* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    229     415
    1     0 S   NP   _N1_     1    29.22975    98.63977   -19.09801
    2     1 S   H    _HN1     2     1.02780    82.15704   -99.61302
    3     1 S   H    _H1_     3     1.02949    61.76158    16.24236
    4     1 S   H    _H2_     4     1.02824    63.59016   145.83520
    5     1 S   CT   _CA1     5     1.50128   165.55463    76.11021
    6     5 S   HC   _HA1     6     1.09563   105.18521   123.12646
    7     5 S   CO3  _C1_     7     1.53841   112.56960     2.87303
    8     7 S   O2Z  _O11     8     1.26380   114.95017   -37.45937
    9     7 S   O2Z  _O12     9     1.26246   114.99983   141.70008
   10     5 S   CT   _CB1    10     1.53084   107.42432  -118.69280
   11    10 S   HC   HB11    11     1.09828   109.56901   -47.64874
   12    10 S   HC   HB12    12     1.09816   110.33833    69.05589
   13    10 S   CT   _CG1    13     1.52948   112.55043  -168.55786
   14    13 S   HC   HG11    14     1.09482   110.52445   -64.61785
   15    13 S   HC   HG12    15     1.09656   109.81803    54.61202
   16    13 S   C    _CD1    16     1.51736   112.28519   175.38943
   17    16 S   O    _OE1    17     1.22732   123.25621     9.18949
   18    16 S   N    _N2_    18     1.38642   111.69906  -171.43652
   19    18 S   H    _HN2    19     1.01606   118.94382     2.38573
   20    18 S   CT1  _CA2    20     1.46261   123.37356   179.54544
   21    20 S   HC   _HA2    21     1.09729   109.36626     2.01315
   22    20 S   C    _C2_    22     1.53442   108.87174  -113.73629
   23    22 S   O    _O2_    23     1.23059   122.20922  -148.62275
   24    20 S   CT   _CB2    32     1.53323   111.25218   123.85817
   25    24 S   HC   HB21    33     1.09331   109.49720    59.74612
   26    24 S   HC   HB22    34     1.09524   110.44464   177.85671
   27    22 S   N    _N3_    24     1.38302   113.70874    38.82275
   28    27 S   H    _HN3    25     1.01595   119.57212    -3.46034
   29    24 S   S    _SG2    35     1.83031   110.90149   -63.01977
   30    27 S   CT   _CA3    26     1.45285   123.20194   177.09202
   31    30 S   HC   HA31    27     1.09550   107.52236   -64.17568
   32    30 S   HC   HA32    28     1.09557   107.96622    52.25421
   33    29 S   CT   _C23    36     1.88957   101.31470   148.54363
   34    30 S   CO3  _C3_    29     1.52956   114.08900   174.23887
   35    34 S   O2Z  _O31    30     1.26375   116.06985    -0.74230
   36    34 S   O2Z  _O32    31     1.26429   114.41576   179.31357
   37    33 S   CA   _C11    37     1.56472   109.46778    56.67069
   38    33 S   CO4  _C20    58     1.54442   108.40427   177.39105
   39    38 S   O    _O25    59     1.22891   123.98696  -124.10525
   40    33 S   CT   _C22    70     1.55074   106.64683   -72.93112
   41    40 S   HC   _H35    71     1.09866   110.72860  -176.01513
   42    40 S   HC   _H36    72     1.09533   111.66325    63.64036
   43    37 S   CA   _C13    38     1.43109   121.42395    57.37756
   44    38 S   CA   _C8_    60     1.48351   117.98481    59.42091
   45    43 S   CA   _C4_    39     1.41179   120.30767  -178.89447
   46    45 S   HA   _H30    40     1.08986   118.73846   178.57976
   47    43 S   CT   _C25    54     1.51266   125.82504    -2.14940
   48    47 S   HC   _H40    55     1.09499   109.71257   -95.11411
   49    47 S   HC   _H41    56     1.08858   114.31866    27.53972
   50    47 S   HC   _H42    57     1.09675   110.33896   145.98722
   51    44 S   CA   _C5_    61     1.40084   118.94796  -153.34773
   52    51 S   HA   _H31    62     1.08800   120.30947     0.23407
   53    45 S   CA   _C7_    41     1.39217   121.82160    -1.33896
   54    51 S   CA   _C12    63     1.39915   120.22940   179.50189
   55    53 S   CA   _C9_    42     1.38970   119.62501     0.49456
   56    54 S   CA   _C6_    64     1.39931   119.10232    -0.98079
   57    56 S   HA   _H32    65     1.08810   119.97673  -178.75086
   58    54 S   CT   _C24    75     1.49926   120.43504  -178.10690
   59    58 S   HC   _H37    76     1.09432   109.99727    88.21112
   60    58 S   HC   _H38    77     1.09510   110.92777  -151.29405
   61    58 S   HC   _H39    78     1.09510   110.90381   -32.28644
   62    37 S   CA   _C15    43     1.42590   122.39399  -122.86625
   63    55 S   CO4  _C19    46     1.48691   118.68716  -179.98022
   64    63 S   O    _O24    47     1.22557   121.98261   179.82983
   65    56 S   CA   _C14    66     1.39739   120.54796     1.49358
   66    62 S   OH   _O28    44     1.37136   118.49109    -0.01978
   67    66 S   HO   _H44    45     0.97276   110.59760  -179.64447
   68    63 S   CM   _C17    48     1.47601   118.51155    -0.15577
   69    68 S   HC   _H34    49     1.08464   117.20847  -179.94405
   70    44 S   CA   _C10    67     1.39824   120.38576    26.51478
   71    65 S   OH   _O27    73     1.36760   115.92568   179.19449
   72    71 S   HO   _H43    74     0.97409   109.57522   178.88513
   73    68 S   CM   _C16    50     1.33198   121.97657     0.04846
   74    73 S   HC   _H33    51     1.08424   121.12600  -179.97202
   75    70 S   CO4  _C21    68     1.48273   118.92063     2.16483
   76    75 S   O    _O26    69     1.22740   120.74757   179.35290
   77    53 S   CO4  _C18    52     1.47781   118.67393  -179.67076
   78    77 S   O    _O23    53     1.22490   121.95652     0.04423
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  20  13   4   9   4   3  11  10  12   4   5   2
   1   1  11   4  10   9  10  10   4   4   2   1   1   6   7   3
   5   1   1   5   3   4   2   1   3   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    62    38    39    44    75    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    45    55    62    66    47    38    39    44    51    70    75    76    40    41    42  
   35    36  
   36  
    0  
   43    45    46    53    55    62    66    67    63    47    48    49    50    38    39    44    75    40    41    42  
   39    44    51    52    54    65    70    75    40    41    42    43    62  
   44    51    70    40  
   41    42    43    44    62    65    70    75    76  
   42    70    75    76  
   70    75    76  
   45    46    53    55    62    66    77    47    48    49    50  
   51    52    54    56    65    70    75    76    71    58  
   46    53    55    62    63    73    77    78    47    48    49    50  
   53    55    77    47  
   48    49    50    53    62  
   49    50  
   50  
    0  
   52    54    56    57    65    70    75    58    59    60    61  
   54    56    70    58  
   55    62    66    63    64    68    73    74    77    78  
   56    57    65    70    71    58    59    60    61  
   62    66    67    63    64    68    69    73    77    78  
   57    65    70    75    71    72    58    59    60    61  
   65    70    71    58  
   59    60    61    65  
   60    61  
   61  
    0  
   66    67    63    64    68    77  
   64    68    69    73    74    77    66  
   68    69    73  
   70    75    76    71    72  
   67  
    0  
   69    73    74    77    78  
   73    74    77  
   75    76    71    72  
   72    75  
    0  
   74    77    78  
   77    78  
   76  
    0  
   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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   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  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.065000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.522
   33    40   268.000  1.529
   37    43   469.000  1.400
   37    62   469.000  1.400
   43    45   469.000  1.400
   43    47   317.000  1.510
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    55   469.000  1.400
   53    77   310.000  1.470
   55    62   469.000  1.400
   55    63   310.000  1.470
   62    66   450.000  1.364
   66    67   553.000  0.945
   63    64   570.000  1.229
   63    68   320.000  1.462
   68    69   340.000  1.080
   68    73   549.000  1.340
   73    74   340.000  1.080
   73    77   320.000  1.462
   77    78   570.000  1.229
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    39   570.000  1.229
   38    44   310.000  1.470
   44    51   469.000  1.400
   44    70   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    56   469.000  1.400
   54    58   317.000  1.510
   56    57   367.000  1.080
   56    65   469.000  1.400
   65    70   469.000  1.400
   65    71   450.000  1.364
   70    75   310.000  1.470
   75    76   570.000  1.229
   75    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   71    72   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    37    43    70.00000  120.00000
   33    37    62    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    44    65.00000  115.47100
   33    40    75    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    45    63.00000  120.00000
   37    43    47    70.00000  120.00000
   37    62    55    63.00000  120.00000
   37    62    66    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    53    63.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   45    53    55    63.00000  120.00000
   45    53    77    60.00000  119.52600
   53    45    46    35.00000  120.00000
   53    55    62    63.00000  120.00000
   53    55    63    60.00000  119.52600
   53    77    73    65.00000  117.02400
   53    77    78    75.00000  123.78400
   55    62    66    70.00000  120.00000
   55    63    64    75.00000  123.78400
   55    63    68    65.00000  117.02400
   62    37    43    63.00000  120.00000
   62    66    67    35.00000  113.00000
   63    55    62    60.00000  119.52600
   63    68    69    40.00000  117.72500
   63    68    73    65.00000  118.96000
   68    63    64    80.00000  123.72100
   68    73    74    35.00000  120.00000
   68    73    77    65.00000  118.96000
   73    68    69    35.00000  120.00000
   73    77    78    80.00000  123.72100
   77    53    55    60.00000  119.52600
   77    73    74    40.00000  117.72500
   47    43    45    70.00000  120.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    70.00000  110.93000
   38    44    51    60.00000  119.52600
   38    44    70    60.00000  119.52600
   44    38    39    75.00000  123.78400
   44    51    52    35.00000  120.00000
   44    51    54    63.00000  120.00000
   44    70    65    63.00000  120.00000
   44    70    75    60.00000  119.52600
   51    54    56    63.00000  120.00000
   51    54    58    70.00000  120.00000
   54    51    52    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    65    63.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   56    65    70    63.00000  120.00000
   56    65    71    70.00000  120.00000
   65    56    57    35.00000  120.00000
   65    70    75    60.00000  119.52600
   65    71    72    35.00000  113.00000
   70    44    51    63.00000  120.00000
   70    75    76    75.00000  123.78400
   70    75    40    65.00000  115.47100
   75    40    41    35.00000  109.50000
   75    40    42    35.00000  109.50000
   40    33    37    70.00000  112.17500
   40    33    38    63.00000  111.10000
   40    75    76    80.00000  120.40000
   42    40    41    33.00000  107.80000
   71    65    70    70.00000  120.00000
   58    54    56    70.00000  120.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    37    62  -0.16000  1.0 1.0
   29    33    37    62  -0.03200 -1.0 2.0
   29    33    37    62   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    44   0.65300  1.0 1.0
   29    33    38    44  -0.03850 -1.0 2.0
   29    33    38    44   0.33900  1.0 3.0
   29    33    40    75   0.56750  1.0 1.0
   29    33    40    75  -0.07550 -1.0 2.0
   29    33    40    75   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    45   3.62500 -1.0 2.0
   33    37    43    47   3.62500 -1.0 2.0
   33    37    62    55   3.62500 -1.0 2.0
   33    37    62    66   3.62500 -1.0 2.0
   33    38    44    51   2.26350  1.0 1.0
   33    38    44    51   0.76750 -1.0 2.0
   33    38    44    51   0.22500  1.0 3.0
   33    38    44    70   2.26350  1.0 1.0
   33    38    44    70   0.76750 -1.0 2.0
   33    38    44    70   0.22500  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    44   0.65300  1.0 1.0
   37    33    38    44  -0.03850 -1.0 2.0
   37    33    38    44   0.33900  1.0 3.0
   37    33    40    75   0.56750  1.0 1.0
   37    33    40    75  -0.07550 -1.0 2.0
   37    33    40    75   0.20000  1.0 3.0
   37    33    40    41   0.43200  1.0 3.0
   37    33    40    42   0.43200  1.0 3.0
   37    43    45    46   3.62500 -1.0 2.0
   37    43    45    53   3.62500 -1.0 2.0
   37    43    47    48   0.00000  1.0 1.0
   37    43    47    49   0.00000  1.0 1.0
   37    43    47    50   0.00000  1.0 1.0
   37    62    66    67   0.84100 -1.0 2.0
   43    37    62    55   3.62500 -1.0 2.0
   43    37    62    66   3.62500 -1.0 2.0
   43    45   -53    55   3.62500 -1.0 2.0
   43    45    53    77   3.62500 -1.0 2.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    49   0.00000  1.0 1.0
   45    43    47    50   0.00000  1.0 1.0
   45    53    55    62   3.62500 -1.0 2.0
   45    53    55    63   3.62500 -1.0 2.0
   45    53    77    73  -0.11500  1.0 1.0
   45    53    77    73   1.10450 -1.0 2.0
   45    53    77    73  -0.48050  1.0 3.0
   45    53    77    78   1.05000 -1.0 2.0
   46    45    53    55   3.62500 -1.0 2.0
   46    45    53    77   3.62500 -1.0 2.0
   53    55   -62    37   3.62500 -1.0 2.0
   53    55    62    66   3.62500 -1.0 2.0
   53    55    63    64   1.05000 -1.0 2.0
   53    55    63    68  -0.11500  1.0 1.0
   53    55    63    68   1.10450 -1.0 2.0
   53    55    63    68  -0.48050  1.0 3.0
   55    53    77    73  -0.11500  1.0 1.0
   55    53    77    73   1.10450 -1.0 2.0
   55    53    77    73  -0.48050  1.0 3.0
   55    53    77    78   1.05000 -1.0 2.0
   55    62    66    67   0.84100 -1.0 2.0
   55    63    68    69   1.64500 -1.0 2.0
   55    63   -68    73  -1.65800  1.0 1.0
   55    63   -68    73   0.77650 -1.0 2.0
   62    37   -43    45   3.62500 -1.0 2.0
   62    37    43    47   3.62500 -1.0 2.0
   62    55    63    64   1.05000 -1.0 2.0
   62    55    63    68  -0.11500  1.0 1.0
   62    55    63    68   1.10450 -1.0 2.0
   62    55    63    68  -0.48050  1.0 3.0
   63    55    62    37   3.62500 -1.0 2.0
   63    55    62    66   3.62500 -1.0 2.0
   63    68    73    74   7.00000 -1.0 2.0
   63    68    73    77   7.00000 -1.0 2.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    73   1.00000 -1.0 2.0
   68    73   -77    53  -1.65800  1.0 1.0
   68    73   -77    53   0.77650 -1.0 2.0
   68    73    77    78   1.00000 -1.0 2.0
   69    68    73    74   7.00000 -1.0 2.0
   69    68    73    77   7.00000 -1.0 2.0
   74    73    77    53   1.64500 -1.0 2.0
   74    73    77    78   0.00000  1.0 1.0
   77    53    55    62   3.62500 -1.0 2.0
   77    53   -55    63   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    53   3.62500 -1.0 2.0
   38    33    37    43   0.04300 -1.0 2.0
   38    33    37    62   0.04300 -1.0 2.0
   38    33    40    75   0.11950  1.0 1.0
   38    33    40    75   0.20300 -1.0 2.0
   38    33    40    75  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    44    51    52   3.62500 -1.0 2.0
   38    44    51    54   3.62500 -1.0 2.0
   38    44    70    65   3.62500 -1.0 2.0
   38    44   -70    75   3.62500 -1.0 2.0
   39    38    44    51   1.05000 -1.0 2.0
   39    38    44    70   1.05000 -1.0 2.0
   44    51    54    56   3.62500 -1.0 2.0
   44    51    54    58   3.62500 -1.0 2.0
   44    70    75    76   1.05000 -1.0 2.0
   44    70    75    40   2.26350  1.0 1.0
   44    70    75    40   0.76750 -1.0 2.0
   44    70    75    40   0.22500  1.0 3.0
   51    44    70    65   3.62500 -1.0 2.0
   51    44    70    75   3.62500 -1.0 2.0
   51    54    56    57   3.62500 -1.0 2.0
   51    54   -56    65   3.62500 -1.0 2.0
   51    54    58    59   0.00000  1.0 1.0
   51    54    58    60   0.00000  1.0 1.0
   51    54    58    61   0.00000  1.0 1.0
   52    51    54    56   3.62500 -1.0 2.0
   52    51    54    58   3.62500 -1.0 2.0
   54    56    65    70   3.62500 -1.0 2.0
   54    56    65    71   3.62500 -1.0 2.0
   56    54    58    59   0.00000  1.0 1.0
   56    54    58    60   0.00000  1.0 1.0
   56    54    58    61   0.00000  1.0 1.0
   56    65   -70    44   3.62500 -1.0 2.0
   56    65    70    75   3.62500 -1.0 2.0
   56    65    71    72   0.84100 -1.0 2.0
   57    56    65    70   3.62500 -1.0 2.0
   57    56    65    71   3.62500 -1.0 2.0
   65    70    75    76   1.05000 -1.0 2.0
   65    70    75    40   2.26350  1.0 1.0
   65    70    75    40   0.76750 -1.0 2.0
   65    70    75    40   0.22500  1.0 3.0
   70    44    51    52   3.62500 -1.0 2.0
   70    44   -51    54   3.62500 -1.0 2.0
   70    65    71    72   0.84100 -1.0 2.0
   70    75   -40    33   0.05850 -1.0 2.0
   70    75   -40    33   0.17250  1.0 3.0
   70    75    40    41   0.00000  1.0 1.0
   70    75    40    42   0.00000  1.0 1.0
   76    75    40    33   0.30150 -1.0 2.0
   76    75    40    41   0.00000  1.0 1.0
   76    75    40    42   0.00000  1.0 1.0
   40    33    37    43   0.04150 -1.0 2.0
   40    33    37    62   0.04150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    44   0.05850 -1.0 2.0
   40    33   -38    44   0.17250  1.0 3.0
   71    65    70    44   3.62500 -1.0 2.0
   71    65    70    75   3.62500 -1.0 2.0
   58    54    56    57   3.62500 -1.0 2.0
   58    54    56    65   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   43    62    37    33   4.00000 -1.0 2.0
   45    47    43    37   4.00000 -1.0 2.0
   53    46    45    43   1.10000 -1.0 2.0
   55    77    53    45   4.00000 -1.0 2.0
   62    63    55    53   4.00000 -1.0 2.0
   55    66    62    37   4.00000 -1.0 2.0
   55    68    63    64  10.50000 -1.0 2.0
   63    69    68    73   1.10000 -1.0 2.0
   77    74    73    68   1.10000 -1.0 2.0
   53    73    77    78  10.50000 -1.0 2.0
   33    44    38    39  10.50000 -1.0 2.0
   51    70    44    38   4.00000 -1.0 2.0
   54    52    51    44   1.10000 -1.0 2.0
   56    58    54    51   4.00000 -1.0 2.0
   65    57    56    54   1.10000 -1.0 2.0
   70    71    65    56   4.00000 -1.0 2.0
   65    75    70    44   4.00000 -1.0 2.0
   70    40    75    76  10.50000 -1.0 2.0
END
