* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    154    243     451
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02103    97.72791   -54.62907
    3     1 S   H    _H1_     3     1.02089    81.46483    53.24693
    4     1 S   H    _H2_     4     1.02122    35.33555  -166.16427
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.83665    97.58054  -178.15581
   34    33 S   HC   _H5_    37     1.09938   104.62872    32.92698
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C19    38     1.51306   109.56010   -79.97307
   39    38 S   HC   _H18    39     1.08713   119.62782    27.39176
   40    38 S   CM   _C18    40     1.34136   120.93899  -155.48691
   41    40 S   CM   _C17    41     1.44427   121.21352    -0.52971
   42    41 S   HC   _H17    42     1.08527   118.63473  -166.04445
   43    40 S   OH   _O33    80     1.37756   121.37317  -177.84951
   44    43 S   HO   _H19    81     0.96398   110.20662    -2.58755
   45    41 S   CM   _C16    43     1.34136   121.01539    14.63387
   46    45 S   HC   _H16    44     1.08719   118.73109   178.73762
   47    33 S   CT   _C15    45     1.57043   114.88731   151.02764
   48    47 S   CA   _C11    46     1.52488   116.57862    38.91346
   49    47 S   CT   _C14    73     1.58359   109.97298   -73.76529
   50    49 S   HC   _H14    74     1.09333   109.95046    34.58815
   51    49 S   HC   _H15    75     1.09693   112.15360   -84.11010
   52    48 S   CR3  _C12    47     1.39556   110.07678  -135.07654
   53    52 S   CA   _C7_    48     1.38387   123.81462   174.65841
   54    53 S   CA   _C8_    49     1.39416   116.98343     3.64728
   55    54 S   HA   _H13    50     1.08721   120.04223  -179.31443
   56    53 S   CT   _C6_    63     1.50466   118.93202  -170.68179
   57    56 S   HC   _H11    64     1.09732   107.82430   106.57523
   58    56 S   HC   _H12    65     1.09697   109.57246  -137.04462
   59    54 S   CA   _C9_    51     1.40834   120.22821    -0.23821
   60    56 S   CT   _C5_    66     1.54195   114.54045   -14.65397
   61    60 S   HC   _H9_    67     1.09469   111.85559   162.52490
   62    60 S   HC   _H10    68     1.09654   110.78330   -76.76791
   63    48 S   CA   _C10    52     1.38447   130.91698    44.43380
   64    59 S   OS   _O35    58     1.36568   118.65015   179.39964
   65    60 S   NP   _N4_    69     1.53156   112.11779    41.35391
   66    65 S   H    _H3_    70     1.02956   106.25271  -174.46884
   67    63 S   OS   _O34    53     1.35686   122.27206     3.38715
   68    64 S   CT   _C22    59     1.42522   116.92839    88.78878
   69    68 S   HC   _H23    60     1.09282   109.50581   179.96044
   70    68 S   HC   _H24    61     1.09320   109.47203    59.25814
   71    68 S   HC   _H25    62     1.09231   108.97667   -60.37203
   72    52 S   CT   _C13    71     1.48783   112.03989    -4.46923
   73    72 S   HC   _H4_    72     1.09784   109.36342   -91.61564
   74    65 S   CT   _C4_    76     1.50488   112.45468    70.45903
   75    74 S   HC   _H6_    77     1.09158   107.81225   -64.58689
   76    74 S   HC   _H7_    78     1.09186   107.75573    55.46334
   77    74 S   HC   _H8_    79     1.09134   107.81386   175.41396
   78    67 S   CT   _C21    54     1.42845   117.23138   120.02737
   79    78 S   HC   _H20    55     1.09250   109.54975   180.00000
   80    78 S   HC   _H21    56     1.09277   109.52884    59.17374
   81    78 S   HC   _H22    57     1.09291   108.97301   -60.39798
  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   9   5   4   3
  16   7   2   1   1  10   4   7   8   4   2   1   9   3  12  15
  11   5   4  15  14  11   4  10   5   4   8  10   5   4   8   5
   7   6   4   3   2   1   1   5   1   3   2   1   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    47    48    52    63    72    49    50    51    43  
   38    39    40    45    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    45    47    48    49    43    44  
   40    41    47    43  
   41    42    45    46    47    43    44  
   42    45    46    47    48    49    43    44  
   45    46    47    43  
   44    45  
    0  
   46    47    48    52    63    72    49    50    51  
   47    48    49  
   48    52    53    59    63    67    65    72    73    49    50    51  
   52    53    54    59    63    67    78    64    56    65    72    73    49    50    51  
   50    51    74    52    53    60    63    65    66    72    73  
   51    52    65    72    73  
   52    65    72    73  
   53    54    55    59    63    67    56    57    58    60    65    66    72    73    74  
   54    55    59    63    64    56    57    58    60    61    62    65    72    73  
   55    59    63    67    64    68    56    57    58    60    72  
   59    63    64    56  
   57    58    60    61    62    65    66    72    74    59  
   58    60    61    62    65  
   60    61    62    65  
   63    67    78    64    68    69    70    71  
   61    62    65    66    72    73    74    75    76    77  
   62    65    66    72    74  
   65    66    72    74  
   67    78    79    80    81    64    68    72  
   68    69    70    71    67  
   66    72    73    74    75    76    77  
   72    73    74    75    76    77  
   78    79    80    81  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   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   0.107500   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   66   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    47   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    43   510.000  1.338
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   317.000  1.510
   47    49   268.000  1.529
   48    52   490.000  1.398
   48    63   469.000  1.400
   52    53   490.000  1.398
   52    72   317.000  1.510
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    63   469.000  1.400
   59    64   450.000  1.364
   63    67   450.000  1.364
   67    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   64    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   367.000  1.471
   65    66   434.000  1.010
   65    72   367.000  1.471
   65    74   367.000  1.471
   72    73   340.000  1.090
   72    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   43    44   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    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    45    70.00000  112.02700
   33    47    48    70.00000  112.17500
   33    47    49    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    43    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    70.00000  123.01800
   40    43    44    70.00000  107.45700
   41    45    46    35.00000  120.00000
   41    45    47    70.00000  124.00000
   45    41    42    35.00000  120.00000
   45    47    48    70.00000  112.99600
   45    47    49    70.00000  112.02700
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    45    46    35.00000  117.00000
   47    48    52    80.00000  105.07000
   47    48    63    70.00000  120.00000
   47    49    72    58.35000  112.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   48    52    53    60.00000  130.80000
   48    52    72    70.00000  120.00000
   48    63    59    63.00000  120.00000
   48    63    67    70.00000  120.00000
   52    53    54    70.00000  112.88000
   52    53    56    80.00000  105.07000
   52    72    65    75.00000  110.83300
   52    72    73    35.00000  109.50000
   52    72    49    70.00000  112.17500
   53    54    55    35.00000  120.00000
   53    54    59    63.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    60    70.00000  112.17500
   54    59    63    63.00000  120.00000
   54    59    64    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    63    67    70.00000  120.00000
   59    64    68    75.00000  111.00000
   63    48    52    70.00000  112.88000
   63    67    78    75.00000  111.00000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   64    59    63    70.00000  120.00000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   56    53    54    70.00000  120.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    65    80.00000  111.20000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    65    66    35.00000  109.50000
   60    65    72    75.00000  113.01200
   60    65    74    75.00000  113.01200
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   65    72    73    35.00000  109.50000
   65    72    49    80.00000  111.20000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   72    52    53    70.00000  120.00000
   72    65    66    35.00000  109.50000
   72    49    50    37.50000  110.70000
   72    49    51    37.50000  110.70000
   49    47    48    70.00000  112.17500
   49    72    73    37.50000  110.70000
   51    49    50    33.00000  107.80000
   74    65    66    35.00000  109.50000
   74    65    72    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   43    40    41    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    43   7.00000 -1.0 2.0
   33    47    48    52   0.04150 -1.0 2.0
   33    47    48    63   0.04150 -1.0 2.0
   33    47    49    72   0.56750  1.0 1.0
   33    47    49    72  -0.07550 -1.0 2.0
   33    47    49    72   0.20000  1.0 3.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.43200  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    45   0.31000  1.0 1.0
   38    33    47    45   0.14700 -1.0 2.0
   38    33    47    45   0.07550  1.0 3.0
   38    33    47    48   0.21200  1.0 1.0
   38    33    47    48   0.16900 -1.0 2.0
   38    33    47    48  -1.15100  1.0 3.0
   38    33    47    49   0.34400  1.0 1.0
   38    33    47    49   0.09450 -1.0 2.0
   38    33    47    49   0.11100  1.0 3.0
   38    40    41    42  -0.18600  1.0 3.0
   38    40   -41    45   0.28850  1.0 1.0
   38    40   -41    45   2.61350 -1.0 2.0
   38    40   -41    45   0.78400  1.0 3.0
   38    40    43    44  -0.66100  1.0 1.0
   38    40    43    44   1.20850 -1.0 2.0
   38    40    43    44  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    43   7.00000 -1.0 2.0
   40    41    45    46   7.00000 -1.0 2.0
   40    41    45    47   7.00000 -1.0 2.0
   41    40    43    44  -0.66100  1.0 1.0
   41    40    43    44   1.20850 -1.0 2.0
   41    40    43    44  -0.36000  1.0 3.0
   41    45   -47    33   0.09850  1.0 1.0
   41    45   -47    33   0.15250 -1.0 2.0
   41    45   -47    33  -0.50650  1.0 3.0
   41    45    47    48   1.44450  1.0 1.0
   41    45    47    48   0.06600 -1.0 2.0
   41    45    47    48   0.29250  1.0 3.0
   41    45    47    49   0.09850  1.0 1.0
   41    45    47    49   0.15250 -1.0 2.0
   41    45    47    49  -0.50650  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    47   7.00000 -1.0 2.0
   45    47    48    52   0.18050 -1.0 2.0
   45    47    48    63   0.18050 -1.0 2.0
   45    47    49    72   0.34400  1.0 1.0
   45    47    49    72   0.09450 -1.0 2.0
   45    47    49    72   0.11100  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    48    52    53   3.62500 -1.0 2.0
   47    48   -52    72   3.62500 -1.0 2.0
   47    48    63    59   3.62500 -1.0 2.0
   47    48    63    67   3.62500 -1.0 2.0
   48    47   -49    72  -0.03700  1.0 1.0
   48    47   -49    72   0.37200 -1.0 2.0
   48    47   -49    72  -0.47300  1.0 3.0
   48    47    49    50   0.43200  1.0 3.0
   48    47    49    51   0.43200  1.0 3.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52    53    56   3.62500 -1.0 2.0
   48    52    72    65  -0.46400 -1.0 2.0
   48    52    72    73   0.00000  1.0 1.0
   48    52   -72    49   0.04150 -1.0 2.0
   48    63    67    78   1.63200 -1.0 2.0
   52    48    63    59   3.62500 -1.0 2.0
   52    48    63    67   3.62500 -1.0 2.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53   -54    59   3.62500 -1.0 2.0
   52    53    56    57   0.00000  1.0 1.0
   52    53    56    58   0.00000  1.0 1.0
   52    53    56    60   0.04150 -1.0 2.0
   52    72   -49    47  -0.03700  1.0 1.0
   52    72   -49    47   0.37200 -1.0 2.0
   52    72   -49    47  -0.47300  1.0 3.0
   52    72    49    50   0.43200  1.0 3.0
   52    72    49    51   0.43200  1.0 3.0
   53    52    72    65  -0.46400 -1.0 2.0
   53    52    72    73   0.00000  1.0 1.0
   53    52    72    49   0.04150 -1.0 2.0
   53    54    59    63   3.62500 -1.0 2.0
   53    54    59    64   3.62500 -1.0 2.0
   53    56    60    61   0.43200  1.0 3.0
   53    56    60    62   0.43200  1.0 3.0
   53    56   -60    65   1.24050  1.0 1.0
   53    56   -60    65   0.48100 -1.0 2.0
   53    56   -60    65   1.08150  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    60   0.04150 -1.0 2.0
   54    59   -63    48   3.62500 -1.0 2.0
   54    59    63    67   3.62500 -1.0 2.0
   54    59    64    68   1.63200 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    63    67    78   1.63200 -1.0 2.0
   59    64    68    69   0.08050  1.0 3.0
   59    64    68    70   0.08050  1.0 3.0
   59    64    68    71   0.08050  1.0 3.0
   63    48   -52    53   3.62500 -1.0 2.0
   63    48    52    72   3.62500 -1.0 2.0
   63    59    64    68   1.63200 -1.0 2.0
   63    67    78    79   0.08050  1.0 3.0
   63    67    78    80   0.08050  1.0 3.0
   63    67    78    81   0.08050  1.0 3.0
   64    59    63    48   3.62500 -1.0 2.0
   64    59    63    67   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    59   3.62500 -1.0 2.0
   56    60    65    66   0.17350  1.0 3.0
   56    60    65    72   0.47100  1.0 1.0
   56    60    65    74   0.47100  1.0 1.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    65   0.19200  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    65   0.19200  1.0 3.0
   60    65   -72    52   0.03550  1.0 1.0
   60    65   -72    52   0.09800 -1.0 2.0
   60    65    72    73   0.15000  1.0 3.0
   60    65    72    49   0.47100  1.0 1.0
   60    65    74    75   0.15000  1.0 3.0
   60    65    74    76   0.15000  1.0 3.0
   60    65    74    77   0.15000  1.0 3.0
   61    60    65    66   0.13050  1.0 3.0
   61    60    65    72   0.15000  1.0 3.0
   61    60    65    74   0.15000  1.0 3.0
   62    60    65    66   0.13050  1.0 3.0
   62    60    65    72   0.15000  1.0 3.0
   62    60    65    74   0.15000  1.0 3.0
   65    72    49    47   1.36600  1.0 1.0
   65    72    49    47  -0.11450 -1.0 2.0
   65    72    49    47   0.24250  1.0 3.0
   65    72    49    50   0.19200  1.0 3.0
   65    72    49    51   0.19200  1.0 3.0
   66    65    72    52   0.17350  1.0 3.0
   66    65    72    73   0.13050  1.0 3.0
   66    65    72    49   0.17350  1.0 3.0
   66    65    74    75   0.13050  1.0 3.0
   66    65    74    76   0.13050  1.0 3.0
   66    65    74    77   0.13050  1.0 3.0
   72    52    53    54   3.62500 -1.0 2.0
   72    52   -53    56   3.62500 -1.0 2.0
   72    65    74    75   0.15000  1.0 3.0
   72    65    74    76   0.15000  1.0 3.0
   72    65    74    77   0.15000  1.0 3.0
   73    72    49    47   0.15000  1.0 3.0
   73    72    49    50   0.15000  1.0 3.0
   73    72    49    51   0.15000  1.0 3.0
   49    47   -48    52   0.04150 -1.0 2.0
   49    47    48    63   0.04150 -1.0 2.0
   74    65    72    52   0.03550  1.0 1.0
   74    65    72    52   0.09800 -1.0 2.0
   74    65    72    73   0.15000  1.0 3.0
   74    65    72    49   0.47100  1.0 1.0
   43    40    41    42   0.00000  1.0 1.0
   43    40    41    45   0.50950  1.0 1.0
   43    40    41    45   0.56650 -1.0 2.0
   43    40    41    45   0.34050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    43    40    38   1.10000 -1.0 2.0
   40    42    41    45   1.10000 -1.0 2.0
   47    46    45    41   1.10000 -1.0 2.0
   52    63    48    47   4.00000 -1.0 2.0
   53    72    52    48   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   63    64    59    54   4.00000 -1.0 2.0
   59    67    63    48   4.00000 -1.0 2.0
END
