* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    229     415
    1     0 S   NP   _N1_     1    28.56432    95.95786   -22.86072
    2     1 S   H    _HN1     2     1.02950    76.14052    17.23145
    3     1 S   H    _H1_     3     1.02829    36.34373   164.98674
    4     1 S   H    _H2_     4     1.02783   100.65642   -89.24768
    5     1 S   CT   _CA1     5     1.50111   141.26025   122.66555
    6     5 S   HC   _HA1     6     1.09573   105.20671    84.47872
    7     5 S   CO3  _C1_     7     1.53788   112.44362   -35.76421
    8     7 S   O2Z  _O11     8     1.26369   115.00198   -42.92964
    9     7 S   O2Z  _O12     9     1.26239   114.94656   136.21774
   10     5 S   CT   _CB1    10     1.53086   107.42576  -157.54350
   11    10 S   HC   HB11    11     1.09831   109.37460   -49.91691
   12    10 S   HC   HB12    12     1.09813   110.44444    66.68811
   13    10 S   CT   _CG1    13     1.52987   112.60349  -170.91152
   14    13 S   HC   HG11    14     1.09585   110.60033   -65.24593
   15    13 S   HC   HG12    15     1.09669   109.81537    53.97940
   16    13 S   C    _CD1    16     1.51799   112.26818   174.42332
   17    16 S   O    _OE1    17     1.22731   123.30796     5.51306
   18    16 S   N    _N2_    18     1.38649   111.63820  -174.58861
   19    18 S   H    _HN2    19     1.01587   118.96561     1.63698
   20    18 S   CT1  _CA2    20     1.46174   123.37758   177.76848
   21    20 S   HC   _HA2    21     1.09724   109.31180     0.66175
   22    20 S   C    _C2_    22     1.53536   108.74669  -114.70848
   23    22 S   O    _O2_    23     1.23055   122.28442  -149.23379
   24    20 S   CT   _CB2    32     1.53438   111.59403   122.65339
   25    24 S   HC   HB21    33     1.09490   109.50967    55.30775
   26    24 S   HC   HB22    34     1.09333   109.82815   174.05581
   27    22 S   N    _N3_    24     1.38324   113.69800    38.33136
   28    27 S   H    _HN3    25     1.01592   119.57066    -3.52975
   29    24 S   S    _SG2    35     1.83296   111.12742   -64.90608
   30    27 S   CT   _CA3    26     1.45283   123.18774   177.01063
   31    30 S   HC   HA31    27     1.09550   107.53126   -64.00637
   32    30 S   HC   HA32    28     1.09557   107.95805    52.42298
   33    29 S   CT   _C23    36     1.88568   101.95067  -162.94587
   34    30 S   CO3  _C3_    29     1.52950   114.09129   174.41023
   35    34 S   O2Z  _O31    30     1.26376   116.06550    -0.45842
   36    34 S   O2Z  _O32    31     1.26429   114.41206   179.59362
   37    33 S   CA   _C11    37     1.56292   115.71828    59.62899
   38    33 S   CO4  _C20    58     1.54715   101.46778   -63.79160
   39    38 S   O    _O25    59     1.23171   122.27429    87.09553
   40    33 S   CT   _C22    70     1.53560   108.31313   179.35229
   41    40 S   HC   _H35    71     1.09728   110.94932   -57.34978
   42    40 S   HC   _H36    72     1.09865   111.23711  -175.16224
   43    37 S   CA   _C13    38     1.42078   124.85563    32.90172
   44    38 S   CA   _C8_    60     1.48921   119.18350   -88.75741
   45    43 S   CA   _C4_    39     1.41284   119.86700  -174.65031
   46    45 S   HA   _H30    40     1.08988   118.80510   176.46759
   47    43 S   CT   _C25    54     1.50760   125.61044     6.15176
   48    47 S   HC   _H40    55     1.09303   110.81403   -87.73757
   49    47 S   HC   _H41    56     1.09216   111.81763    36.77225
   50    47 S   HC   _H42    57     1.09703   110.81444   153.41600
   51    44 S   CA   _C5_    61     1.40500   118.21636   176.28401
   52    51 S   HA   _H31    62     1.08846   120.40998     2.29908
   53    45 S   CA   _C7_    41     1.39447   121.89736    -5.00829
   54    51 S   CA   _C12    63     1.40015   120.90203  -177.20656
   55    53 S   CA   _C9_    42     1.38873   119.59016    -2.06886
   56    54 S   CA   _C6_    64     1.39652   119.03759    -0.99387
   57    56 S   HA   _H32    65     1.08780   120.07722  -179.05560
   58    54 S   CT   _C24    75     1.49929   120.42705  -178.54492
   59    58 S   HC   _H37    76     1.09432   109.99070    87.28897
   60    58 S   HC   _H38    77     1.09511   110.97051  -152.23663
   61    58 S   HC   _H39    78     1.09510   110.88676   -33.22474
   62    37 S   CA   _C15    43     1.42938   118.97188  -152.40103
   63    55 S   CO4  _C19    46     1.48436   119.08215  -176.67628
   64    63 S   O    _O24    47     1.22540   121.92341   179.11618
   65    56 S   CA   _C14    66     1.39596   120.29659     0.89307
   66    62 S   OH   _O28    44     1.37745   117.34235    -8.31810
   67    66 S   HO   _H44    45     0.97315   109.96353   177.08718
   68    63 S   CM   _C17    48     1.47621   118.33371    -1.08966
   69    68 S   HC   _H34    49     1.08459   117.22216  -179.45035
   70    44 S   CA   _C10    67     1.39772   121.99313    -1.73810
   71    65 S   OH   _O27    73     1.36950   115.81298  -179.97202
   72    71 S   HO   _H43    74     0.97385   108.97570  -176.67298
   73    68 S   CM   _C16    50     1.33242   121.92710     0.50745
   74    73 S   HC   _H33    51     1.08428   121.09551  -179.98022
   75    70 S   CO4  _C21    68     1.47833   119.70621    -3.80107
   76    75 S   O    _O26    69     1.22722   120.83538   166.96931
   77    53 S   CO4  _C18    52     1.47751   118.88657  -179.77445
   78    77 S   O    _O23    53     1.22482   121.93160    -2.58392
  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  11   5   4   3
  17   2   1   1  20  13   4   9   4   3  11  10  12   4   5   2
   1   1  11   4  10   9  10  10   4   4   2   1   1   6   7   3
   5   1   1   5   3   4   2   1   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    62    38    39    44    75    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    45    55    62    66    47    38    39    44    51    70    75    76    40    41    42  
   35    36  
   36  
    0  
   43    45    46    53    55    62    66    67    63    47    48    49    50    38    39    44    75    40    41    42  
   39    44    51    52    54    65    70    75    40    41    42    43    62  
   44    51    70    40  
   41    42    43    44    62    65    70    75    76  
   42    70    75    76  
   70    75    76  
   45    46    53    55    62    66    77    47    48    49    50  
   51    52    54    56    65    70    75    76    71    58  
   46    53    55    62    63    73    77    78    47    48    49    50  
   53    55    77    47  
   48    49    50    53    62  
   49    50  
   50  
    0  
   52    54    56    57    65    70    75    58    59    60    61  
   54    56    70    58  
   55    62    66    63    64    68    73    74    77    78  
   56    57    65    70    71    58    59    60    61  
   62    66    67    63    64    68    69    73    77    78  
   57    65    70    75    71    72    58    59    60    61  
   65    70    71    58  
   59    60    61    65  
   60    61  
   61  
    0  
   66    67    63    64    68    77  
   64    68    69    73    74    77    66  
   68    69    73  
   70    75    76    71    72  
   67  
    0  
   69    73    74    77    78  
   73    74    77  
   75    76    71    72  
   72    75  
    0  
   74    77    78  
   77    78  
   76  
    0  
   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  -0.335000   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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    38   317.000  1.522
   33    40   268.000  1.529
   37    43   469.000  1.400
   37    62   469.000  1.400
   43    45   469.000  1.400
   43    47   317.000  1.510
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    55   469.000  1.400
   53    77   310.000  1.470
   55    62   469.000  1.400
   55    63   310.000  1.470
   62    66   450.000  1.364
   66    67   553.000  0.945
   63    64   570.000  1.229
   63    68   320.000  1.462
   68    69   340.000  1.080
   68    73   549.000  1.340
   73    74   340.000  1.080
   73    77   320.000  1.462
   77    78   570.000  1.229
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    39   570.000  1.229
   38    44   310.000  1.470
   44    51   469.000  1.400
   44    70   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    56   469.000  1.400
   54    58   317.000  1.510
   56    57   367.000  1.080
   56    65   469.000  1.400
   65    70   469.000  1.400
   65    71   450.000  1.364
   70    75   310.000  1.470
   75    76   570.000  1.229
   75    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   71    72   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    37    43    70.00000  120.00000
   33    37    62    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    44    65.00000  115.47100
   33    40    75    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    45    63.00000  120.00000
   37    43    47    70.00000  120.00000
   37    62    55    63.00000  120.00000
   37    62    66    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    53    63.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   45    53    55    63.00000  120.00000
   45    53    77    60.00000  119.52600
   53    45    46    35.00000  120.00000
   53    55    62    63.00000  120.00000
   53    55    63    60.00000  119.52600
   53    77    73    65.00000  117.02400
   53    77    78    75.00000  123.78400
   55    62    66    70.00000  120.00000
   55    63    64    75.00000  123.78400
   55    63    68    65.00000  117.02400
   62    37    43    63.00000  120.00000
   62    66    67    35.00000  113.00000
   63    55    62    60.00000  119.52600
   63    68    69    40.00000  117.72500
   63    68    73    65.00000  118.96000
   68    63    64    80.00000  123.72100
   68    73    74    35.00000  120.00000
   68    73    77    65.00000  118.96000
   73    68    69    35.00000  120.00000
   73    77    78    80.00000  123.72100
   77    53    55    60.00000  119.52600
   77    73    74    40.00000  117.72500
   47    43    45    70.00000  120.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    70.00000  110.93000
   38    44    51    60.00000  119.52600
   38    44    70    60.00000  119.52600
   44    38    39    75.00000  123.78400
   44    51    52    35.00000  120.00000
   44    51    54    63.00000  120.00000
   44    70    65    63.00000  120.00000
   44    70    75    60.00000  119.52600
   51    54    56    63.00000  120.00000
   51    54    58    70.00000  120.00000
   54    51    52    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    65    63.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   56    65    70    63.00000  120.00000
   56    65    71    70.00000  120.00000
   65    56    57    35.00000  120.00000
   65    70    75    60.00000  119.52600
   65    71    72    35.00000  113.00000
   70    44    51    63.00000  120.00000
   70    75    76    75.00000  123.78400
   70    75    40    65.00000  115.47100
   75    40    41    35.00000  109.50000
   75    40    42    35.00000  109.50000
   40    33    37    70.00000  112.17500
   40    33    38    63.00000  111.10000
   40    75    76    80.00000  120.40000
   42    40    41    33.00000  107.80000
   71    65    70    70.00000  120.00000
   58    54    56    70.00000  120.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    37    62  -0.16000  1.0 1.0
   29    33    37    62  -0.03200 -1.0 2.0
   29    33    37    62   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    44   0.65300  1.0 1.0
   29    33    38    44  -0.03850 -1.0 2.0
   29    33    38    44   0.33900  1.0 3.0
   29    33    40    75   0.56750  1.0 1.0
   29    33    40    75  -0.07550 -1.0 2.0
   29    33    40    75   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    45   3.62500 -1.0 2.0
   33    37    43    47   3.62500 -1.0 2.0
   33    37    62    55   3.62500 -1.0 2.0
   33    37    62    66   3.62500 -1.0 2.0
   33    38    44    51   2.26350  1.0 1.0
   33    38    44    51   0.76750 -1.0 2.0
   33    38    44    51   0.22500  1.0 3.0
   33    38    44    70   2.26350  1.0 1.0
   33    38    44    70   0.76750 -1.0 2.0
   33    38    44    70   0.22500  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    44   0.65300  1.0 1.0
   37    33    38    44  -0.03850 -1.0 2.0
   37    33    38    44   0.33900  1.0 3.0
   37    33    40    75   0.56750  1.0 1.0
   37    33    40    75  -0.07550 -1.0 2.0
   37    33    40    75   0.20000  1.0 3.0
   37    33    40    41   0.43200  1.0 3.0
   37    33    40    42   0.43200  1.0 3.0
   37    43    45    46   3.62500 -1.0 2.0
   37    43    45    53   3.62500 -1.0 2.0
   37    43    47    48   0.00000  1.0 1.0
   37    43    47    49   0.00000  1.0 1.0
   37    43    47    50   0.00000  1.0 1.0
   37    62    66    67   0.84100 -1.0 2.0
   43    37    62    55   3.62500 -1.0 2.0
   43    37    62    66   3.62500 -1.0 2.0
   43    45   -53    55   3.62500 -1.0 2.0
   43    45    53    77   3.62500 -1.0 2.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    49   0.00000  1.0 1.0
   45    43    47    50   0.00000  1.0 1.0
   45    53    55    62   3.62500 -1.0 2.0
   45    53    55    63   3.62500 -1.0 2.0
   45    53    77    73  -0.11500  1.0 1.0
   45    53    77    73   1.10450 -1.0 2.0
   45    53    77    73  -0.48050  1.0 3.0
   45    53    77    78   1.05000 -1.0 2.0
   46    45    53    55   3.62500 -1.0 2.0
   46    45    53    77   3.62500 -1.0 2.0
   53    55   -62    37   3.62500 -1.0 2.0
   53    55    62    66   3.62500 -1.0 2.0
   53    55    63    64   1.05000 -1.0 2.0
   53    55    63    68  -0.11500  1.0 1.0
   53    55    63    68   1.10450 -1.0 2.0
   53    55    63    68  -0.48050  1.0 3.0
   55    53    77    73  -0.11500  1.0 1.0
   55    53    77    73   1.10450 -1.0 2.0
   55    53    77    73  -0.48050  1.0 3.0
   55    53    77    78   1.05000 -1.0 2.0
   55    62    66    67   0.84100 -1.0 2.0
   55    63    68    69   1.64500 -1.0 2.0
   55    63   -68    73  -1.65800  1.0 1.0
   55    63   -68    73   0.77650 -1.0 2.0
   62    37   -43    45   3.62500 -1.0 2.0
   62    37    43    47   3.62500 -1.0 2.0
   62    55    63    64   1.05000 -1.0 2.0
   62    55    63    68  -0.11500  1.0 1.0
   62    55    63    68   1.10450 -1.0 2.0
   62    55    63    68  -0.48050  1.0 3.0
   63    55    62    37   3.62500 -1.0 2.0
   63    55    62    66   3.62500 -1.0 2.0
   63    68    73    74   7.00000 -1.0 2.0
   63    68    73    77   7.00000 -1.0 2.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    73   1.00000 -1.0 2.0
   68    73   -77    53  -1.65800  1.0 1.0
   68    73   -77    53   0.77650 -1.0 2.0
   68    73    77    78   1.00000 -1.0 2.0
   69    68    73    74   7.00000 -1.0 2.0
   69    68    73    77   7.00000 -1.0 2.0
   74    73    77    53   1.64500 -1.0 2.0
   74    73    77    78   0.00000  1.0 1.0
   77    53    55    62   3.62500 -1.0 2.0
   77    53   -55    63   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    53   3.62500 -1.0 2.0
   38    33    37    43   0.04300 -1.0 2.0
   38    33    37    62   0.04300 -1.0 2.0
   38    33    40    75   0.11950  1.0 1.0
   38    33    40    75   0.20300 -1.0 2.0
   38    33    40    75  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    44    51    52   3.62500 -1.0 2.0
   38    44    51    54   3.62500 -1.0 2.0
   38    44    70    65   3.62500 -1.0 2.0
   38    44   -70    75   3.62500 -1.0 2.0
   39    38    44    51   1.05000 -1.0 2.0
   39    38    44    70   1.05000 -1.0 2.0
   44    51    54    56   3.62500 -1.0 2.0
   44    51    54    58   3.62500 -1.0 2.0
   44    70    75    76   1.05000 -1.0 2.0
   44    70    75    40   2.26350  1.0 1.0
   44    70    75    40   0.76750 -1.0 2.0
   44    70    75    40   0.22500  1.0 3.0
   51    44    70    65   3.62500 -1.0 2.0
   51    44    70    75   3.62500 -1.0 2.0
   51    54    56    57   3.62500 -1.0 2.0
   51    54   -56    65   3.62500 -1.0 2.0
   51    54    58    59   0.00000  1.0 1.0
   51    54    58    60   0.00000  1.0 1.0
   51    54    58    61   0.00000  1.0 1.0
   52    51    54    56   3.62500 -1.0 2.0
   52    51    54    58   3.62500 -1.0 2.0
   54    56    65    70   3.62500 -1.0 2.0
   54    56    65    71   3.62500 -1.0 2.0
   56    54    58    59   0.00000  1.0 1.0
   56    54    58    60   0.00000  1.0 1.0
   56    54    58    61   0.00000  1.0 1.0
   56    65   -70    44   3.62500 -1.0 2.0
   56    65    70    75   3.62500 -1.0 2.0
   56    65    71    72   0.84100 -1.0 2.0
   57    56    65    70   3.62500 -1.0 2.0
   57    56    65    71   3.62500 -1.0 2.0
   65    70    75    76   1.05000 -1.0 2.0
   65    70    75    40   2.26350  1.0 1.0
   65    70    75    40   0.76750 -1.0 2.0
   65    70    75    40   0.22500  1.0 3.0
   70    44    51    52   3.62500 -1.0 2.0
   70    44   -51    54   3.62500 -1.0 2.0
   70    65    71    72   0.84100 -1.0 2.0
   70    75   -40    33   0.05850 -1.0 2.0
   70    75   -40    33   0.17250  1.0 3.0
   70    75    40    41   0.00000  1.0 1.0
   70    75    40    42   0.00000  1.0 1.0
   76    75    40    33   0.30150 -1.0 2.0
   76    75    40    41   0.00000  1.0 1.0
   76    75    40    42   0.00000  1.0 1.0
   40    33    37    43   0.04150 -1.0 2.0
   40    33    37    62   0.04150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    44   0.05850 -1.0 2.0
   40    33   -38    44   0.17250  1.0 3.0
   71    65    70    44   3.62500 -1.0 2.0
   71    65    70    75   3.62500 -1.0 2.0
   58    54    56    57   3.62500 -1.0 2.0
   58    54    56    65   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   43    62    37    33   4.00000 -1.0 2.0
   45    47    43    37   4.00000 -1.0 2.0
   53    46    45    43   1.10000 -1.0 2.0
   55    77    53    45   4.00000 -1.0 2.0
   62    63    55    53   4.00000 -1.0 2.0
   55    66    62    37   4.00000 -1.0 2.0
   55    68    63    64  10.50000 -1.0 2.0
   63    69    68    73   1.10000 -1.0 2.0
   77    74    73    68   1.10000 -1.0 2.0
   53    73    77    78  10.50000 -1.0 2.0
   33    44    38    39  10.50000 -1.0 2.0
   51    70    44    38   4.00000 -1.0 2.0
   54    52    51    44   1.10000 -1.0 2.0
   56    58    54    51   4.00000 -1.0 2.0
   65    57    56    54   1.10000 -1.0 2.0
   70    71    65    56   4.00000 -1.0 2.0
   65    75    70    44   4.00000 -1.0 2.0
   70    40    75    76  10.50000 -1.0 2.0
END
