* LIGAND DATABASE FILE (OPLS2005)
*
001      78    83    147    253     439
    1     0 S   NP   _N1_     1    28.91781    97.42561   -21.49119
    2     1 S   H    _HN1     2     1.02947    66.72392    12.07966
    3     1 S   H    _H1_     3     1.02828    47.09444   159.01902
    4     1 S   H    _H2_     4     1.02795    98.38125   -94.34650
    5     1 S   CT   _CA1     5     1.50129   147.88557   103.79338
    6     5 S   HC   _HA1     6     1.09585   105.13488    99.41985
    7     5 S   CO3  _C1_     7     1.53685   112.31358   -20.60762
    8     7 S   O2Z  _O11     8     1.26347   115.07708   -46.80182
    9     7 S   O2Z  _O12     9     1.26238   114.89973   132.02100
   10     5 S   CT   _CB1    10     1.53040   107.35910  -142.87987
   11    10 S   HC   HB11    11     1.09841   109.10857   -50.96150
   12    10 S   HC   HB12    12     1.09809   110.57579    65.54453
   13    10 S   CT   _CG1    13     1.53024   112.72211  -171.98680
   14    13 S   HC   HG11    14     1.09529   110.56955   -69.80646
   15    13 S   HC   HG12    15     1.09667   109.81253    49.46046
   16    13 S   C    _CD1    16     1.51848   111.93196   169.88003
   17    16 S   O    _OE1    17     1.22761   123.14691    11.85932
   18    16 S   N    _N2_    18     1.38612   111.88044  -168.05100
   19    18 S   H    _HN2    19     1.01590   118.98472     0.15323
   20    18 S   CT1  _CA2    20     1.46396   123.38806   176.13153
   21    20 S   HC   _HA2    21     1.09733   109.37244     4.36951
   22    20 S   C    _C2_    22     1.53585   108.61891  -111.10551
   23    22 S   O    _O2_    23     1.23058   122.30939  -148.70891
   24    20 S   CT   _CB2    32     1.53267   111.39531   126.47614
   25    24 S   HC   HB21    33     1.09544   109.42188    56.34718
   26    24 S   HC   HB22    34     1.09468   110.79259   175.20654
   27    22 S   N    _N3_    24     1.38342   113.72955    38.77507
   28    27 S   H    _HN3    25     1.01563   119.53684    -3.27160
   29    24 S   S    _SG2    35     1.82727   110.91213   -65.05869
   30    27 S   CT   _CA3    26     1.45272   123.30615   177.21885
   31    30 S   HC   HA31    27     1.09545   107.51434   -64.86896
   32    30 S   HC   HA32    28     1.09554   107.99843    51.59391
   33    29 S   CT   _C27    36     1.87390    99.69569   155.00782
   34    33 S   HC   _H6_    37     1.08282   103.46479   -35.85424
   35    30 S   CO3  _C3_    29     1.52977   114.02422   173.59611
   36    35 S   O2Z  _O31    30     1.26384   116.06553    -0.28804
   37    35 S   O2Z  _O32    31     1.26423   114.42303   179.77272
   38    33 S   CA   _C18    38     1.54424   106.67192  -152.95502
   39    38 S   CA   _C17    39     1.45991   121.25094    70.35563
   40    38 S   CA   _C19    65     1.41323   116.81999   -97.03297
   41    39 S   CA   _C7_    40     1.44995   127.23008    26.72038
   42    40 S   CT   _C24    66     1.51067   123.35388   -20.71173
   43    42 S   HC   _H3_    67     1.09726   108.73025   149.16276
   44    39 S   CR3  _C16    77     1.41937   116.31359  -151.62791
   45    41 S   CA   _C6_    41     1.41886   122.80675    21.78800
   46    45 S   HA   _H9_    42     1.08704   120.49656    10.04802
   47    42 S   CT   _C25    68     1.53468   115.31600    27.38289
   48    47 S   HC   _H4_    69     1.09972   109.30650  -163.73794
   49    42 S   OH   _O35    75     1.43030   107.33937   -95.75289
   50    49 S   HO   _H18    76     0.97570   106.73912    81.80814
   51    64 S   CR3  _C15    78     1.41394   119.10178    -2.52142
   52    45 S   CA   _C5_    43     1.39425   123.80783  -174.35180
   53    52 S   HA   _H8_    44     1.08551   120.21135   178.60324
   54    33 S   CT   _C26    70     1.56482   111.57914    78.26068
   55    54 S   OM   _O33    71     1.32925   108.04131  -160.31759
   56    54 S   HC   _H5_    72     1.10064   106.27398   -34.19233
   57    47 S   OH   _O34    73     1.43244   109.18319    81.17831
   58    57 S   HO   _H17    74     0.97193   107.56231    61.16380
   59    52 S   CA   _C4_    45     1.37556   119.17610    -2.51045
   60    59 S   HA   _H7_    46     1.08536   120.69260   179.73093
   61    59 S   CA   _C9_    47     1.39135   118.89728    -3.79065
   62    61 S   HA   _H10    48     1.08650   115.64148  -175.58612
   63    41 S   CA   _C8_    49     1.42259   120.99400  -162.46685
   64    63 S   CA   _C10    50     1.42699   119.62633    -8.91923
   65    64 S   CA   _C11    51     1.41960   123.64939  -179.50189
   66    65 S   HA   _H11    52     1.08654   121.53724    -4.03910
   67    65 S   CA   _C12    53     1.39250   122.62180   175.43812
   68    67 S   HA   _H12    54     1.08604   120.01055  -179.88465
   69    67 S   CA   _C13    55     1.38262   119.64397    -0.48658
   70    69 S   HA   _H13    56     1.08765   118.85061  -179.26618
   71    69 S   CA   _C14    57     1.39614   120.03815     1.39970
   72    71 S   CA   _C23    58     1.39325   118.96029   179.58129
   73    72 S   HA   _H16    59     1.08790   121.04629     1.14654
   74    72 S   CA   _C22    60     1.38636   120.22380  -178.07471
   75    74 S   HA   _H15    61     1.08832   118.48377   179.07846
   76    74 S   CA   _C21    62     1.39680   120.57847     0.98477
   77    76 S   CA   _C20    63     1.38949   118.53209   176.61922
   78    77 S   HA   _H14    64     1.08951   119.95156     3.43952
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  17  16  14  13  13   7  13   8   4   9   6
   4   1  14   6   3   4   2   1   1   1   5   3   4   2   5   8
   6   3   5   3   5   2   5   5   3   4   2   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    54    55    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    77    40    42    47    48    54    55    56    57    44  
   38    39    40    47    54    55    56  
   36    37  
   37  
    0  
   39    41    45    63    76    77    78    40    42    43    47    54    55    56    49    44    51  
   41    45    46    52    61    63    64    71    74    76    77    40    42    54    44    51  
   42    43    47    48    54    57    49    50    44    41    74    76    77    78  
   45    46    52    53    59    61    62    63    64    65    76    44    51  
   43    47    48    54    55    56    57    58    49    50    76    77    78  
   47    48    54    57    49    50    77  
   51    45    63    64    65    69    71    72    74    75    76    77    78  
   46    52    53    59    60    61    63    64  
   52    53    59    63  
   48    54    55    56    57    58    49    50    77  
   54    55    56    57    58    49  
   50    54    57    77  
    0  
   61    63    64    65    66    67    69    70    71    72    73    74    76    77  
   53    59    60    61    62    63  
   59    60    61  
   55    56    57    58  
   56    57  
   57  
   58  
    0  
   60    61    62    63    64  
   61    62    63  
   62    63    64    65  
   63    64  
   64    65    66    67    71  
   65    66    67    68    69    71    72    76  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73    74  
   71    72  
   72    73    74    75    76  
   73    74    75    76    77  
   74    75    76  
   75    76    77    78  
   76    77  
   77    78  
   78  
    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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   375.000  1.464
   39    44   490.000  1.398
   41    45   469.000  1.400
   41    63   469.000  1.400
   45    46   367.000  1.080
   45    52   469.000  1.400
   52    53   367.000  1.080
   52    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   375.000  1.464
   64    65   469.000  1.400
   64    51   490.000  1.398
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    51   490.000  1.398
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    44   490.000  1.398
   77    78   367.000  1.080
   77    40   469.000  1.400
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    49   320.000  1.410
   47    48   340.000  1.090
   47    54   268.000  1.529
   47    57   320.000  1.410
   54    55   570.000  1.307
   54    56   340.000  1.090
   57    58   553.000  0.945
   49    50   553.000  0.945
   44    51   490.000  1.398
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    54    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    54    47    58.35000  112.70000
   33    54    55    50.00000  109.50000
   33    54    56    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    41    60.00000  122.76000
   38    39    44    70.00000  112.88000
   38    40    77    63.00000  120.00000
   38    40    42    70.00000  120.00000
   39    41    45    60.00000  122.76000
   39    41    63    60.00000  122.76000
   39    44    76    60.00000  130.80000
   39    44    51    60.00000  130.80000
   41    45    46    35.00000  120.00000
   41    45    52    63.00000  120.00000
   41    63    61    63.00000  120.00000
   41    63    64    60.00000  122.76000
   45    52    53    35.00000  120.00000
   45    52    59    63.00000  120.00000
   52    45    46    35.00000  120.00000
   52    59    60    35.00000  120.00000
   52    59    61    63.00000  120.00000
   59    52    53    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    60.00000  122.76000
   63    41    45    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    64    65    60.00000  122.76000
   63    64    51    60.00000  122.76000
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    51    71    60.00000  130.80000
   64    51    44    60.00000  130.80000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    51    70.00000  112.88000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    51    44    60.00000  130.80000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    44    70.00000  112.88000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    40    63.00000  120.00000
   76    44    51    60.00000  130.80000
   77    40    42    70.00000  120.00000
   40    38    39    63.00000  120.00000
   40    77    78    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    47    70.00000  112.17500
   40    42    49    90.00000  112.51600
   42    47    48    37.50000  110.70000
   42    47    54    58.35000  112.70000
   42    47    57    50.00000  109.50000
   42    49    50    55.00000  108.50000
   47    42    43    37.50000  110.70000
   47    54    55    50.00000  109.50000
   47    54    56    37.50000  110.70000
   47    57    58    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.17500
   54    47    48    37.50000  110.70000
   56    54    55    45.00000  125.66300
   57    47    48    35.00000  109.50000
   57    47    54    50.00000  109.50000
   49    42    43    35.00000  109.50000
   49    42    47    50.00000  109.50000
   44    39    41    60.00000  122.76000
   44    76    77    70.00000  112.88000
   51    64    65    70.00000  112.88000
   51    71    72    70.00000  112.88000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    44   3.62500 -1.0 2.0
   33    38    40    77   3.62500 -1.0 2.0
   33    38    40    42   3.62500 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    54    47   0.15000  1.0 3.0
   34    33    54    55   0.23400  1.0 3.0
   34    33    54    56   0.15000  1.0 3.0
   38    33    54    47  -0.03700  1.0 1.0
   38    33    54    47   0.37200 -1.0 2.0
   38    33    54    47  -0.47300  1.0 3.0
   38    33    54    55  -0.64350  1.0 1.0
   38    33    54    55  -0.04200 -1.0 2.0
   38    33    54    55   0.19800  1.0 3.0
   38    33    54    56   0.43200  1.0 3.0
   38    39    41    45  -0.19450  1.0 1.0
   38    39    41    45   0.63300 -1.0 2.0
   38    39    41    45   0.07450  1.0 3.0
   38    39    41    63  -0.19450  1.0 1.0
   38    39    41    63   0.63300 -1.0 2.0
   38    39    41    63   0.07450  1.0 3.0
   38    39    44    76   3.62500 -1.0 2.0
   38    39    44    51   3.62500 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    47   0.04150 -1.0 2.0
   38    40    42    49   0.14300 -1.0 2.0
   38    40    42    49   0.00300  1.0 3.0
   39    38    40    77   3.62500 -1.0 2.0
   39    38    40    42   3.62500 -1.0 2.0
   39    41    45    46   3.62500 -1.0 2.0
   39    41    45    52   3.62500 -1.0 2.0
   39    41    63    61   3.62500 -1.0 2.0
   39    41    63    64   3.62500 -1.0 2.0
   39    44   -51    64   3.62500 -1.0 2.0
   39    44    51    71   3.62500 -1.0 2.0
   41    39    44    76   3.62500 -1.0 2.0
   41    39    44    51   3.62500 -1.0 2.0
   41    45    52    53   3.62500 -1.0 2.0
   41    45    52    59   3.62500 -1.0 2.0
   41    63    64    65  -0.19450  1.0 1.0
   41    63    64    65   0.63300 -1.0 2.0
   41    63    64    65   0.07450  1.0 3.0
   41    63   -64    51  -0.19450  1.0 1.0
   41    63   -64    51   0.63300 -1.0 2.0
   41    63   -64    51   0.07450  1.0 3.0
   45    41    63    61   3.62500 -1.0 2.0
   45    41    63    64   3.62500 -1.0 2.0
   45    52    59    60   3.62500 -1.0 2.0
   45    52   -59    61   3.62500 -1.0 2.0
   46    45    52    53   3.62500 -1.0 2.0
   46    45    52    59   3.62500 -1.0 2.0
   52    59    61    62   3.62500 -1.0 2.0
   52    59    61    63   3.62500 -1.0 2.0
   53    52    59    60   3.62500 -1.0 2.0
   53    52    59    61   3.62500 -1.0 2.0
   59    61   -63    41   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    64    65  -0.19450  1.0 1.0
   61    63    64    65   0.63300 -1.0 2.0
   61    63    64    65   0.07450  1.0 3.0
   61    63    64    51  -0.19450  1.0 1.0
   61    63    64    51   0.63300 -1.0 2.0
   61    63    64    51   0.07450  1.0 3.0
   62    61    63    41   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   63    41    45    46   3.62500 -1.0 2.0
   63    41   -45    52   3.62500 -1.0 2.0
   63    64    65    66   3.62500 -1.0 2.0
   63    64    65    67   3.62500 -1.0 2.0
   63    64    51    71   3.62500 -1.0 2.0
   63    64    51    44   3.62500 -1.0 2.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    69   3.62500 -1.0 2.0
   65    64    51    71   3.62500 -1.0 2.0
   65    64    51    44   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67   -69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    51   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    74   3.62500 -1.0 2.0
   69    71   -51    64   3.62500 -1.0 2.0
   69    71    51    44   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    51   3.62500 -1.0 2.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    51    64   3.62500 -1.0 2.0
   72    71    51    44   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74   -76    44   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    40   3.62500 -1.0 2.0
   74    76    44    39   3.62500 -1.0 2.0
   74    76    44    51   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    44   3.62500 -1.0 2.0
   76    77   -40    38   3.62500 -1.0 2.0
   76    77    40    42   3.62500 -1.0 2.0
   76    44    51    64   3.62500 -1.0 2.0
   76    44   -51    71   3.62500 -1.0 2.0
   77    76   -44    39   3.62500 -1.0 2.0
   77    76    44    51   3.62500 -1.0 2.0
   77    40    42    43   0.00000  1.0 1.0
   77    40    42    47   0.04150 -1.0 2.0
   77    40    42    49   0.14300 -1.0 2.0
   77    40    42    49   0.00300  1.0 3.0
   78    77    40    38   3.62500 -1.0 2.0
   78    77    40    42   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38    39    44   3.62500 -1.0 2.0
   40    42    47    48   0.43200  1.0 3.0
   40    42    47    54  -0.03700  1.0 1.0
   40    42    47    54   0.37200 -1.0 2.0
   40    42    47    54  -0.47300  1.0 3.0
   40    42    47    57   1.13150  1.0 1.0
   40    42    47    57  -1.01400 -1.0 2.0
   40    42    49    50   0.31900  1.0 1.0
   40    42    49    50  -0.11800 -1.0 2.0
   40    42    49    50   0.38750  1.0 3.0
   42    47   -54    33   0.56750  1.0 1.0
   42    47   -54    33  -0.07550 -1.0 2.0
   42    47   -54    33   0.20000  1.0 3.0
   42    47    54    55   0.62750  1.0 1.0
   42    47    54    55  -0.30950 -1.0 2.0
   42    47    54    55   0.27300  1.0 3.0
   42    47    54    56   0.15000  1.0 3.0
   42    47    57    58  -0.11600  1.0 1.0
   42    47    57    58  -0.09450 -1.0 2.0
   42    47    57    58   0.21250  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    54   0.15000  1.0 3.0
   43    42    47    57   0.23400  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   47    42    49    50  -0.11600  1.0 1.0
   47    42    49    50  -0.09450 -1.0 2.0
   47    42    49    50   0.21250  1.0 3.0
   48    47    54    33   0.15000  1.0 3.0
   48    47    54    55   0.23400  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    57    58   0.19450  1.0 3.0
   54    33    38    39   0.04150 -1.0 2.0
   54    33   -38    40   0.04150 -1.0 2.0
   54    47    57    58  -0.11600  1.0 1.0
   54    47    57    58  -0.09450 -1.0 2.0
   54    47    57    58   0.21250  1.0 3.0
   57    47    54    33   0.86500  1.0 1.0
   57    47    54    33  -0.17500 -1.0 2.0
   57    47    54    33   0.20800  1.0 3.0
   57    47    54    55   3.69350  1.0 1.0
   57    47    54    55  -1.82950 -1.0 2.0
   57    47    54    56   0.23400  1.0 3.0
   49    42    47    48   0.23400  1.0 3.0
   49    42    47    54   0.86500  1.0 1.0
   49    42    47    54  -0.17500 -1.0 2.0
   49    42    47    54   0.20800  1.0 3.0
   49    42    47    57   3.75450  1.0 1.0
   44    39    41    45  -0.19450  1.0 1.0
   44    39    41    45   0.63300 -1.0 2.0
   44    39    41    45   0.07450  1.0 3.0
   44    39   -41    63  -0.19450  1.0 1.0
   44    39   -41    63   0.63300 -1.0 2.0
   44    39   -41    63   0.07450  1.0 3.0
   44    76    77    78   3.62500 -1.0 2.0
   44    76   -77    40   3.62500 -1.0 2.0
   51    64    65    66   3.62500 -1.0 2.0
   51    64   -65    67   3.62500 -1.0 2.0
   51    71    72    73   3.62500 -1.0 2.0
   51    71   -72    74   3.62500 -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
   39    40    38    33   4.00000 -1.0 2.0
   41    44    39    38   4.00000 -1.0 2.0
   45    63    41    39   4.00000 -1.0 2.0
   52    46    45    41   1.10000 -1.0 2.0
   59    53    52    45   1.10000 -1.0 2.0
   61    60    59    52   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   61    64    63    41   4.00000 -1.0 2.0
   65    51    64    63   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    51    71    69   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    44    76    74   4.00000 -1.0 2.0
   40    78    77    76   1.10000 -1.0 2.0
   77    42    40    38   4.00000 -1.0 2.0
   76    51    44    39   4.00000 -1.0 2.0
   71    44    51    64   4.00000 -1.0 2.0
END
