* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    140    213     413
    1     0 S   NP   _N1_     1    28.94119    99.53303   -21.99793
    2     1 S   H    _HN1     2     1.02868    61.60057   -19.47871
    3     1 S   H    _H1_     3     1.02944    47.67831   142.56415
    4     1 S   H    _H2_     4     1.02797   108.91901  -120.39334
    5     1 S   CT   _CA1     5     1.50452   138.26812    71.22331
    6     5 S   HC   _HA1     6     1.09702   104.65009   111.00044
    7     5 S   CO3  _C1_     7     1.54208   110.83369    -5.04209
    8     7 S   O2Z  _O11     8     1.25994   116.68966  -111.02341
    9     7 S   O2Z  _O12     9     1.26593   113.82766    67.90465
   10     5 S   CT   _CB1    10     1.53093   107.04809  -133.12465
   11    10 S   HC   HB11    11     1.09844   109.65251   -45.47814
   12    10 S   HC   HB12    12     1.09775   110.37875    71.11985
   13    10 S   CT   _CG1    13     1.53072   112.41607  -166.09437
   14    13 S   HC   HG11    14     1.09412   110.79448   -63.44565
   15    13 S   HC   HG12    15     1.09664   109.79637    55.69993
   16    13 S   C    _CD1    16     1.51807   112.08588   176.28506
   17    16 S   O    _OE1    17     1.22779   123.19176     8.68032
   18    16 S   N    _N2_    18     1.38558   111.94344  -171.60710
   19    18 S   H    _HN2    19     1.01553   119.06713     4.05685
   20    18 S   CT1  _CA2    20     1.45783   122.59793   177.25035
   21    20 S   HC   _HA2    21     1.09723   108.81931    28.24522
   22    20 S   C    _C2_    22     1.52987   106.91539   -88.82334
   23    22 S   O    _O2_    23     1.22983   123.04989   -27.25170
   24    20 S   CT   _CB2    32     1.53078   112.50403   151.61546
   25    24 S   HC   HB21    33     1.09494   110.28009    56.96275
   26    24 S   HC   HB22    34     1.09557   110.27157   174.42810
   27    22 S   N    _N3_    24     1.38486   112.54414   155.51602
   28    27 S   H    _HN3    25     1.01653   120.34636    -2.18050
   29    24 S   S    _SG2    35     1.82787   111.70894   -66.81050
   30    27 S   CT   _CA3    26     1.45355   122.51823   178.60170
   31    30 S   HC   HA31    27     1.09565   107.84736   -55.15070
   32    30 S   HC   HA32    28     1.09561   107.58552    61.19876
   33    29 S   CT   _C17    36     1.84315    99.96510   127.42729
   34    33 S   HC   _H8_    37     1.09630   105.98123    41.79591
   35    30 S   CO3  _C3_    29     1.52898   114.28794  -177.05935
   36    35 S   O2Z  _O31    30     1.26341   116.04141     0.46646
   37    35 S   O2Z  _O32    31     1.26432   114.41914  -179.58741
   38    33 S   CA   _C7_    38     1.52026   111.50628   -77.03033
   39    33 S   CM   _C18    75     1.51266   108.45523   158.28951
   40    39 S   HC   _H21    76     1.08956   117.12903    56.85999
   41    38 S   CA   _C8_    39     1.40130   121.94795   -66.59876
   42    41 S   HA   _H13    40     1.08757   120.56329    -0.27625
   43    39 S   CMA  _C19    77     1.34842   125.67005  -122.93438
   44    43 S   OM   _O40    78     1.25871   133.07924    -0.24708
   45    43 S   HC   _H22    79     1.09241   111.38516   179.87180
   46    41 S   CA   _C9_    41     1.39672   120.95456   179.59026
   47    46 S   HA   _H14    42     1.08542   117.40703   179.80820
   48    46 S   CA   _C10    43     1.39640   120.41594    -0.64316
   49    48 S   CA   _C5_    44     1.40678   119.42579     0.36208
   50    48 S   OS   _O34    52     1.37205   124.90754  -179.24127
   51    38 S   CA   _C6_    45     1.40475   119.66853   112.79044
   52    51 S   HA   _H12    46     1.08645   118.09101     0.81685
   53    49 S   OS   _O33    47     1.37416   115.74383  -179.77445
   54    50 S   CO   _C11    53     1.43281   118.76983    -5.79819
   55    54 S   HC   _H3_    54     1.09475   109.66916    52.90402
   56    53 S   CT   _C4_    48     1.42211   117.34251   178.70110
   57    56 S   HC   _H9_    49     1.09429   107.72618  -179.06917
   58    56 S   HC   _H10    50     1.09490   111.11799    63.25922
   59    56 S   HC   _H11    51     1.09504   111.17239   -61.36474
   60    54 S   CT   _C12    55     1.53807   108.15806   169.88048
   61    60 S   HC   _H4_    56     1.09645   110.99667   -49.48733
   62    60 S   CT   _C13    57     1.53162   110.15030    71.34423
   63    62 S   HC   _H5_    58     1.09732   108.57531   -67.72205
   64    60 S   OH   _O39    73     1.42887   109.60292  -167.57024
   65    64 S   HO   _H20    74     0.97635   107.41309    63.69129
   66    62 S   CT   _C14    59     1.53204   111.72057    52.26593
   67    66 S   HC   _H6_    60     1.09576   109.77253  -174.58383
   68    62 S   OH   _O38    71     1.42507   110.12159   175.39776
   69    68 S   HO   _H19    72     0.97247   107.59539   177.62611
   70    66 S   CT   _C15    61     1.53402   109.59869   -52.96470
   71    70 S   HC   _H7_    62     1.09736   110.14426   -64.01821
   72    66 S   OH   _O37    69     1.42841   110.93560    68.18458
   73    72 S   HO   _H18    70     0.97354   107.54875    29.40714
   74    54 S   OS   _O35    63     1.43537   113.61855   -67.01851
   75    70 S   CT   _C16    64     1.52881   111.99214   174.68190
   76    75 S   HC   _H15    65     1.09435   111.07087    49.46266
   77    75 S   HC   _H16    66     1.09486   111.44984   -73.13341
   78    75 S   OH   _O36    67     1.42535   109.01918   168.17508
   79    78 S   HO   _H17    68     0.97219   107.03136   177.55992
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   6   3   8   4   2   1   1   7   3  10
   9  10   3   1   4  13   6   3   2   1   1  12   7  13   7   4
   1  12   7   3   1   9   6   3   1   4   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    51    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    49    51    52    39    40    43    44    45  
   38    41    51    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    49    51    52    53    39    40    43  
   40    43    44    45    41    51  
   43    44    45  
   42    46    47    48    49    51    52    50  
   46    47    48    51  
   44    45  
   45  
    0  
   47    48    49    51    53    50    54  
   48    49    50  
   49    51    52    53    56    50    54    55    60    74  
   51    52    53    56    57    58    59    50    54  
   54    55    60    61    62    70    74    64    51    53  
   52    53    56  
   53  
   56    57    58    59  
   55    60    61    62    63    66    70    71    74    75    68    64    65  
   60    61    62    70    74    64  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    66    67    70    74    72    68    69    64    65  
   62    63    66    74    68    64    65  
   63    66    67    70    71    74    75    72    73    68    69    64    65  
   66    67    70    72    68    69    64  
   65    66    68    74  
    0  
   67    70    71    74    75    76    77    78    72    73    68    69  
   70    71    74    75    72    73    68  
   69    70    72  
    0  
   71    74    75    76    77    78    79    72    73  
   74    75    76    77    78    72  
   73    74    75  
    0  
   75    76    77    78  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    51   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    50   450.000  1.364
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   50    54   320.000  1.380
   54    55   340.000  1.090
   54    60   250.000  1.527
   54    74   320.000  1.380
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    68   320.000  1.410
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    74   320.000  1.410
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.410
   78    79   553.000  0.945
   72    73   553.000  0.945
   68    69   553.000  0.945
   64    65   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   335.000  1.111
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    51    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    51    49    63.00000  120.00000
   38    51    52    35.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    48    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    49    53    70.00000  120.00000
   48    50    54   100.00000  112.36700
   49    51    52    35.00000  120.00000
   49    53    56    75.00000  111.00000
   51    38    41    63.00000  120.00000
   53    49    51    70.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   50    48    49    70.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    60    90.00000  108.56700
   50    54    74    92.60000  111.55000
   54    60    61    45.00000  108.72000
   54    60    62    75.00000  109.43000
   54    60    64    90.00000  111.58700
   54    74    70    60.00000  109.50000
   60    54    55    45.00000  112.01100
   60    62    63    37.50000  110.70000
   60    62    66    58.35000  112.70000
   60    62    68    50.00000  109.50000
   60    64    65    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    66    72    50.00000  109.50000
   62    68    69    55.00000  108.50000
   66    62    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    50.00000  109.50000
   66    70    75    58.35000  112.70000
   66    72    73    55.00000  108.50000
   70    66    67    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    50.00000  109.50000
   74    54    55    35.00000  109.50000
   74    54    60    90.00000  108.56700
   74    70    71    35.00000  109.50000
   75    70    71    37.50000  110.70000
   75    70    74    50.00000  109.50000
   75    78    79    55.00000  108.50000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   68    62    63    35.00000  109.50000
   68    62    66    50.00000  109.50000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    45    45.00000  105.30000
   43    39    40    40.00000  120.50800
   45    43    44    50.00000  124.16400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    51  -0.16000  1.0 1.0
   29    33    38    51  -0.03200 -1.0 2.0
   29    33    38    51   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    51    49   3.62500 -1.0 2.0
   33    38    51    52   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    51   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    48   3.62500 -1.0 2.0
   41    38    51    49   3.62500 -1.0 2.0
   41    38    51    52   3.62500 -1.0 2.0
   41    46   -48    49   3.62500 -1.0 2.0
   41    46    48    50   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    48   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    50    54   1.63200 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -51    38   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    53    56   1.63200 -1.0 2.0
   48    50    54    55   0.08050  1.0 3.0
   48    50    54    60  -0.32850  1.0 1.0
   48    50    54    60  -0.35800 -1.0 2.0
   48    50    54    60   0.33950  1.0 3.0
   48    50    54    74  -0.25600  1.0 1.0
   48    50    54    74  -0.40050 -1.0 2.0
   48    50    54    74   0.34700  1.0 3.0
   49    48    50    54   1.63200 -1.0 2.0
   49    53    56    57   0.08050  1.0 3.0
   49    53    56    58   0.08050  1.0 3.0
   49    53    56    59   0.08050  1.0 3.0
   51    38    41    42   3.62500 -1.0 2.0
   51    38   -41    46   3.62500 -1.0 2.0
   51    49    53    56   1.63200 -1.0 2.0
   53    49    51    38   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   50    48    49    51   3.62500 -1.0 2.0
   50    48    49    53   3.62500 -1.0 2.0
   50    54    60    61   0.23400  1.0 3.0
   50    54    60    62   0.62750  1.0 1.0
   50    54    60    62  -0.30950 -1.0 2.0
   50    54    60    62   0.27300  1.0 3.0
   50    54    60    64   3.69350  1.0 1.0
   50    54    60    64  -1.82950 -1.0 2.0
   50    54    74    70  -0.81800  1.0 1.0
   54    60    62    63   0.15000  1.0 3.0
   54    60    62    66   3.97050  1.0 1.0
   54    60    62    68   0.86500  1.0 1.0
   54    60    62    68  -0.17500 -1.0 2.0
   54    60    62    68   0.20800  1.0 3.0
   54    60    64    65  -0.11600  1.0 1.0
   54    60    64    65  -0.09450 -1.0 2.0
   54    60    64    65   0.21250  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    64   0.23400  1.0 3.0
   55    54    74    70   0.37050  1.0 3.0
   60    54    74    70   0.06250  1.0 1.0
   60    54    74    70  -0.01100 -1.0 2.0
   60    54    74    70   0.28050  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62   -66    70   0.56750  1.0 1.0
   60    62   -66    70  -0.07550 -1.0 2.0
   60    62   -66    70   0.20000  1.0 3.0
   60    62    66    72   0.86500  1.0 1.0
   60    62    66    72  -0.17500 -1.0 2.0
   60    62    66    72   0.20800  1.0 3.0
   60    62    68    69  -0.11600  1.0 1.0
   60    62    68    69  -0.09450 -1.0 2.0
   60    62    68    69   0.21250  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.23400  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   62    60    64    65  -0.11600  1.0 1.0
   62    60    64    65  -0.09450 -1.0 2.0
   62    60    64    65   0.21250  1.0 3.0
   62    66    70    71   0.15000  1.0 3.0
   62    66    70    74   0.62750  1.0 1.0
   62    66    70    74  -0.30950 -1.0 2.0
   62    66    70    74   0.27300  1.0 3.0
   62    66    70    75   0.56750  1.0 1.0
   62    66    70    75  -0.07550 -1.0 2.0
   62    66    70    75   0.20000  1.0 3.0
   62    66    72    73  -0.11600  1.0 1.0
   62    66    72    73  -0.09450 -1.0 2.0
   62    66    72    73   0.21250  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    66    72   0.23400  1.0 3.0
   63    62    68    69   0.19450  1.0 3.0
   66    62    68    69  -0.11600  1.0 1.0
   66    62    68    69  -0.09450 -1.0 2.0
   66    62    68    69   0.21250  1.0 3.0
   66    70   -74    54   0.06250  1.0 1.0
   66    70   -74    54  -0.01100 -1.0 2.0
   66    70   -74    54   0.28050  1.0 3.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78   0.86500  1.0 1.0
   66    70    75    78  -0.17500 -1.0 2.0
   66    70    75    78   0.20800  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    70    75   0.15000  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73  -0.11600  1.0 1.0
   70    66    72    73  -0.09450 -1.0 2.0
   70    66    72    73   0.21250  1.0 3.0
   70    75    78    79  -0.11600  1.0 1.0
   70    75    78    79  -0.09450 -1.0 2.0
   70    75    78    79   0.21250  1.0 3.0
   71    70    74    54   0.37050  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.23400  1.0 3.0
   74    54    60    61   0.23400  1.0 3.0
   74    54   -60    62   0.62750  1.0 1.0
   74    54   -60    62  -0.30950 -1.0 2.0
   74    54   -60    62   0.27300  1.0 3.0
   74    54    60    64   3.69350  1.0 1.0
   74    54    60    64  -1.82950 -1.0 2.0
   74    70    75    76   0.23400  1.0 3.0
   74    70    75    77   0.23400  1.0 3.0
   74    70    75    78   3.69350  1.0 1.0
   74    70    75    78  -1.82950 -1.0 2.0
   75    70    74    54   0.06250  1.0 1.0
   75    70    74    54  -0.01100 -1.0 2.0
   75    70    74    54   0.28050  1.0 3.0
   76    75    78    79   0.19450  1.0 3.0
   77    75    78    79   0.19450  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74   3.69350  1.0 1.0
   72    66    70    74  -1.82950 -1.0 2.0
   72    66    70    75   0.86500  1.0 1.0
   72    66    70    75  -0.17500 -1.0 2.0
   72    66    70    75   0.20800  1.0 3.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    70   0.86500  1.0 1.0
   68    62    66    70  -0.17500 -1.0 2.0
   68    62    66    70   0.20800  1.0 3.0
   68    62    66    72   3.75450  1.0 1.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    66   0.86500  1.0 1.0
   64    60    62    66  -0.17500 -1.0 2.0
   64    60    62    66   0.20800  1.0 3.0
   64    60    62    68   3.75450  1.0 1.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    51   0.18050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   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
   36    30    35    37  10.50000 -1.0 2.0
   41    51    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   48    47    46    41   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   51    53    49    48   4.00000 -1.0 2.0
   49    52    51    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
