* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    28.56408    94.78616   -22.50412
    2     1 S   H    _HN1     2     1.02835    29.88558   170.04823
    3     1 S   H    _H1_     3     1.02777    98.62326   -78.83213
    4     1 S   H    _H2_     4     1.02960    83.84245    28.84059
    5     1 S   CT   _CA1     5     1.50122   138.39953   142.78273
    6     5 S   HC   _HA1     6     1.09576   105.22782    73.26546
    7     5 S   CO3  _C1_     7     1.53785   112.40273   -46.92264
    8     7 S   O2Z  _O11     8     1.26358   115.00236   -43.53493
    9     7 S   O2Z  _O12     9     1.26242   114.92044   135.64404
   10     5 S   CT   _CB1    10     1.53097   107.41945  -168.84326
   11    10 S   HC   HB11    11     1.09825   109.30427   -50.98488
   12    10 S   HC   HB12    12     1.09819   110.42306    65.55608
   13    10 S   CT   _CG1    13     1.53004   112.68493  -172.10477
   14    13 S   HC   HG11    14     1.09598   110.42836   -64.19533
   15    13 S   HC   HG12    15     1.09654   109.98573    55.02059
   16    13 S   C    _CD1    16     1.51820   112.34303   175.34533
   17    16 S   O    _OE1    17     1.22719   123.27816    -2.31037
   18    16 S   N    _N2_    18     1.38633   111.62063   177.98520
   19    18 S   H    _HN2    19     1.01579   119.00263     1.17470
   20    18 S   CT1  _CA2    20     1.46162   123.39257   179.83687
   21    20 S   HC   _HA2    21     1.09741   109.42750    -6.00345
   22    20 S   C    _C2_    22     1.53439   108.37124  -121.59058
   23    22 S   O    _O2_    23     1.23027   122.20780  -144.79355
   24    20 S   CT   _CB2    32     1.53373   111.57661   116.03589
   25    24 S   HC   HB21    33     1.09507   109.92658    55.79040
   26    24 S   HC   HB22    34     1.09515   110.07621   174.82744
   27    22 S   N    _N3_    24     1.38493   113.43819    42.53852
   28    27 S   H    _HN3    25     1.01509   118.96933    -0.57878
   29    24 S   S    _SG2    35     1.82623   111.67058   -65.42188
   30    27 S   CT   _CA3    26     1.45446   123.42346   174.95007
   31    30 S   HC   HA31    27     1.09523   109.23334    24.91932
   32    30 S   HC   HA32    28     1.09494   107.14029   141.93547
   33    29 S   CT   _C22    36     1.86088    99.57754  -174.60007
   34    33 S   HC   _H3_    37     1.09798   108.41643    45.22903
   35    30 S   CO3  _C3_    29     1.52925   113.04711   -98.53576
   36    35 S   O2Z  _O31    30     1.26406   115.37703   -45.27924
   37    35 S   O2Z  _O32    31     1.26349   115.00087   135.60919
   38    33 S   CA   _C19    38     1.54022   111.05940   160.51757
   39    38 S   CA   _C20    39     1.44193   121.27199   -58.50920
   40    38 S   CA   _C18    65     1.41567   119.74116   123.92140
   41    39 S   CA   _C21    40     1.41581   124.92545    -7.75699
   42    41 S   HA   _H16    41     1.08887   119.32874    -2.91967
   43    40 S   CT   _C25    66     1.51457   122.03019     7.38289
   44    43 S   HC   _H6_    67     1.09694   107.60014  -100.82217
   45    41 S   CA   _C12    42     1.40912   123.55397   178.28240
   46    43 S   CT   _C24    68     1.53399   112.34509    20.71420
   47    46 S   HC   _H5_    69     1.09690   108.48496  -175.24704
   48    43 S   OH   _O33    76     1.42935   110.63300   142.48278
   49    48 S   HO   _H17    77     0.97196   107.69310  -178.21952
   50    45 S   CA   _C11    43     1.39845   119.67097  -179.08850
   51    50 S   HA   _H12    44     1.08861   120.63046    -0.03956
   52    45 S   CA   _C13    57     1.40983   120.46121     0.89482
   53    33 S   CT   _C23    70     1.55503   109.04771   -71.03725
   54    53 S   HC   _H4_    71     1.09705   108.22406    80.13760
   55    46 S   OH   _O34    74     1.42636   110.71293    67.63253
   56    55 S   HO   _H18    75     0.97245   107.71946   177.00422
   57    50 S   CA   _C10    45     1.39102   120.99086   179.72446
   58    57 S   HA   _H11    46     1.08832   118.50923  -179.87180
   59    52 S   CA   _C14    58     1.41441   116.14696     0.89657
   60    59 S   HA   _H13    59     1.08881   119.40720   178.70336
   61    53 S   OH   _O35    72     1.43035   112.17998   -37.93632
   62    61 S   HO   _H19    73     0.97257   107.82201   172.64246
   63    57 S   CA   _C8_    47     1.39637   120.74792     0.03956
   64    39 S   CA   _C15    60     1.41091   119.29115   173.44958
   65    63 S   CA   _C9_    48     1.40548   119.49984  -179.93744
   66    65 S   HA   _H10    49     1.08853   120.51685     0.02798
   67    64 S   CA   _C16    61     1.39670   119.86536     2.64368
   68    67 S   HA   _H14    62     1.08831   120.77775  -179.67254
   69    65 S   CA   _C4_    50     1.39143   121.01865  -179.97202
   70    69 S   HA   _H7_    51     1.08585   120.18003  -180.00000
   71    67 S   CA   _C17    63     1.38907   120.76970     2.90259
   72    71 S   HA   _H15    64     1.08777   118.58452   176.86063
   73    69 S   CA   _C5_    52     1.38621   119.54971    -0.00000
   74    73 S   HA   _H8_    53     1.08629   120.10261  -179.97202
   75    73 S   CA   _C6_    54     1.39780   119.97933     0.00000
   76    75 S   HA   _H9_    55     1.08677   116.69706  -179.91607
   77    63 S   CA   _C7_    56     1.41896   119.84694     0.10087
  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
  15   7   2   1   1  17  14  14  10   4  13   7  11  10   6   4
   1   8   4  11   5   3   2   1   7   3   8   3   1   1   8   5
   7   4   3   2   6   3   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    53    54    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    64    71    40    43    46    47    53    54    61    62    55  
   38    39    40    46    53    54    61  
   36    37  
   37  
    0  
   39    41    42    45    59    64    67    71    72    40    43    44    46    53    54    61    48  
   41    42    45    50    52    59    60    64    67    68    71    40    43    53  
   43    44    46    47    53    55    48    49    41    64    67    68    71    72  
   42    45    50    51    57    77    52    59    64    67  
   45    50    52    64  
   44    46    47    53    54    61    55    56    48    49    67    71    72  
   46    47    53    55    48    49    71  
   50    51    57    58    63    75    77    52    59    60    64  
   47    53    54    61    62    55    56    48    49    71  
   53    54    61    55    56    48  
   49    53    55    71  
    0  
   51    57    58    63    65    77    52    59  
   57    58    63    52  
   59    60    64    67    57    63    65    73    75    76    77  
   54    61    62    55    56  
   61    62    55  
   56    61  
    0  
   58    63    65    66    69    75    77  
   63    65    77  
   60    64    67    68    71    63    75    77  
   64    67    77  
   62  
    0  
   65    66    69    70    73    75    76    77  
   67    68    71    72    77  
   66    69    70    73    74    75    77  
   69    70    73    77  
   68    71    72  
   71    72  
   70    73    74    75    76    77  
   73    74    75  
   72  
    0  
   74    75    76    77  
   75    76    77  
   76    77  
   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   0.222500   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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    53   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   469.000  1.400
   39    64   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   469.000  1.400
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    65   469.000  1.400
   63    77   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    52   469.000  1.400
   52    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    67   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    40   469.000  1.400
   40    43   317.000  1.510
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    55   320.000  1.410
   53    54   340.000  1.090
   53    61   320.000  1.410
   61    62   553.000  0.945
   55    56   553.000  0.945
   48    49   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    53    46    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    61    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    41    63.00000  120.00000
   38    39    64    63.00000  120.00000
   38    40    71    63.00000  120.00000
   38    40    43    70.00000  120.00000
   39    41    42    35.00000  120.00000
   39    41    45    63.00000  120.00000
   39    64    59    63.00000  120.00000
   39    64    67    63.00000  120.00000
   41    45    50    63.00000  120.00000
   41    45    52    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    57    63.00000  120.00000
   45    52    77    63.00000  120.00000
   45    52    59    63.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    63    63.00000  120.00000
   57    50    51    35.00000  120.00000
   57    63    65    63.00000  120.00000
   57    63    77    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    77    75    63.00000  120.00000
   63    77    52    63.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    73    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    52    63.00000  120.00000
   77    63    65    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    52    59    63.00000  120.00000
   52    45    50    63.00000  120.00000
   52    59    60    35.00000  120.00000
   52    59    64    63.00000  120.00000
   59    64    67    63.00000  120.00000
   64    39    41    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    40    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    40    43    70.00000  120.00000
   40    38    39    63.00000  120.00000
   40    71    72    35.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    90.00000  112.51600
   43    46    47    37.50000  110.70000
   43    46    53    58.35000  112.70000
   43    46    55    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    61    50.00000  109.50000
   46    55    56    55.00000  108.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.17500
   53    46    47    37.50000  110.70000
   53    61    62    55.00000  108.50000
   61    53    54    35.00000  109.50000
   55    46    47    35.00000  109.50000
   55    46    53    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    53    46   0.44750  1.0 1.0
   29    33    53    46  -0.17800 -1.0 2.0
   29    33    53    46   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    61   0.56750  1.0 1.0
   29    33    53    61  -0.07550 -1.0 2.0
   29    33    53    61   0.20000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    64   3.62500 -1.0 2.0
   33    38    40    71   3.62500 -1.0 2.0
   33    38    40    43   3.62500 -1.0 2.0
   33    53    61    62  -0.11600  1.0 1.0
   33    53    61    62  -0.09450 -1.0 2.0
   33    53    61    62   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    53    46   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    61   0.23400  1.0 3.0
   38    33    53    46  -0.03700  1.0 1.0
   38    33    53    46   0.37200 -1.0 2.0
   38    33    53    46  -0.47300  1.0 3.0
   38    33    53    54   0.43200  1.0 3.0
   38    33    53    61   1.13150  1.0 1.0
   38    33    53    61  -1.01400 -1.0 2.0
   38    39    41    42   3.62500 -1.0 2.0
   38    39    41    45   3.62500 -1.0 2.0
   38    39    64    59   3.62500 -1.0 2.0
   38    39    64    67   3.62500 -1.0 2.0
   38    40    43    44   0.00000  1.0 1.0
   38    40   -43    46   0.04150 -1.0 2.0
   38    40    43    48   0.14300 -1.0 2.0
   38    40    43    48   0.00300  1.0 3.0
   39    38    40    71   3.62500 -1.0 2.0
   39    38    40    43   3.62500 -1.0 2.0
   39    41    45    50   3.62500 -1.0 2.0
   39    41    45    52   3.62500 -1.0 2.0
   39    64    67    68   3.62500 -1.0 2.0
   39    64   -67    71   3.62500 -1.0 2.0
   41    39    64    59   3.62500 -1.0 2.0
   41    39    64    67   3.62500 -1.0 2.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    57   3.62500 -1.0 2.0
   41    45    52    77   3.62500 -1.0 2.0
   41    45   -52    59   3.62500 -1.0 2.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    63   3.62500 -1.0 2.0
   45    52    59    60   3.62500 -1.0 2.0
   45    52    59    64   3.62500 -1.0 2.0
   50    45    52    77   3.62500 -1.0 2.0
   50    45    52    59   3.62500 -1.0 2.0
   50    57    63    65   3.62500 -1.0 2.0
   50    57   -63    77   3.62500 -1.0 2.0
   51    50    57    58   3.62500 -1.0 2.0
   51    50    57    63   3.62500 -1.0 2.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    69   3.62500 -1.0 2.0
   57    63    77    75   3.62500 -1.0 2.0
   57    63    77    52   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   58    57    63    77   3.62500 -1.0 2.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    73   3.62500 -1.0 2.0
   63    77   -52    45   3.62500 -1.0 2.0
   63    77    52    59   3.62500 -1.0 2.0
   65    63    77    75   3.62500 -1.0 2.0
   65    63    77    52   3.62500 -1.0 2.0
   65    69    73    74   3.62500 -1.0 2.0
   65    69   -73    75   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    73   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73    75    77   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    75   -77    63   3.62500 -1.0 2.0
   73    75    77    52   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    52    45   3.62500 -1.0 2.0
   75    77    52    59   3.62500 -1.0 2.0
   76    75    77    63   3.62500 -1.0 2.0
   76    75    77    52   3.62500 -1.0 2.0
   77    63    65    66   3.62500 -1.0 2.0
   77    63   -65    69   3.62500 -1.0 2.0
   77    52    59    60   3.62500 -1.0 2.0
   77    52    59    64   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45   -50    57   3.62500 -1.0 2.0
   52    59   -64    39   3.62500 -1.0 2.0
   52    59    64    67   3.62500 -1.0 2.0
   59    64    67    68   3.62500 -1.0 2.0
   59    64    67    71   3.62500 -1.0 2.0
   60    59    64    39   3.62500 -1.0 2.0
   60    59    64    67   3.62500 -1.0 2.0
   64    39    41    42   3.62500 -1.0 2.0
   64    39   -41    45   3.62500 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    40   3.62500 -1.0 2.0
   67    71   -40    38   3.62500 -1.0 2.0
   67    71    40    43   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    40   3.62500 -1.0 2.0
   71    40    43    44   0.00000  1.0 1.0
   71    40    43    46   0.04150 -1.0 2.0
   71    40    43    48   0.14300 -1.0 2.0
   71    40    43    48   0.00300  1.0 3.0
   72    71    40    38   3.62500 -1.0 2.0
   72    71    40    43   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38   -39    64   3.62500 -1.0 2.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    53  -0.03700  1.0 1.0
   40    43    46    53   0.37200 -1.0 2.0
   40    43    46    53  -0.47300  1.0 3.0
   40    43    46    55   1.13150  1.0 1.0
   40    43    46    55  -1.01400 -1.0 2.0
   40    43    48    49   0.31900  1.0 1.0
   40    43    48    49  -0.11800 -1.0 2.0
   40    43    48    49   0.38750  1.0 3.0
   43    46   -53    33   0.56750  1.0 1.0
   43    46   -53    33  -0.07550 -1.0 2.0
   43    46   -53    33   0.20000  1.0 3.0
   43    46    53    54   0.15000  1.0 3.0
   43    46    53    61   0.86500  1.0 1.0
   43    46    53    61  -0.17500 -1.0 2.0
   43    46    53    61   0.20800  1.0 3.0
   43    46    55    56  -0.11600  1.0 1.0
   43    46    55    56  -0.09450 -1.0 2.0
   43    46    55    56   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    53   0.15000  1.0 3.0
   44    43    46    55   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    53    61    62  -0.11600  1.0 1.0
   46    53    61    62  -0.09450 -1.0 2.0
   46    53    61    62   0.21250  1.0 3.0
   47    46    53    33   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    61   0.23400  1.0 3.0
   47    46    55    56   0.19450  1.0 3.0
   53    33    38    39   0.04150 -1.0 2.0
   53    33   -38    40   0.04150 -1.0 2.0
   53    46    55    56  -0.11600  1.0 1.0
   53    46    55    56  -0.09450 -1.0 2.0
   53    46    55    56   0.21250  1.0 3.0
   54    53    61    62   0.19450  1.0 3.0
   55    46    53    33   0.86500  1.0 1.0
   55    46    53    33  -0.17500 -1.0 2.0
   55    46    53    33   0.20800  1.0 3.0
   55    46    53    54   0.23400  1.0 3.0
   55    46    53    61   3.75450  1.0 1.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   0.86500  1.0 1.0
   48    43    46    53  -0.17500 -1.0 2.0
   48    43    46    53   0.20800  1.0 3.0
   48    43    46    55   3.75450  1.0 1.0
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    64    39    38   4.00000 -1.0 2.0
   45    42    41    39   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   57    51    50    45   1.10000 -1.0 2.0
   63    58    57    50   1.10000 -1.0 2.0
   65    77    63    57   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   73    70    69    65   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    52    77    63   4.00000 -1.0 2.0
   77    59    52    45   4.00000 -1.0 2.0
   64    60    59    52   1.10000 -1.0 2.0
   59    67    64    39   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   40    72    71    67   1.10000 -1.0 2.0
   71    43    40    38   4.00000 -1.0 2.0
END
