2.0
   53    48    54    55   0.84100 -1.0 2.0
   53    65    67    68   0.08050  1.0 3.0
   53    65    67    69   0.08050  1.0 3.0
   53    65    67    70   0.08050  1.0 3.0
   63    38    41    42   3.62500 -1.0 2.0
   63    38   -41    45   3.62500 -1.0 2.0
   63    53    65    67   1.63200 -1.0 2.0
   65    53    63    38   3.62500 -1.0 2.0
   65    53    63    64   3.62500 -1.0 2.0
   54    48    53    63   3.62500 -1.0 2.0
   54    48    53    65   3.62500 -1.0 2.0
   49    45    48    53   3.62500 -1.0 2.0
   49    45    48    54   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    63   0.18050 -1.0 2.0
   39    43    46    47   1.00000 -1.0 2.0
   39    43    46    50  -0.54700  1.0 1.0
   39    43    46    50   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    52   0.00000  1.0 1.0
   43    46    50    60   0.25450  1.0 1.0
   43    46    50    60  -0.61700 -1.0 2.0
   43    46    50    60  -0.23550  1.0 3.0
   44    43    46    47   1.00000 -1.0 2.0
   44    43    46    50   1.00000 -1.0 2.0
   46    50    60    61   0.22950  1.0 3.0
   46    50    60    62   0.22950  1.0 3.0
   46    50    60    66   0.08550  1.0 1.0
   46    50    60    66   1.07500 -1.0 2.0
   46    50    60    66  -0.10950  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    50    60   0.00000  1.0 1.0
   50    60    66    71   0.04150 -1.0 2.0
   50    60    66    80   0.04150 -1.0 2.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    62   0.15000  1.0 3.0
   51    50    60    66   0.43200  1.0 3.0
   52    50    60    61   0.15000  1.0 3.0
   52    50    60    62   0.15000  1.0 3.0
   52    50    60    66   0.43200  1.0 3.0
   60    66    71    72   3.62500 -1.0 2.0
   60    66    71    73   3.62500 -1.0 2.0
   60    66    80    76   3.62500 -1.0 2.0
   60    66    80    81   3.62500 -1.0 2.0
   61    60    66    71   0.00000  1.0 1.0
   61    60    66    80   0.00000  1.0 1.0
   62    60    66    71   0.00000  1.0 1.0
   62    60    66    80   0.00000  1.0 1.0
   66    71    73    74   3.62500 -1.0 2.0
   66    71    73    75   3.62500 -1.0 2.0
   71    66    80    76   3.62500 -1.0 2.0
   71    66    80    81   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    78   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75    76    80   3.62500 -1.0 2.0
   73    75    78    79   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76   -80    66   3.62500 -1.0 2.0
   75    76    80    81   3.62500 -1.0 2.0
   76    75    78    79   0.84100 -1.0 2.0
   77    76    80    66   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   80    66    71    72   3.62500 -1.0 2.0
   80    66   -71    73   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    80   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    63    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    49    45    41   4.00000 -1.0 2.0
   53    54    48    45   4.00000 -1.0 2.0
   63    65    53    48   4.00000 -1.0 2.0
   53    64    63    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   46    44    43    39  15.00000 -1.0 2.0
   47    43    46    50   1.00000 -1.0 2.0
   71    80    66    60   4.00000 -1.0 2.0
   73    72    71    66   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   80    77    76    75   1.10000 -1.0 2.0
   76    81    80    66   1.10000 -1.0 2.0
END
