* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    145    218     423
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02068    51.50439    94.48577
    3     1 S   H    _H1_     3     1.02097    60.74784  -109.30383
    4     1 S   H    _H2_     4     1.02037   106.35362    -6.69510
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   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   _C11    36     1.87509    96.43153  -178.15136
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.53933   107.28485    60.02712
   38    37 S   CM   _C13    38     1.34948   121.71178  -108.01237
   39    37 S   CT   _C7_    55     1.53052   118.08020    75.45923
   40    39 S   HC   _H3_    56     1.09373   111.02172   162.24241
   41    38 S   CM   _C14    39     1.44677   122.92791     0.37534
   42    38 S   OH   _O36    53     1.38515   121.06852  -179.55063
   43    42 S   HO   _H19    54     0.96240   109.73051    -0.07133
   44    39 S   CT   _C8_    57     1.53099   111.32647    47.19190
   45    44 S   HC   _H9_    58     1.09790   110.61383  -171.28981
   46    44 S   HC   _H10    59     1.09867   108.93918    73.09502
   47    39 S   CM   _C5_    73     1.50269   112.72851   -80.24110
   48    41 S   CM   _C15    40     1.34161   122.70432    -3.28509
   49    41 S   OS   _O35    48     1.38090   113.69461   177.37512
   50    44 S   CT   _C9_    60     1.52699   113.38236   -48.39450
   51    50 S   HC   _H11    61     1.09902   108.22069   176.94175
   52    50 S   HC   _H12    62     1.09729   108.80382   -68.72141
   53    47 S   CM   _C6_    74     1.34123   121.92929   119.01785
   54    53 S   HC   _H7_    75     1.08483   121.37103  -179.97202
   55    53 S   HC   _H8_    76     1.08479   121.33548     0.00000
   56    47 S   CT   _C4_    77     1.49993   116.14940   -60.95888
   57    56 S   HC   _H4_    78     1.09534   110.27040   -89.94975
   58    56 S   HC   _H5_    79     1.09526   110.29871    29.82063
   59    56 S   HC   _H6_    80     1.09522   112.13922   149.93239
   60    33 S   CO4  _C16    41     1.55825   102.11333   -58.41473
   61    60 S   O    _O33    42     1.23376   121.95484   -67.80001
   62    48 S   OS   _O34    43     1.37743   124.75409  -178.65462
   63    49 S   CT   _C18    49     1.40561   112.40899   -90.66115
   64    63 S   HC   _H16    50     1.09274   109.46419  -180.00000
   65    63 S   HC   _H17    51     1.09319   109.53453    59.26932
   66    63 S   HC   _H18    52     1.09174   109.00533   -60.41644
   67    33 S   CT   _C10    63     1.58473   112.51781  -177.78283
   68    62 S   CT   _C17    44     1.40758   112.64846    90.05601
   69    68 S   HC   _H13    45     1.09353   109.51030  -179.98022
   70    68 S   HC   _H14    46     1.09228   109.55291    59.20373
   71    68 S   HC   _H15    47     1.09288   108.98791   -60.44305
   72    67 S   CM   _C20    64     1.51994   109.89539   167.51609
   73    72 S   HC   _H23    65     1.08647   117.14812     1.58301
   74    67 S   CT   _C19    69     1.54969   114.97961    48.33521
   75    74 S   HC   _H20    70     1.08115   108.68242   -58.54397
   76    74 S   HC   _H21    71     1.08116   108.69451  -178.51787
   77    74 S   HC   _H22    72     1.08132   108.67969    61.44888
   78    72 S   CM   _C21    66     1.33736   124.04668  -178.43240
   79    78 S   HC   _H24    67     1.08450   120.47180  -179.98022
   80    78 S   HC   _H25    68     1.08446   121.51810     0.07402
  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
  23   2   1   1  20  13  19   7  12   3   1  11   6   5   8  10
   6  11   4   3   6   2   1   3   2   1   1   6   2   4   3   2
   1   1   9   3   2   1   1   8   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    67    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    48    60    61    39    50    67    72    74  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    48    60    61    62    42    39    40    44    50    51    52    67    72    73    78    74    75    76    77    47  
   35    36  
   36  
    0  
   38    41    48    60    61    49    42    43    39    40    44    45    46    50    67    72    74    47    53    56  
   41    48    60    62    49    63    42    43    39    40    44    67    47  
   40    44    45    46    50    51    52    67    47    53    54    55    56    57    58    59    41    42    60  
   44    45    46    50    47    53    56  
   48    60    61    62    68    49    63    64    65    66    42    43  
   43    48    49  
    0  
   45    46    50    51    52    67    72    74    47    53    56  
   46    50    51    52    67    47  
   50    51    52    67    47  
   53    54    55    56    57    58    59    50  
   60    61    62    68    69    70    71    49    63    67  
   63    64    65    66    60    62  
   51    52    67    72    73    78    74    75    76    77    60  
   52    67    72    74  
   67    72    74  
   54    55    56    57    58    59  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    0  
   61    62    68    67    72    74  
   62    67  
   68    69    70    71  
   64    65    66  
   65    66  
   66  
    0  
   72    73    78    79    80    74    75    76    77  
   69    70    71  
   70    71  
   71  
    0  
   73    78    79    80    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80  
   80  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    60   317.000  1.522
   33    67   268.000  1.529
   37    38   549.000  1.340
   37    39   317.000  1.510
   38    41   380.000  1.444
   38    42   510.000  1.338
   41    48   549.000  1.340
   41    49   440.000  1.360
   48    60   320.000  1.462
   48    62   440.000  1.360
   60    61   570.000  1.229
   62    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   49    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   553.000  0.945
   39    40   340.000  1.090
   39    44   268.000  1.529
   39    47   317.000  1.510
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    67   268.000  1.529
   67    72   317.000  1.510
   67    74   268.000  1.529
   72    73   340.000  1.080
   72    78   549.000  1.340
   78    79   340.000  1.080
   78    80   340.000  1.080
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   47    53   549.000  1.340
   47    56   317.000  1.510
   53    54   340.000  1.080
   53    55   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    60    75.00000  110.18000
   29    33    67    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    39    65.00000  117.92700
   33    60    48    65.00000  118.62400
   33    60    61    80.00000  120.40000
   33    67    50    58.35000  112.70000
   33    67    72    70.00000  112.02700
   33    67    74    58.35000  112.70000
   37    38    41    70.00000  123.01800
   37    38    42    80.00000  121.38400
   37    39    40    35.00000  109.50000
   37    39    44    70.00000  112.02700
   37    39    47    70.00000  110.12100
   38    41    48    70.00000  123.01800
   38    41    49    80.00000  120.01400
   38    42    43    70.00000  107.45700
   41    48    60    65.00000  118.96000
   41    48    62    80.00000  120.01400
   41    49    63    90.00000  111.18400
   48    60    61    80.00000  123.72100
   48    62    68    90.00000  111.18400
   60    33    37    70.00000  109.06800
   62    48    60    85.00000  116.28000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    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
   49    41    48    80.00000  120.01400
   49    63    64    35.00000  109.50000
   49    63    65    35.00000  109.50000
   49    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    38    41    80.00000  121.38400
   39    37    38    70.00000  124.00000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    50    58.35000  112.70000
   39    47    53    70.00000  124.00000
   39    47    56    65.00000  117.92700
   44    39    40    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    67    58.35000  112.70000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    67    72    70.00000  112.02700
   50    67    74    58.35000  112.70000
   52    50    51    33.00000  107.80000
   67    33    37    70.00000  112.02700
   67    33    60    63.00000  111.10000
   67    50    51    37.50000  110.70000
   67    50    52    37.50000  110.70000
   67    72    73    35.00000  117.00000
   67    72    78    70.00000  124.00000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   72    78    79    35.00000  120.00000
   72    78    80    35.00000  120.00000
   78    72    73    35.00000  120.00000
   80    78    79    35.00000  117.00000
   74    67    72    70.00000  112.02700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   47    39    40    35.00000  109.50000
   47    39    44    70.00000  112.02700
   47    53    54    35.00000  120.00000
   47    53    55    35.00000  120.00000
   47    56    57    35.00000  109.50000
   47    56    58    35.00000  109.50000
   47    56    59    35.00000  109.50000
   55    53    54    35.00000  117.00000
   56    47    53    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    67   0.01700  1.0 1.0
   24    29    33    67  -0.23550 -1.0 2.0
   24    29    33    67   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    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    39   0.30250  1.0 1.0
   29    33    37    39  -0.14950 -1.0 2.0
   29    33    37    39   0.36900  1.0 3.0
   29    33    60    48   0.65300  1.0 1.0
   29    33    60    48  -0.03850 -1.0 2.0
   29    33    60    48   0.33900  1.0 3.0
   29    33    60    61   0.30150 -1.0 2.0
   29    33    67    50   0.44750  1.0 1.0
   29    33    67    50  -0.17800 -1.0 2.0
   29    33    67    50   0.20200  1.0 3.0
   29    33    67    72   0.56750  1.0 1.0
   29    33    67    72  -0.07550 -1.0 2.0
   29    33    67    72   0.20000  1.0 3.0
   29    33    67    74   0.44750  1.0 1.0
   29    33    67    74  -0.17800 -1.0 2.0
   29    33    67    74   0.20200  1.0 3.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    39    40   0.34800  1.0 3.0
   33    37    39    44   0.46850  1.0 1.0
   33    37    39    44   0.08550 -1.0 2.0
   33    37    39    44   0.09800  1.0 3.0
   33    37    39    47   0.09700  1.0 1.0
   33    37    39    47   0.15600 -1.0 2.0
   33    37    39    47  -0.50800  1.0 3.0
   33    67    72    73   0.00000  1.0 1.0
   33    67    72    78   0.09850  1.0 1.0
   33    67    72    78   0.15250 -1.0 2.0
   33    67    72    78  -0.50650  1.0 3.0
   33    67    74    75   0.15000  1.0 3.0
   33    67    74    76   0.15000  1.0 3.0
   33    67    74    77   0.15000  1.0 3.0
   37    33    60    48   0.65300  1.0 1.0
   37    33    60    48  -0.03850 -1.0 2.0
   37    33    60    48   0.33900  1.0 3.0
   37    33    60    61   0.30150 -1.0 2.0
   37    33    67    50   0.34400  1.0 1.0
   37    33    67    50   0.09450 -1.0 2.0
   37    33    67    50   0.11100  1.0 3.0
   37    33    67    72   0.31000  1.0 1.0
   37    33    67    72   0.14700 -1.0 2.0
   37    33    67    72   0.07550  1.0 3.0
   37    33    67    74   0.34400  1.0 1.0
   37    33    67    74   0.09450 -1.0 2.0
   37    33    67    74   0.11100  1.0 3.0
   37    38   -41    48   0.28850  1.0 1.0
   37    38   -41    48   2.61350 -1.0 2.0
   37    38   -41    48   0.78400  1.0 3.0
   37    38    41    49  -0.51250  1.0 1.0
   37    38    41    49   1.23350 -1.0 2.0
   37    38    42    43  -0.66100  1.0 1.0
   37    38    42    43   1.20850 -1.0 2.0
   37    38    42    43  -0.36000  1.0 3.0
   37    39    44    45   0.15000  1.0 3.0
   37    39    44    46   0.15000  1.0 3.0
   37    39   -44    50   0.34400  1.0 1.0
   37    39   -44    50   0.09450 -1.0 2.0
   37    39   -44    50   0.11100  1.0 3.0
   37    39    47    53  -0.28300  1.0 1.0
   37    39    47    53   0.26700 -1.0 2.0
   37    39    47    53  -0.63300  1.0 3.0
   37    39    47    56   0.09700  1.0 1.0
   37    39    47    56   0.15600 -1.0 2.0
   37    39    47    56  -0.50800  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    44   0.09850  1.0 1.0
   38    37    39    44   0.15250 -1.0 2.0
   38    37    39    44  -0.50650  1.0 3.0
   38    37    39    47  -0.28300  1.0 1.0
   38    37    39    47   0.26700 -1.0 2.0
   38    37    39    47  -0.63300  1.0 3.0
   38    41    48    60   7.00000 -1.0 2.0
   38    41    48    62   7.00000 -1.0 2.0
   38    41    49    63  -2.26850  1.0 1.0
   38    41    49    63   3.39050 -1.0 2.0
   41    38    42    43  -0.66100  1.0 1.0
   41    38    42    43   1.20850 -1.0 2.0
   41    38    42    43  -0.36000  1.0 3.0
   41    48   -60    33  -0.33500  1.0 1.0
   41    48   -60    33   1.06600 -1.0 2.0
   41    48   -60    33  -0.14000  1.0 3.0
   41    48    60    61   1.00000 -1.0 2.0
   41    48    62    68  -2.26850  1.0 1.0
   41    48    62    68   3.39050 -1.0 2.0
   41    49    63    64   0.08050  1.0 3.0
   41    49    63    65   0.08050  1.0 3.0
   41    49    63    66   0.08050  1.0 3.0
   48    41    49    63  -2.26850  1.0 1.0
   48    41    49    63   3.39050 -1.0 2.0
   48    62    68    69   0.08050  1.0 3.0
   48    62    68    70   0.08050  1.0 3.0
   48    62    68    71   0.08050  1.0 3.0
   60    33   -37    38  -0.51250  1.0 1.0
   60    33   -37    38  -0.88800 -1.0 2.0
   60    33   -37    38   0.08850  1.0 3.0
   60    33    37    39   0.17250  1.0 1.0
   60    33    37    39  -0.04100 -1.0 2.0
   60    33    37    39  -0.33850  1.0 3.0
   60    33    67    50  -0.95700  1.0 1.0
   60    33    67    50  -0.18200 -1.0 2.0
   60    33    67    50   0.29450  1.0 3.0
   60    33    67    72  -0.98800  1.0 1.0
   60    33    67    72   0.48800 -1.0 2.0
   60    33    67    72   0.76800  1.0 3.0
   60    33    67    74  -0.95700  1.0 1.0
   60    33    67    74  -0.18200 -1.0 2.0
   60    33    67    74   0.29450  1.0 3.0
   60    48    62    68   0.15100 -1.0 2.0
   62    48    60    33   0.32450 -1.0 2.0
   62    48    60    33   0.17400  1.0 3.0
   62    48    60    61  -0.11900  1.0 1.0
   62    48    60    61   0.76850 -1.0 2.0
   62    48    60    61   0.14100  1.0 3.0
   49    41    48    60   7.00000 -1.0 2.0
   49    41    48    62   7.00000 -1.0 2.0
   42    38    41    48   0.50950  1.0 1.0
   42    38    41    48   0.56650 -1.0 2.0
   42    38    41    48   0.34050  1.0 3.0
   42    38    41    49   1.08500 -1.0 2.0
   39    37    38    41   7.00000 -1.0 2.0
   39    37    38    42   7.00000 -1.0 2.0
   39    44    50    51   0.15000  1.0 3.0
   39    44    50    52   0.15000  1.0 3.0
   39    44    50    67   0.56750  1.0 1.0
   39    44    50    67  -0.07550 -1.0 2.0
   39    44    50    67   0.20000  1.0 3.0
   39    47    53    54   7.00000 -1.0 2.0
   39    47    53    55   7.00000 -1.0 2.0
   39    47    56    57   0.34800  1.0 3.0
   39    47    56    58   0.34800  1.0 3.0
   39    47    56    59   0.34800  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    50   0.15000  1.0 3.0
   40    39    47    53   0.00000  1.0 1.0
   40    39    47    56   0.34800  1.0 3.0
   44    39    47    53   0.09850  1.0 1.0
   44    39    47    53   0.15250 -1.0 2.0
   44    39    47    53  -0.50650  1.0 3.0
   44    39    47    56   0.46850  1.0 1.0
   44    39    47    56   0.08550 -1.0 2.0
   44    39    47    56   0.09800  1.0 3.0
   44    50   -67    33   0.56750  1.0 1.0
   44    50   -67    33  -0.07550 -1.0 2.0
   44    50   -67    33   0.20000  1.0 3.0
   44    50    67    72   0.34400  1.0 1.0
   44    50    67    72   0.09450 -1.0 2.0
   44    50    67    72   0.11100  1.0 3.0
   44    50    67    74   0.56750  1.0 1.0
   44    50    67    74  -0.07550 -1.0 2.0
   44    50    67    74   0.20000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    67   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    67   0.15000  1.0 3.0
   50    67    72    73   0.00000  1.0 1.0
   50    67    72    78   0.09850  1.0 1.0
   50    67    72    78   0.15250 -1.0 2.0
   50    67    72    78  -0.50650  1.0 3.0
   50    67    74    75   0.15000  1.0 3.0
   50    67    74    76   0.15000  1.0 3.0
   50    67    74    77   0.15000  1.0 3.0
   51    50    67    33   0.15000  1.0 3.0
   51    50    67    72   0.15000  1.0 3.0
   51    50    67    74   0.15000  1.0 3.0
   52    50    67    33   0.15000  1.0 3.0
   52    50    67    72   0.15000  1.0 3.0
   52    50    67    74   0.15000  1.0 3.0
   67    33    37    38   0.09850  1.0 1.0
   67    33    37    38   0.15250 -1.0 2.0
   67    33    37    38  -0.50650  1.0 3.0
   67    33   -37    39   0.46850  1.0 1.0
   67    33   -37    39   0.08550 -1.0 2.0
   67    33   -37    39   0.09800  1.0 3.0
   67    33    60    48   0.65300  1.0 1.0
   67    33    60    48  -0.03850 -1.0 2.0
   67    33    60    48   0.33900  1.0 3.0
   67    33    60    61   0.30150 -1.0 2.0
   67    72    78    79   7.00000 -1.0 2.0
   67    72    78    80   7.00000 -1.0 2.0
   72    67    74    75   0.15000  1.0 3.0
   72    67    74    76   0.15000  1.0 3.0
   72    67    74    77   0.15000  1.0 3.0
   73    72    78    79   7.00000 -1.0 2.0
   73    72    78    80   7.00000 -1.0 2.0
   74    67    72    73   0.00000  1.0 1.0
   74    67    72    78   0.09850  1.0 1.0
   74    67    72    78   0.15250 -1.0 2.0
   74    67    72    78  -0.50650  1.0 3.0
   47    39    44    45   0.15000  1.0 3.0
   47    39    44    46   0.15000  1.0 3.0
   47    39    44    50   0.34400  1.0 1.0
   47    39    44    50   0.09450 -1.0 2.0
   47    39    44    50   0.11100  1.0 3.0
   53    47    56    57   0.00000  1.0 1.0
   53    47    56    58   0.00000  1.0 1.0
   53    47    56    59   0.00000  1.0 1.0
   56    47    53    54   7.00000 -1.0 2.0
   56    47    53    55   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    38   1.10000 -1.0 2.0
   41    42    38    37   1.10000 -1.0 2.0
   38    49    41    48   1.10000 -1.0 2.0
   60    62    48    41   1.10000 -1.0 2.0
   33    48    60    61  10.50000 -1.0 2.0
   67    73    72    78  15.00000 -1.0 2.0
   79    80    78    72  15.00000 -1.0 2.0
   39    56    47    53  15.00000 -1.0 2.0
   54    55    53    47  15.00000 -1.0 2.0
END
