* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    153    253     459
    1     0 S   NP   _N1_     1    29.02305    97.39858   -20.95148
    2     1 S   H    _HN1     2     1.02836    48.91595   160.26802
    3     1 S   H    _H1_     3     1.02780    86.30184   -82.04852
    4     1 S   H    _H2_     4     1.02957    73.27763    28.33481
    5     1 S   CT   _CA1     5     1.50120   157.47944   131.39761
    6     5 S   HC   _HA1     6     1.09575   105.22113    82.06276
    7     5 S   CO3  _C1_     7     1.53778   112.36114   -38.14415
    8     7 S   O2Z  _O11     8     1.26362   115.00316   -44.61921
    9     7 S   O2Z  _O12     9     1.26236   114.91329   134.49313
   10     5 S   CT   _CB1    10     1.53087   107.42764  -160.04471
   11    10 S   HC   HB11    11     1.09828   109.32122   -50.69580
   12    10 S   HC   HB12    12     1.09817   110.43255    65.84991
   13    10 S   CT   _CG1    13     1.53022   112.67982  -171.77118
   14    13 S   HC   HG11    14     1.09593   110.49275   -64.36852
   15    13 S   HC   HG12    15     1.09656   109.94172    54.86808
   16    13 S   C    _CD1    16     1.51820   112.26528   175.22308
   17    16 S   O    _OE1    17     1.22738   123.25199     0.43656
   18    16 S   N    _N2_    18     1.38642   111.70131  -179.46698
   19    18 S   H    _HN2    19     1.01587   119.10709     0.80186
   20    18 S   CT1  _CA2    20     1.46131   123.30247   179.40160
   21    20 S   HC   _HA2    21     1.09749   109.29451    -4.70944
   22    20 S   C    _C2_    22     1.53517   108.94865  -120.19593
   23    22 S   O    _O2_    23     1.23053   122.07082  -148.92406
   24    20 S   CT   _CB2    32     1.53474   111.69760   117.09685
   25    24 S   HC   HB21    33     1.09558   109.69472    56.03091
   26    24 S   HC   HB22    34     1.09366   109.62367   174.69481
   27    22 S   N    _N3_    24     1.38448   113.61026    38.78269
   28    27 S   H    _HN3    25     1.01496   118.96669    -0.99190
   29    24 S   S    _SG2    35     1.83742   111.28825   -64.81518
   30    27 S   CT   _CA3    26     1.45444   123.45737   174.61144
   31    30 S   HC   HA31    27     1.09521   109.28273    24.29387
   32    30 S   HC   HA32    28     1.09495   107.13940   141.32920
   33    29 S   CT   _C20    36     1.88396   102.02614  -170.64439
   34    33 S   OM   _O38    37     1.32327   106.38050   -55.34357
   35    30 S   CO3  _C3_    29     1.52921   112.97562   -99.18078
   36    35 S   O2Z  _O31    30     1.26413   115.35301   -45.78068
   37    35 S   O2Z  _O32    31     1.26344   115.02007   135.08536
   38    33 S   CT   _C21    38     1.55797   109.27432  -171.09298
   39    38 S   HC   _H5_    39     1.10327   108.75723    68.33093
   40    33 S   CT   _C19    70     1.55883   113.06761    63.72339
   41    40 S   HC   _H4_    71     1.09734   110.20243   -77.77991
   42    38 S   CO4  _C22    40     1.53412   113.81149  -175.86734
   43    42 S   O    _O36    41     1.23754   118.89337  -166.03089
   44    40 S   NP   _N5_    72     1.50904   110.36694    35.08742
   45    44 S   H    _H16    73     1.03064   111.31255    65.59396
   46    44 S   H    _H17    74     1.02791   110.71765   -53.04903
   47    44 S   H    _H18    75     1.02741   111.99384  -173.34807
   48    38 S   C    _C23    78     1.53395   113.40039   -51.26156
   49    48 S   O    _O37    79     1.22931   123.09032   -65.05131
   50    42 S   CT   _C16    42     1.55042   119.54360    17.42417
   51    48 S   N    _N4_    80     1.37502   114.13088   115.78646
   52    51 S   H    _H14    81     1.01436   122.69348    -1.02316
   53    51 S   H    _H15    82     1.01375   120.41618   179.51181
   54    50 S   CMA  _C15    43     1.55119   116.37171   -99.99969
   55    54 S   OM   _O35    44     1.26660   111.26905   -38.39218
   56    50 S   OH   _O39    76     1.45047   102.89668   144.38314
   57    56 S   HO   _H19    77     0.97482   106.02901    71.06492
   58    54 S   CM   _C7_    45     1.36197   118.49021   142.71837
   59    58 S   CM   _C6_    46     1.46037   124.71523     1.76536
   60    59 S   CM   _C5_    47     1.35418   121.28244  -163.69606
   61    59 S   CT   _C18    65     1.51256   114.60522    16.53855
   62    61 S   HC   _H12    66     1.09763   109.19918    73.47802
   63    61 S   HC   _H13    67     1.09468   112.56776  -168.58934
   64    60 S   CA   _C10    48     1.49980   119.55636     8.21583
   65    60 S   CT   _C4_    61     1.50675   121.00575  -168.48609
   66    65 S   HC   _H6_    62     1.09392   111.19509   -91.93976
   67    65 S   HC   _H7_    63     1.09552   111.86319    28.59271
   68    65 S   HC   _H8_    64     1.09512   111.52215   144.83484
   69    50 S   CT   _C17    68     1.54303   109.36282    32.63422
   70    69 S   HC   _H3_    69     1.10074   106.94003    69.68186
   71    64 S   CA   _C9_    49     1.41607   118.08474   -23.83224
   72    58 S   CO4  _C8_    50     1.50047   119.58896   176.78375
   73    72 S   O    _O34    51     1.22461   124.09874   -30.96295
   74    71 S   CA   _C14    52     1.40737   121.33906  -174.42146
   75    74 S   CA   _C13    53     1.38713   120.51718    -2.11350
   76    75 S   HA   _H10    54     1.08631   120.67601  -179.50623
   77    74 S   OH   _O33    59     1.36936   123.66301   179.13047
   78    77 S   HO   _H11    60     0.97425   108.91690    -2.65233
   79    75 S   CA   _C12    55     1.38739   119.34279    -1.71760
   80    79 S   HA   _H9_    56     1.08811   118.60810  -176.91815
   81    64 S   CA   _C11    57     1.41589   125.36511   156.35014
   82    81 S   Cl   Cl1_    58     1.73454   124.17408    -9.90826
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  15   7  16   8  13   5   7   3   2   1   5
   3  12   2   1   1  12   5   5   1  12  15  15   7   3   2  14
   5   2   1   1   1   1  10   5   1   7   7   4   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    69    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    61    69    70    40    41    44    45    46    47    48    49    51  
   38    39    42    69    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    50    54    69    40    41    44    56    48    49    51    52    53  
   42    43    50    40    48    49    51  
   41    44    45    46    47    56    48    42    50    54    59    61    62    63    69    70  
   44    45    46    47    50    61    69    70  
   43    50    54    55    58    61    69    70    56    57    48    49    51  
   50    54    69    56    48  
   45    46    47    50    61    69    70  
   46    47    69  
   47    69  
   69  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    72    61    62    63    69    70    56    57  
   52    53  
   53  
    0  
   55    58    59    60    71    72    73    61    69    70    56    57  
   58    59    72    69    56  
   57    58    61    69    70  
   69  
   59    60    64    71    72    73    74    65    61    62    63    69  
   60    64    71    72    73    81    65    66    67    68    61    62    63    69    70  
   64    71    72    74    79    81    82    65    66    67    68    61    62    63    69  
   62    63    69    70    64    65    72  
   63    69    70  
   69    70  
   71    72    73    74    75    79    80    81    82    77    65    66    67    68  
   66    67    68    71    81  
   67    68  
   68  
    0  
   70  
    0  
   72    73    74    75    76    79    81    82    77    78  
   73    74    75    81    77  
   74  
   75    76    79    80    81    77    78  
   76    79    80    81    82    77    78  
   79    80    81    77  
   78    79  
    0  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    48   317.000  1.522
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    54   270.000  1.512
   50    69   268.000  1.529
   50    56   320.000  1.410
   54    55   745.000  1.250
   54    58   465.000  1.376
   58    59   380.000  1.444
   58    72   320.000  1.462
   59    60   549.000  1.340
   59    61   317.000  1.510
   60    64   320.000  1.460
   60    65   317.000  1.510
   64    71   469.000  1.400
   64    81   469.000  1.400
   71    72   310.000  1.470
   71    74   469.000  1.400
   72    73   570.000  1.229
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   300.000  1.725
   77    78   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    47   434.000  1.010
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    48    63.00000  111.10000
   33    40    69    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    50    70.00000  116.00000
   38    48    49    80.00000  120.40000
   38    48    51    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    50    54    70.00000  109.06800
   42    50    69    63.00000  111.10000
   42    50    56    90.00000  109.61100
   50    42    43    80.00000  120.40000
   50    54    55    85.00000  112.85300
   50    54    58    65.00000  122.18000
   50    69    61    58.35000  112.70000
   50    69    70    37.50000  110.70000
   50    69    40    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    70.00000  117.34000
   54    58    72    60.00000  125.92000
   58    54    55    65.00000  137.10300
   58    59    60    70.00000  123.01800
   58    59    61    70.00000  124.00000
   58    72    71    65.00000  117.02400
   58    72    73    80.00000  123.72100
   59    60    64    60.00000  123.20500
   59    60    65    70.00000  124.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    69    70.00000  112.02700
   60    64    71    60.00000  120.93500
   60    64    81    60.00000  120.93500
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   64    71    72    60.00000  119.52600
   64    71    74    63.00000  120.00000
   64    81    79    63.00000  120.00000
   64    81    82    75.00000  120.00000
   71    72    73    75.00000  123.78400
   71    74    75    63.00000  120.00000
   71    74    77    70.00000  120.00000
   72    58    59    65.00000  118.96000
   74    71    72    60.00000  119.52600
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    35.00000  120.00000
   75    79    81    63.00000  120.00000
   79    75    76    35.00000  120.00000
   79    81    82    75.00000  120.00000
   81    64    71    63.00000  120.00000
   81    79    80    35.00000  120.00000
   77    74    75    70.00000  120.00000
   65    60    64    65.00000  118.87000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   61    59    60    70.00000  124.00000
   61    69    70    37.50000  110.70000
   61    69    40    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    50    54    70.00000  112.02700
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    40    41    37.50000  110.70000
   69    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    69    70    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   44    40    41    35.00000  109.50000
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   56    50    54    90.00000  110.39200
   56    50    69    50.00000  109.50000
   48    38    39    35.00000  109.50000
   48    38    42    70.00000  107.85200
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    50   0.60050  1.0 1.0
   33    38    42    50   0.05600 -1.0 2.0
   33    38    42    50   0.26150  1.0 3.0
   33    38    48    49   0.30150 -1.0 2.0
   33    38    48    51   1.39750  1.0 1.0
   33    38    48    51  -0.07950 -1.0 2.0
   33    38    48    51  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    46   0.17350  1.0 3.0
   33    40    44    47   0.17350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    48  -0.09450  1.0 1.0
   34    33    38    48  -1.12950 -1.0 2.0
   34    33    38    48   0.54000  1.0 3.0
   34    33    40    69   0.62750  1.0 1.0
   34    33    40    69  -0.30950 -1.0 2.0
   34    33    40    69   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    69   0.56750  1.0 1.0
   38    33    40    69  -0.07550 -1.0 2.0
   38    33    40    69   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    50    54   0.65300  1.0 1.0
   38    42    50    54  -0.03850 -1.0 2.0
   38    42    50    54   0.33900  1.0 3.0
   38    42   -50    69   0.60050  1.0 1.0
   38    42   -50    69   0.05600 -1.0 2.0
   38    42   -50    69   0.26150  1.0 3.0
   38    42    50    56   0.55300  1.0 1.0
   38    42    50    56   1.25850 -1.0 2.0
   38    42    50    56  -0.23600  1.0 3.0
   38    48    51    52   2.45000 -1.0 2.0
   38    48    51    53   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   0.00000  1.0 1.0
   39    38    48    49   0.00000  1.0 1.0
   39    38    48    51   0.00000  1.0 1.0
   42    38    48    49   0.30150 -1.0 2.0
   42    38    48    51   0.00000  1.0 1.0
   42    50    54    55   0.09700  1.0 1.0
   42    50    54    55   0.15600 -1.0 2.0
   42    50    54    55  -0.50800  1.0 3.0
   42    50    54    58  -0.51250  1.0 1.0
   42    50    54    58  -0.88800 -1.0 2.0
   42    50    54    58   0.08850  1.0 3.0
   42    50    69    61  -0.95700  1.0 1.0
   42    50    69    61  -0.18200 -1.0 2.0
   42    50    69    61   0.29450  1.0 3.0
   42    50    69    70  -0.11250  1.0 3.0
   42    50    69    40  -0.95700  1.0 1.0
   42    50    69    40  -0.18200 -1.0 2.0
   42    50    69    40   0.29450  1.0 3.0
   42    50    56    57   0.91850  1.0 1.0
   42    50    56    57   0.57950  1.0 3.0
   43    42    50    54   0.30150 -1.0 2.0
   43    42    50    69   0.30150 -1.0 2.0
   43    42    50    56   0.30150 -1.0 2.0
   50    54    58    59   7.00000 -1.0 2.0
   50    54    58    72   7.00000 -1.0 2.0
   50    69   -40    33   0.56750  1.0 1.0
   50    69   -40    33  -0.07550 -1.0 2.0
   50    69   -40    33   0.20000  1.0 3.0
   50    69    40    41   0.15000  1.0 3.0
   50    69    40    44   1.36600  1.0 1.0
   50    69    40    44  -0.11450 -1.0 2.0
   50    69    40    44   0.24250  1.0 3.0
   54    50    69    61   0.34400  1.0 1.0
   54    50    69    61   0.09450 -1.0 2.0
   54    50    69    61   0.11100  1.0 3.0
   54    50    69    70   0.15000  1.0 3.0
   54    50    69    40   0.34400  1.0 1.0
   54    50    69    40   0.09450 -1.0 2.0
   54    50    69    40   0.11100  1.0 3.0
   54    50    56    57  -0.07800  1.0 1.0
   54    50    56    57  -0.21500 -1.0 2.0
   54    50    56    57  -0.03150  1.0 3.0
   54    58    59    60   0.28850  1.0 1.0
   54    58    59    60   2.61350 -1.0 2.0
   54    58    59    60   0.78400  1.0 3.0
   54    58   -59    61  -0.18600  1.0 3.0
   54    58    72    71  -1.65800  1.0 1.0
   54    58    72    71   0.77650 -1.0 2.0
   54    58    72    73   1.00000 -1.0 2.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    72   7.00000 -1.0 2.0
   58    59    60    64   7.00000 -1.0 2.0
   58    59    60    65   7.00000 -1.0 2.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    61    63   0.00000  1.0 1.0
   58    59    61    69   0.98200  1.0 1.0
   58    59    61    69  -0.11900 -1.0 2.0
   58    59    61    69   0.24250  1.0 3.0
   59    58    72    71  -1.65800  1.0 1.0
   59    58    72    71   0.77650 -1.0 2.0
   59    58    72    73   1.00000 -1.0 2.0
   59    60   -64    71   0.15800  1.0 1.0
   59    60   -64    71   1.85350 -1.0 2.0
   59    60   -64    71  -0.48700  1.0 3.0
   59    60    64    81   0.15800  1.0 1.0
   59    60    64    81   1.85350 -1.0 2.0
   59    60    64    81  -0.48700  1.0 3.0
   59    60    65    66   0.00000  1.0 1.0
   59    60    65    67   0.00000  1.0 1.0
   59    60    65    68   0.00000  1.0 1.0
   59    61   -69    50   0.34400  1.0 1.0
   59    61   -69    50   0.09450 -1.0 2.0
   59    61   -69    50   0.11100  1.0 3.0
   59    61    69    70   0.15000  1.0 3.0
   59    61    69    40   0.34400  1.0 1.0
   59    61    69    40   0.09450 -1.0 2.0
   59    61    69    40   0.11100  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    69   0.09850  1.0 1.0
   60    59    61    69   0.15250 -1.0 2.0
   60    59    61    69  -0.50650  1.0 3.0
   60    64    71    72   3.62500 -1.0 2.0
   60    64    71    74   3.62500 -1.0 2.0
   60    64    81    79   3.62500 -1.0 2.0
   60    64    81    82   3.62500 -1.0 2.0
   64    60    65    66   0.77000  1.0 3.0
   64    60    65    67   0.77000  1.0 3.0
   64    60    65    68   0.77000  1.0 3.0
   64    71   -72    58  -0.11500  1.0 1.0
   64    71   -72    58   1.10450 -1.0 2.0
   64    71   -72    58  -0.48050  1.0 3.0
   64    71    72    73   1.05000 -1.0 2.0
   64    71    74    75   3.62500 -1.0 2.0
   64    71    74    77   3.62500 -1.0 2.0
   71    64    81    79   3.62500 -1.0 2.0
   71    64    81    82   3.62500 -1.0 2.0
   71    74    75    76   3.62500 -1.0 2.0
   71    74   -75    79   3.62500 -1.0 2.0
   71    74    77    78   0.84100 -1.0 2.0
   72    58   -59    60  -0.18600  1.0 3.0
   72    58    59    61   1.08500 -1.0 2.0
   72    71    74    75   3.62500 -1.0 2.0
   72    71    74    77   3.62500 -1.0 2.0
   74    71    72    58  -0.11500  1.0 1.0
   74    71    72    58   1.10450 -1.0 2.0
   74    71    72    58  -0.48050  1.0 3.0
   74    71    72    73   1.05000 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   74    75    79    81   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   75    79   -81    64   3.62500 -1.0 2.0
   75    79    81    82   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    81   3.62500 -1.0 2.0
   80    79    81    64   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    64    71    72   3.62500 -1.0 2.0
   81    64   -71    74   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   65    60    64    71  -0.02500  1.0 1.0
   65    60    64    71  -0.32150 -1.0 2.0
   65    60    64    71  -0.01500  1.0 3.0
   65    60    64    81  -0.02500  1.0 1.0
   65    60    64    81  -0.32150 -1.0 2.0
   65    60    64    81  -0.01500  1.0 3.0
   61    59    60    64   7.00000 -1.0 2.0
   61    59    60    65   7.00000 -1.0 2.0
   61    69    40    33   0.56750  1.0 1.0
   61    69    40    33  -0.07550 -1.0 2.0
   61    69    40    33   0.20000  1.0 3.0
   61    69    40    41   0.15000  1.0 3.0
   61    69    40    44   1.36600  1.0 1.0
   61    69    40    44  -0.11450 -1.0 2.0
   61    69    40    44   0.24250  1.0 3.0
   62    61    69    50   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    40   0.15000  1.0 3.0
   63    61    69    50   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    40   0.15000  1.0 3.0
   69    50    54    55   0.09700  1.0 1.0
   69    50    54    55   0.15600 -1.0 2.0
   69    50    54    55  -0.50800  1.0 3.0
   69    50   -54    58   0.09850  1.0 1.0
   69    50   -54    58   0.15250 -1.0 2.0
   69    50   -54    58  -0.50650  1.0 3.0
   69    50    56    57  -0.11600  1.0 1.0
   69    50    56    57  -0.09450 -1.0 2.0
   69    50    56    57   0.21250  1.0 3.0
   69    40    44    45   0.17350  1.0 3.0
   69    40    44    46   0.17350  1.0 3.0
   69    40    44    47   0.17350  1.0 3.0
   70    69    40    33   0.15000  1.0 3.0
   70    69    40    41   0.15000  1.0 3.0
   70    69    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    48  -0.95700  1.0 1.0
   40    33    38    48  -0.18200 -1.0 2.0
   40    33    38    48   0.29450  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    46   0.13050  1.0 3.0
   41    40    44    47   0.13050  1.0 3.0
   56    50    54    55   0.09700  1.0 1.0
   56    50    54    55   0.15600 -1.0 2.0
   56    50    54    55  -0.50800  1.0 3.0
   56    50    54    58   0.67800  1.0 1.0
   56    50    54    58   0.47050 -1.0 2.0
   56    50    54    58  -0.62500  1.0 3.0
   56    50    69    61   0.86500  1.0 1.0
   56    50    69    61  -0.17500 -1.0 2.0
   56    50    69    61   0.20800  1.0 3.0
   56    50    69    70   0.23400  1.0 3.0
   56    50    69    40   0.86500  1.0 1.0
   56    50    69    40  -0.17500 -1.0 2.0
   56    50    69    40   0.20800  1.0 3.0
   48    38    42    43   0.30150 -1.0 2.0
   48    38    42    50   0.65300  1.0 1.0
   48    38    42    50  -0.03850 -1.0 2.0
   48    38    42    50   0.33900  1.0 3.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    50    42    43  10.50000 -1.0 2.0
   50    55    54    58   1.10000 -1.0 2.0
   59    72    58    54   1.10000 -1.0 2.0
   58    61    59    60   1.10000 -1.0 2.0
   64    65    60    59   1.10000 -1.0 2.0
   71    81    64    60   4.00000 -1.0 2.0
   72    74    71    64   4.00000 -1.0 2.0
   58    71    72    73  10.50000 -1.0 2.0
   75    77    74    71   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   81    80    79    75   1.10000 -1.0 2.0
   79    82    81    64   4.00000 -1.0 2.0
   38    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
