* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    147    230     441
    1     0 S   NP   _N1_     1    29.48351    97.12524   -18.71711
    2     1 S   H    _HN1     2     1.02756    71.88672   -49.53156
    3     1 S   H    _H1_     3     1.02979    96.51566    57.70000
    4     1 S   H    _H2_     4     1.02804    43.58975   165.54736
    5     1 S   CT   _CA1     5     1.50286   148.95305  -152.91315
    6     5 S   HC   _HA1     6     1.09597   105.02809    29.98967
    7     5 S   CO3  _C1_     7     1.53888   112.53288   -89.30484
    8     7 S   O2Z  _O11     8     1.26359   115.07085   -33.82481
    9     7 S   O2Z  _O12     9     1.26281   114.97876   144.78103
   10     5 S   CT   _CB1    10     1.53098   107.09051   147.35252
   11    10 S   HC   HB11    11     1.09795   108.88847   -52.20771
   12    10 S   HC   HB12    12     1.09720   110.26726    63.91651
   13    10 S   CT   _CG1    13     1.52906   113.10978  -173.77373
   14    13 S   HC   HG11    14     1.09502   110.17454   -67.35559
   15    13 S   HC   HG12    15     1.09658   110.18682    51.33850
   16    13 S   C    _CD1    16     1.51966   112.46484   170.67614
   17    16 S   O    _OE1    17     1.22757   123.07076   -24.09258
   18    16 S   N    _N2_    18     1.38500   111.80690   158.82556
   19    18 S   H    _HN2    19     1.01592   118.88793    -3.05403
   20    18 S   CT1  _CA2    20     1.46247   123.83406   176.52216
   21    20 S   HC   _HA2    21     1.09726   109.52652   -12.32096
   22    20 S   C    _C2_    22     1.53581   107.89637  -127.60745
   23    22 S   O    _O2_    23     1.23024   122.36802  -146.58190
   24    20 S   CT   _CB2    32     1.53351   111.08352   110.45455
   25    24 S   HC   HB21    33     1.09147   108.95468    47.76055
   26    24 S   HC   HB22    34     1.09476   110.97933   166.00755
   27    22 S   N    _N3_    24     1.38558   113.38506    40.97431
   28    27 S   H    _HN3    25     1.01529   118.84497    -0.96103
   29    24 S   S    _SG2    35     1.82832   111.61188   -75.58678
   30    27 S   CT   _CA3    26     1.45423   123.49225   175.23280
   31    30 S   HC   HA31    27     1.09522   109.27208    24.12348
   32    30 S   HC   HA32    28     1.09499   107.12758   141.09629
   33    29 S   CT   _C15    36     1.86647   102.45245   140.72030
   34    30 S   CO3  _C3_    29     1.52896   113.03140   -99.39134
   35    34 S   O2Z  _O31    30     1.26409   115.36948   -46.90332
   36    34 S   O2Z  _O32    31     1.26351   115.02822   134.03816
   37    33 S   CM   _C12    37     1.56335   109.53329   -70.85336
   38    33 S   CT   _C16    70     1.54849   108.47191    55.84519
   39    38 S   HC   _H16    71     1.09743   111.46997    57.05112
   40    38 S   HC   _H17    72     1.09681   110.71810   175.62789
   41    38 S   HC   _H18    73     1.09340   113.79558   -63.60025
   42    33 S   CT   _C17    74     1.54955   106.54608   168.38443
   43    42 S   HC   _H19    75     1.09762   111.49448   -67.60141
   44    42 S   HC   _H20    76     1.09705   110.52448   173.59354
   45    42 S   HC   _H21    77     1.09381   113.89318    52.49449
   46    37 S   CMA  _C13    38     1.36814   123.62367   -66.50045
   47    46 S   OM   _O33    39     1.26419   131.09126     2.69479
   48    37 S   CT   _C11    55     1.52887   115.35774   114.86190
   49    48 S   HC   _H12    56     1.09346   109.54580   -48.06448
   50    48 S   HC   _H13    57     1.09503   107.57721    67.95803
   51    46 S   CT   _C14    40     1.53725   120.36755  -177.65548
   52    51 S   HC   _H14    41     1.10195   110.79507   142.40070
   53    51 S   HC   _H15    42     1.09961   107.17831  -102.85615
   54    51 S   CT   _C5_    43     1.55318   116.19974    19.10543
   55    54 S   CT   _C6_    44     1.54942   108.82129  -168.04853
   56    55 S   HC   _H8_    45     1.09787   109.70993    44.94008
   57    55 S   HC   _H9_    46     1.09738   110.28415   -71.18944
   58    54 S   CT   _C4_    66     1.54676   107.92948    74.10912
   59    58 S   HC   _H5_    67     1.08991   112.83461   171.69437
   60    58 S   HC   _H6_    68     1.09718   110.38912    53.48859
   61    58 S   HC   _H7_    69     1.09340   112.99097   -65.82457
   62    55 S   CT   _C7_    47     1.53168   113.36981   165.96747
   63    62 S   HC   _H10    48     1.09462   110.45870    67.56375
   64    62 S   HC   _H11    49     1.09699   107.98103  -176.13619
   65    62 S   CT   _C8_    50     1.53001   111.59939   -55.73855
   66    65 S   HC   _H3_    51     1.09622   110.16822   179.98022
   67    65 S   CT   _C9_    52     1.54834   112.24894    56.72504
   68    65 S   OH   _O35    64     1.43246   108.67357   -64.06852
   69    68 S   HO   _H26    65     0.97228   107.83212   -54.08256
   70    54 S   CT   _C10    53     1.54766   105.85323   -49.52664
   71    70 S   HC   _H4_    54     1.10428   106.11639   -50.48576
   72    67 S   CT   _C18    58     1.53387   110.64341    76.49888
   73    72 S   HC   _H22    59     1.09747   110.06799    59.11711
   74    72 S   HC   _H23    60     1.08840   113.81683   -60.90116
   75    72 S   HC   _H24    61     1.09459   111.62008   175.50512
   76    67 S   OH   _O34    62     1.44203   108.19805  -169.08756
   77    76 S   HO   _H25    63     0.97226   107.93804   -47.65255
  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  12   5   4   3
  16   2   1   1  20   9   3   2   1   5   2   1   1  11   5  12
   5   4  14   5   4  16  15   7   6   7   3   2   1  10   5   4
  12   6  10   4   1   7   2   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    46    48    38    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    46    47    51    70    48    49    50    38    39    40    41    42    43    44    45  
   35    36  
   36  
    0  
   46    47    51    52    53    54    67    70    71    48    49    50    38    39    40    41    42    43    44    45  
   39    40    41    42    43    44    45    46    48  
   40    41    42  
   41    42  
   42  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    51    52    53    54    55    70    48    49    50    58  
   51    52    53    54    48  
   49    50    72    76    58    51    54    55    65    67    70    71  
   50    54    67    70    71  
   54    67    70    71  
   52    53    54    55    56    57    62    67    70    71    58    59    60    61  
   53    54    55    70    58  
   54    55    70    58  
   55    56    57    62    63    64    65    67    70    71    72    76    58    59    60    61  
   56    57    62    63    64    65    66    67    70    71    68    58    59    60    61  
   57    62    63    64    65    70    58  
   62    63    64    65    70    58  
   59    60    61    62    67    70    71  
   60    61    70  
   61    70  
   70  
   63    64    65    66    67    70    72    76    68    69  
   64    65    66    67    68  
   65    66    67    68  
   66    67    70    71    72    73    74    75    76    77    68    69  
   67    70    72    76    68    69  
   70    71    72    73    74    75    76    77    68    69  
   69    70    72    76  
    0  
   71    72    73    74    75    76    77  
   72    76  
   73    74    75    76    77  
   74    75    76  
   75    76  
   76  
   77  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    42   268.000  1.529
   37    46   465.000  1.376
   37    48   317.000  1.510
   46    47   745.000  1.250
   46    51   270.000  1.512
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   268.000  1.529
   54    70   268.000  1.529
   54    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    68   320.000  1.410
   67    70   268.000  1.529
   67    72   268.000  1.529
   67    76   320.000  1.410
   70    71   340.000  1.090
   70    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   553.000  0.945
   68    69   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    46    70.00000  124.00000
   33    37    48    65.00000  117.92700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    65.00000  137.10300
   37    46    51    65.00000  122.18000
   37    48    70    70.00000  112.02700
   37    48    49    35.00000  109.50000
   37    48    50    35.00000  109.50000
   46    51    52    45.00000  110.52000
   46    51    53    45.00000  110.52000
   46    51    54    70.00000  112.02700
   51    46    47    85.00000  112.85300
   51    54    55    58.35000  112.70000
   51    54    70    58.35000  112.70000
   51    54    58    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    57    37.50000  110.70000
   54    55    62    58.35000  112.70000
   54    70    67    58.35000  112.70000
   54    70    71    37.50000  110.70000
   54    70    48    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    58.35000  112.70000
   62    65    68    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    70    58.35000  112.70000
   65    67    72    58.35000  112.70000
   65    67    76    50.00000  109.50000
   65    68    69    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    48    58.35000  112.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   67    76    77    55.00000  108.50000
   70    54    55    58.35000  112.70000
   70    48    49    37.50000  110.70000
   70    48    50    37.50000  110.70000
   48    37    46    70.00000  124.00000
   48    70    71    37.50000  110.70000
   50    48    49    33.00000  107.80000
   72    67    70    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    67    70    50.00000  109.50000
   76    67    72    50.00000  109.50000
   68    65    66    35.00000  109.50000
   68    65    67    50.00000  109.50000
   58    54    55    58.35000  112.70000
   58    54    70    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   38    33    37    70.00000  112.02700
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    70.00000  112.02700
   42    33    38    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    37    48   0.30250  1.0 1.0
   29    33    37    48  -0.14950 -1.0 2.0
   29    33    37    48   0.36900  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    37    48    70   0.46850  1.0 1.0
   33    37    48    70   0.08550 -1.0 2.0
   33    37    48    70   0.09800  1.0 3.0
   33    37    48    49   0.34800  1.0 3.0
   33    37    48    50   0.34800  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.00000  1.0 1.0
   37    46    51    53   0.00000  1.0 1.0
   37    46    51    54   0.09850  1.0 1.0
   37    46    51    54   0.15250 -1.0 2.0
   37    46    51    54  -0.50650  1.0 3.0
   46    37    48    70   0.09850  1.0 1.0
   46    37    48    70   0.15250 -1.0 2.0
   46    37    48    70  -0.50650  1.0 3.0
   46    37    48    49   0.00000  1.0 1.0
   46    37    48    50   0.00000  1.0 1.0
   46    51    54    55   0.34400  1.0 1.0
   46    51    54    55   0.09450 -1.0 2.0
   46    51    54    55   0.11100  1.0 3.0
   46    51   -54    70   0.34400  1.0 1.0
   46    51   -54    70   0.09450 -1.0 2.0
   46    51   -54    70   0.11100  1.0 3.0
   46    51    54    58   0.34400  1.0 1.0
   46    51    54    58   0.09450 -1.0 2.0
   46    51    54    58   0.11100  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   47    46    51    54   0.09700  1.0 1.0
   47    46    51    54   0.15600 -1.0 2.0
   47    46    51    54  -0.50800  1.0 3.0
   51    54    55    56   0.15000  1.0 3.0
   51    54    55    57   0.15000  1.0 3.0
   51    54    55    62   0.56750  1.0 1.0
   51    54    55    62  -0.07550 -1.0 2.0
   51    54    55    62   0.20000  1.0 3.0
   51    54    70    67   0.56750  1.0 1.0
   51    54    70    67  -0.07550 -1.0 2.0
   51    54    70    67   0.20000  1.0 3.0
   51    54    70    71   0.15000  1.0 3.0
   51    54    70    48   0.56750  1.0 1.0
   51    54    70    48  -0.07550 -1.0 2.0
   51    54    70    48   0.20000  1.0 3.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    60   0.15000  1.0 3.0
   51    54    58    61   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    70   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    70   0.15000  1.0 3.0
   53    51    54    58   0.15000  1.0 3.0
   54    55    62    63   0.15000  1.0 3.0
   54    55    62    64   0.15000  1.0 3.0
   54    55    62    65   0.56750  1.0 1.0
   54    55    62    65  -0.07550 -1.0 2.0
   54    55    62    65   0.20000  1.0 3.0
   54    70   -48    37   0.34400  1.0 1.0
   54    70   -48    37   0.09450 -1.0 2.0
   54    70   -48    37   0.11100  1.0 3.0
   54    70    48    49   0.15000  1.0 3.0
   54    70    48    50   0.15000  1.0 3.0
   55    54    70    67   0.56750  1.0 1.0
   55    54    70    67  -0.07550 -1.0 2.0
   55    54    70    67   0.20000  1.0 3.0
   55    54    70    71   0.15000  1.0 3.0
   55    54    70    48   0.56750  1.0 1.0
   55    54    70    48  -0.07550 -1.0 2.0
   55    54    70    48   0.20000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    62    65    66   0.15000  1.0 3.0
   55    62   -65    67   0.56750  1.0 1.0
   55    62   -65    67  -0.07550 -1.0 2.0
   55    62   -65    67   0.20000  1.0 3.0
   55    62    65    68   0.86500  1.0 1.0
   55    62    65    68  -0.17500 -1.0 2.0
   55    62    65    68   0.20800  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    65   0.15000  1.0 3.0
   62    65    67    70   0.56750  1.0 1.0
   62    65    67    70  -0.07550 -1.0 2.0
   62    65    67    70   0.20000  1.0 3.0
   62    65    67    72   0.56750  1.0 1.0
   62    65    67    72  -0.07550 -1.0 2.0
   62    65    67    72   0.20000  1.0 3.0
   62    65    67    76   0.86500  1.0 1.0
   62    65    67    76  -0.17500 -1.0 2.0
   62    65    67    76   0.20800  1.0 3.0
   62    65    68    69  -0.11600  1.0 1.0
   62    65    68    69  -0.09450 -1.0 2.0
   62    65    68    69   0.21250  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.23400  1.0 3.0
   65    67   -70    54   0.56750  1.0 1.0
   65    67   -70    54  -0.07550 -1.0 2.0
   65    67   -70    54   0.20000  1.0 3.0
   65    67    70    71   0.15000  1.0 3.0
   65    67    70    48   0.56750  1.0 1.0
   65    67    70    48  -0.07550 -1.0 2.0
   65    67    70    48   0.20000  1.0 3.0
   65    67    72    73   0.15000  1.0 3.0
   65    67    72    74   0.15000  1.0 3.0
   65    67    72    75   0.15000  1.0 3.0
   65    67    76    77  -0.11600  1.0 1.0
   65    67    76    77  -0.09450 -1.0 2.0
   65    67    76    77   0.21250  1.0 3.0
   66    65    67    70   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   66    65    67    76   0.23400  1.0 3.0
   66    65    68    69   0.19450  1.0 3.0
   67    65    68    69  -0.11600  1.0 1.0
   67    65    68    69  -0.09450 -1.0 2.0
   67    65    68    69   0.21250  1.0 3.0
   67    70    48    37   0.34400  1.0 1.0
   67    70    48    37   0.09450 -1.0 2.0
   67    70    48    37   0.11100  1.0 3.0
   67    70    48    49   0.15000  1.0 3.0
   67    70    48    50   0.15000  1.0 3.0
   70    54    55    56   0.15000  1.0 3.0
   70    54    55    57   0.15000  1.0 3.0
   70    54   -55    62   0.56750  1.0 1.0
   70    54   -55    62  -0.07550 -1.0 2.0
   70    54   -55    62   0.20000  1.0 3.0
   70    54    58    59   0.15000  1.0 3.0
   70    54    58    60   0.15000  1.0 3.0
   70    54    58    61   0.15000  1.0 3.0
   70    67    72    73   0.15000  1.0 3.0
   70    67    72    74   0.15000  1.0 3.0
   70    67    72    75   0.15000  1.0 3.0
   70    67    76    77  -0.11600  1.0 1.0
   70    67    76    77  -0.09450 -1.0 2.0
   70    67    76    77   0.21250  1.0 3.0
   71    70    48    37   0.15000  1.0 3.0
   71    70    48    49   0.15000  1.0 3.0
   71    70    48    50   0.15000  1.0 3.0
   48    37    46    47   7.00000 -1.0 2.0
   48    37   -46    51   7.00000 -1.0 2.0
   72    67    70    54   0.56750  1.0 1.0
   72    67    70    54  -0.07550 -1.0 2.0
   72    67    70    54   0.20000  1.0 3.0
   72    67    70    71   0.15000  1.0 3.0
   72    67    70    48   0.56750  1.0 1.0
   72    67    70    48  -0.07550 -1.0 2.0
   72    67    70    48   0.20000  1.0 3.0
   72    67    76    77  -0.11600  1.0 1.0
   72    67    76    77  -0.09450 -1.0 2.0
   72    67    76    77   0.21250  1.0 3.0
   76    67    70    54   0.86500  1.0 1.0
   76    67    70    54  -0.17500 -1.0 2.0
   76    67    70    54   0.20800  1.0 3.0
   76    67    70    71   0.23400  1.0 3.0
   76    67    70    48   0.86500  1.0 1.0
   76    67    70    48  -0.17500 -1.0 2.0
   76    67    70    48   0.20800  1.0 3.0
   76    67    72    73   0.23400  1.0 3.0
   76    67    72    74   0.23400  1.0 3.0
   76    67    72    75   0.23400  1.0 3.0
   68    65    67    70   0.86500  1.0 1.0
   68    65    67    70  -0.17500 -1.0 2.0
   68    65    67    70   0.20800  1.0 3.0
   68    65    67    72   0.86500  1.0 1.0
   68    65    67    72  -0.17500 -1.0 2.0
   68    65    67    72   0.20800  1.0 3.0
   68    65    67    76   3.75450  1.0 1.0
   58    54    55    56   0.15000  1.0 3.0
   58    54    55    57   0.15000  1.0 3.0
   58    54    55    62   0.56750  1.0 1.0
   58    54    55    62  -0.07550 -1.0 2.0
   58    54    55    62   0.20000  1.0 3.0
   58    54    70    67   0.56750  1.0 1.0
   58    54    70    67  -0.07550 -1.0 2.0
   58    54    70    67   0.20000  1.0 3.0
   58    54    70    71   0.15000  1.0 3.0
   58    54    70    48   0.56750  1.0 1.0
   58    54    70    48  -0.07550 -1.0 2.0
   58    54    70    48   0.20000  1.0 3.0
   38    33    37    46   0.09850  1.0 1.0
   38    33    37    46   0.15250 -1.0 2.0
   38    33    37    46  -0.50650  1.0 3.0
   38    33    37    48   0.46850  1.0 1.0
   38    33    37    48   0.08550 -1.0 2.0
   38    33    37    48   0.09800  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44   0.15000  1.0 3.0
   38    33    42    45   0.15000  1.0 3.0
   42    33    37    46   0.09850  1.0 1.0
   42    33    37    46   0.15250 -1.0 2.0
   42    33    37    46  -0.50650  1.0 3.0
   42    33    37    48   0.46850  1.0 1.0
   42    33    37    48   0.08550 -1.0 2.0
   42    33    37    48   0.09800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    48    37    46   1.10000 -1.0 2.0
   51    47    46    37   1.10000 -1.0 2.0
END
