* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    227     413
    1     0 S   NP   _N1_     1    28.79762    95.68645   -20.91906
    2     1 S   H    _HN1     2     1.02834    38.52805   159.06075
    3     1 S   H    _H1_     3     1.02789    90.90796   -82.76841
    4     1 S   H    _H2_     4     1.02954    80.55705    25.65631
    5     1 S   CT   _CA1     5     1.50083   148.12218   139.46907
    6     5 S   HC   _HA1     6     1.09573   105.24306    72.02953
    7     5 S   CO3  _C1_     7     1.53687   112.43608   -48.27784
    8     7 S   O2Z  _O11     8     1.26351   115.02389   -44.84819
    9     7 S   O2Z  _O12     9     1.26227   114.92456   134.36702
   10     5 S   CT   _CB1    10     1.53046   107.46095  -170.01125
   11    10 S   HC   HB11    11     1.09829   109.28115   -50.87446
   12    10 S   HC   HB12    12     1.09820   110.48729    65.69049
   13    10 S   CT   _CG1    13     1.52998   112.63000  -171.93155
   14    13 S   HC   HG11    14     1.09596   110.56288   -65.62832
   15    13 S   HC   HG12    15     1.09662   109.90657    53.65025
   16    13 S   C    _CD1    16     1.51763   112.17424   174.00089
   17    16 S   O    _OE1    17     1.22732   123.27168     3.45695
   18    16 S   N    _N2_    18     1.38595   111.67800  -176.66387
   19    18 S   H    _HN2    19     1.01613   119.05664     0.92514
   20    18 S   CT1  _CA2    20     1.46224   123.32406   178.58252
   21    20 S   HC   _HA2    21     1.09734   109.40617    -5.01653
   22    20 S   C    _C2_    22     1.53406   108.52392  -120.53688
   23    22 S   O    _O2_    23     1.23037   122.33314  -148.11333
   24    20 S   CT   _CB2    32     1.53224   111.32237   117.00182
   25    24 S   HC   HB21    33     1.09440   109.79720    57.34588
   26    24 S   HC   HB22    34     1.09519   110.67858   175.52018
   27    22 S   N    _N3_    24     1.38359   113.53319    39.43779
   28    27 S   H    _HN3    25     1.01624   119.51976    -3.70475
   29    24 S   S    _SG2    35     1.82898   111.27747   -65.49325
   30    27 S   CT   _CA3    26     1.45284   123.14489   176.94533
   31    30 S   HC   HA31    27     1.09552   107.55535   -63.14855
   32    30 S   HC   HA32    28     1.09558   107.91466    53.25668
   33    29 S   CT   _C23    36     1.82951   100.06114   142.87317
   34    33 S   HC   _H3_    37     1.09580   109.07905    41.07321
   35    30 S   CO3  _C3_    29     1.52941   114.13173   175.22390
   36    35 S   O2Z  _O31    30     1.26369   116.06885    -0.49575
   37    35 S   O2Z  _O32    31     1.26432   114.41162   179.54803
   38    33 S   CO4  _C20    38     1.51259   108.79780   -77.69533
   39    38 S   O    _O25    39     1.22853   121.59261    91.49344
   40    33 S   CT   _C22    49     1.51891   111.01659   159.96957
   41    40 S   HC   _H34    50     1.09668   110.70383   -52.20920
   42    40 S   HC   _H35    51     1.09751   110.16472  -170.49010
   43    38 S   CA   _C8_    40     1.48607   118.24586   -86.11560
   44    43 S   CA   _C5_    41     1.40162   118.38134   170.05315
   45    44 S   HA   _H31    42     1.08870   120.01134     1.39072
   46    44 S   CA   _C13    43     1.40317   121.10011  -178.48096
   47    46 S   CA   _C11    44     1.40940   119.11612     0.16551
   48    46 S   CT   _C25    75     1.50578   118.80757  -177.87846
   49    48 S   HC   _H40    76     1.09460   110.04150   107.40590
   50    48 S   HC   _H41    77     1.09385   111.10455  -131.33940
   51    48 S   HC   _H42    78     1.09524   111.44068   -12.12032
   52    47 S   CA   _C15    45     1.41037   119.49101    -0.37587
   53    47 S   CM   _C17    54     1.47800   120.73681  -179.86730
   54    43 S   CA   _C10    46     1.39831   121.47494    -9.04453
   55    52 S   OH   _O28    52     1.37430   116.99519  -179.18028
   56    55 S   HO   _H44    53     0.97348   109.33952  -178.27070
   57    53 S   CM   _C16    55     1.33845   119.02749   -95.45662
   58    57 S   HC   _H33    56     1.08637   121.62410     0.18557
   59    54 S   CO4  _C21    47     1.48586   119.45907    -3.97503
   60    59 S   O    _O26    48     1.22723   120.95262   171.43753
   61    57 S   CO4  _C19    57     1.47540   122.46325  -179.87805
   62    61 S   O    _O24    58     1.22552   120.13304   179.45788
   63    61 S   CA   _C9_    59     1.47799   118.21451    -0.47806
   64    63 S   CA   _C7_    60     1.39771   119.58158     0.53339
   65    64 S   CA   _C4_    61     1.40340   120.23487   179.92598
   66    65 S   HA   _H30    62     1.08826   120.35597  -179.53648
   67    53 S   CO4  _C18    73     1.48638   120.22450    84.85725
   68    67 S   O    _O23    74     1.22618   121.29835     0.37587
   69    65 S   CA   _C12    63     1.39977   120.60999     0.52190
   70    69 S   CA   _C6_    64     1.39768   119.05087    -1.21466
   71    70 S   HA   _H32    65     1.08787   120.02672  -178.85243
   72    69 S   CT   _C24    69     1.49929   120.43514  -178.49403
   73    72 S   HC   _H37    70     1.09432   109.99678    87.74559
   74    72 S   HC   _H38    71     1.09511   110.94562  -151.77008
   75    72 S   HC   _H39    72     1.09510   110.89662   -32.76254
   76    63 S   CA   _C14    66     1.40233   121.42170  -179.74359
   77    76 S   OH   _O27    67     1.36936   123.42931    -0.05935
   78    77 S   HO   _H43    68     0.97391   108.94472     0.23985
  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
  11   7   2   1   1  11   4   7   4   3  10  11   4  11  16   5
   2   1   1   8  11   4   2   1   8   4   1   1   8   3  11   9
  11   4   3   1   8   8   3   4   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    59    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    54    59    60    40    41    42  
   38    39    43    59    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    52    54    59    40    41    42  
   43    44    54    40  
   41    42    43    52    54    59    60  
   42    54    59    60  
   54    59    60  
   44    45    46    47    52    54    59    60    55    48  
   45    46    47    52    54    59    53    48    49    50    51  
   46    47    54    48  
   47    52    54    55    53    57    67    48    49    50    51  
   52    54    59    55    56    53    57    58    61    64    67    68    48    49    50    51  
   49    50    51    52    53  
   50    51  
   51  
    0  
   54    59    60    55    56    53    57    67  
   57    58    61    62    63    64    65    67    68    54    55  
   59    60    55    56  
   56    59  
    0  
   58    61    62    63    64    76    67    68  
   61    62    63    67  
   60  
    0  
   62    63    64    65    70    76    77    67  
   63    64    76  
   64    65    66    69    70    71    76    77    78    67    68  
   65    66    69    70    76    77    72    67    68  
   66    69    70    71    76    72    73    74    75    67    68  
   69    70    72    67  
   68    69    76  
    0  
   70    71    76    77    72    73    74    75  
   71    76    77    78    72    73    74    75  
   76    77    72  
   73    74    75    76  
   74    75  
   75  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   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   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   310.000  1.470
   43    44   469.000  1.400
   43    54   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   469.000  1.400
   46    48   317.000  1.510
   47    52   469.000  1.400
   47    53   320.000  1.460
   52    54   469.000  1.400
   52    55   450.000  1.364
   54    59   310.000  1.470
   59    60   570.000  1.229
   59    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   55    56   553.000  0.945
   53    57   549.000  1.340
   53    67   320.000  1.462
   57    58   340.000  1.080
   57    61   320.000  1.462
   61    62   570.000  1.229
   61    63   310.000  1.470
   63    64   469.000  1.400
   63    76   469.000  1.400
   64    65   469.000  1.400
   64    67   310.000  1.470
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    72   317.000  1.510
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   67    68   570.000  1.229
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    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    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  115.47100
   33    40    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    60.00000  119.52600
   38    43    54    60.00000  119.52600
   43    38    39    75.00000  123.78400
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    54    52    63.00000  120.00000
   43    54    59    60.00000  119.52600
   44    46    47    63.00000  120.00000
   44    46    48    70.00000  120.00000
   46    44    45    35.00000  120.00000
   46    47    52    63.00000  120.00000
   46    47    53    60.00000  118.70000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    35.00000  109.50000
   47    52    54    63.00000  120.00000
   47    52    55    70.00000  120.00000
   47    53    57    60.00000  123.66000
   47    53    67    60.00000  124.00000
   52    54    59    60.00000  119.52600
   52    55    56    35.00000  113.00000
   54    43    44    63.00000  120.00000
   54    59    60    75.00000  123.78400
   54    59    40    65.00000  115.47100
   59    40    41    35.00000  109.50000
   59    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    59    60    80.00000  120.40000
   42    40    41    33.00000  107.80000
   55    52    54    70.00000  120.00000
   53    47    52    60.00000  118.70000
   53    57    58    35.00000  120.00000
   53    57    61    65.00000  118.96000
   53    67    64    65.00000  117.02400
   53    67    68    80.00000  123.72100
   57    61    62    80.00000  123.72100
   57    61    63    65.00000  117.02400
   61    57    58    40.00000  117.72500
   61    63    64    60.00000  119.52600
   61    63    76    60.00000  119.52600
   63    61    62    75.00000  123.78400
   63    64    65    63.00000  120.00000
   63    64    67    60.00000  119.52600
   63    76    70    63.00000  120.00000
   63    76    77    70.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    69    63.00000  120.00000
   64    67    68    75.00000  123.78400
   65    69    70    63.00000  120.00000
   65    69    72    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    76    63.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   70    76    77    70.00000  120.00000
   76    63    64    63.00000  120.00000
   76    70    71    35.00000  120.00000
   76    77    78    35.00000  113.00000
   72    69    70    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   67    53    57    65.00000  118.96000
   67    64    65    60.00000  119.52600
   48    46    47    70.00000  120.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    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   0.01700  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    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    59   0.56750  1.0 1.0
   29    33    40    59  -0.07550 -1.0 2.0
   29    33    40    59   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    38    43    44   2.26350  1.0 1.0
   33    38    43    44   0.76750 -1.0 2.0
   33    38    43    44   0.22500  1.0 3.0
   33    38    43    54   2.26350  1.0 1.0
   33    38    43    54   0.76750 -1.0 2.0
   33    38    43    54   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    59  -0.11250  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    59   0.11950  1.0 1.0
   38    33    40    59   0.20300 -1.0 2.0
   38    33    40    59  -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    43    44    45   3.62500 -1.0 2.0
   38    43    44    46   3.62500 -1.0 2.0
   38    43    54    52   3.62500 -1.0 2.0
   38    43   -54    59   3.62500 -1.0 2.0
   39    38    43    44   1.05000 -1.0 2.0
   39    38    43    54   1.05000 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    54    59    60   1.05000 -1.0 2.0
   43    54    59    40   2.26350  1.0 1.0
   43    54    59    40   0.76750 -1.0 2.0
   43    54    59    40   0.22500  1.0 3.0
   44    43    54    52   3.62500 -1.0 2.0
   44    43    54    59   3.62500 -1.0 2.0
   44    46   -47    52   3.62500 -1.0 2.0
   44    46    47    53   3.62500 -1.0 2.0
   44    46    48    49   0.00000  1.0 1.0
   44    46    48    50   0.00000  1.0 1.0
   44    46    48    51   0.00000  1.0 1.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    47    52    54   3.62500 -1.0 2.0
   46    47    52    55   3.62500 -1.0 2.0
   46    47    53    57   0.15800  1.0 1.0
   46    47    53    57   1.85350 -1.0 2.0
   46    47    53    57  -0.48700  1.0 3.0
   46    47    53    67  -0.01750  1.0 1.0
   46    47    53    67  -0.32000 -1.0 2.0
   46    47    53    67   0.00600  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.00000  1.0 1.0
   47    52   -54    43   3.62500 -1.0 2.0
   47    52    54    59   3.62500 -1.0 2.0
   47    52    55    56   0.84100 -1.0 2.0
   47    53    57    58   7.00000 -1.0 2.0
   47    53    57    61   7.00000 -1.0 2.0
   47    53    67    64   1.50000 -1.0 2.0
   47    53    67    68  -0.52200  1.0 1.0
   47    53    67    68   0.82950 -1.0 2.0
   52    47    53    57   0.15800  1.0 1.0
   52    47    53    57   1.85350 -1.0 2.0
   52    47    53    57  -0.48700  1.0 3.0
   52    47    53    67  -0.01750  1.0 1.0
   52    47    53    67  -0.32000 -1.0 2.0
   52    47    53    67   0.00600  1.0 3.0
   52    54    59    60   1.05000 -1.0 2.0
   52    54    59    40   2.26350  1.0 1.0
   52    54    59    40   0.76750 -1.0 2.0
   52    54    59    40   0.22500  1.0 3.0
   54    43    44    45   3.62500 -1.0 2.0
   54    43   -44    46   3.62500 -1.0 2.0
   54    52    55    56   0.84100 -1.0 2.0
   54    59   -40    33   0.05850 -1.0 2.0
   54    59   -40    33   0.17250  1.0 3.0
   54    59    40    41   0.00000  1.0 1.0
   54    59    40    42   0.00000  1.0 1.0
   60    59    40    33   0.30150 -1.0 2.0
   60    59    40    41   0.00000  1.0 1.0
   60    59    40    42   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.05850 -1.0 2.0
   40    33   -38    43   0.17250  1.0 3.0
   55    52    54    43   3.62500 -1.0 2.0
   55    52    54    59   3.62500 -1.0 2.0
   53    47    52    54   3.62500 -1.0 2.0
   53    47    52    55   3.62500 -1.0 2.0
   53    57    61    62   1.00000 -1.0 2.0
   53    57    61    63  -1.65800  1.0 1.0
   53    57    61    63   0.77650 -1.0 2.0
   57    53    67    64  -1.65800  1.0 1.0
   57    53    67    64   0.77650 -1.0 2.0
   57    53    67    68   1.00000 -1.0 2.0
   57    61   -63    64  -0.11500  1.0 1.0
   57    61   -63    64   1.10450 -1.0 2.0
   57    61   -63    64  -0.48050  1.0 3.0
   57    61    63    76  -0.11500  1.0 1.0
   57    61    63    76   1.10450 -1.0 2.0
   57    61    63    76  -0.48050  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   1.64500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    67   3.62500 -1.0 2.0
   61    63    76    70   3.62500 -1.0 2.0
   61    63    76    77   3.62500 -1.0 2.0
   62    61    63    64   1.05000 -1.0 2.0
   62    61    63    76   1.05000 -1.0 2.0
   63    64    65    66   3.62500 -1.0 2.0
   63    64    65    69   3.62500 -1.0 2.0
   63    64   -67    53  -0.11500  1.0 1.0
   63    64   -67    53   1.10450 -1.0 2.0
   63    64   -67    53  -0.48050  1.0 3.0
   63    64    67    68   1.05000 -1.0 2.0
   63    76    77    78   0.84100 -1.0 2.0
   64    63    76    70   3.62500 -1.0 2.0
   64    63    76    77   3.62500 -1.0 2.0
   64    65   -69    70   3.62500 -1.0 2.0
   64    65    69    72   3.62500 -1.0 2.0
   65    64    67    53  -0.11500  1.0 1.0
   65    64    67    53   1.10450 -1.0 2.0
   65    64    67    53  -0.48050  1.0 3.0
   65    64    67    68   1.05000 -1.0 2.0
   65    69    70    71   3.62500 -1.0 2.0
   65    69    70    76   3.62500 -1.0 2.0
   65    69    72    73   0.00000  1.0 1.0
   65    69    72    74   0.00000  1.0 1.0
   65    69    72    75   0.00000  1.0 1.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    72   3.62500 -1.0 2.0
   69    70   -76    63   3.62500 -1.0 2.0
   69    70    76    77   3.62500 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   70    69    72    75   0.00000  1.0 1.0
   70    76    77    78   0.84100 -1.0 2.0
   71    70    76    63   3.62500 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   76    63   -64    65   3.62500 -1.0 2.0
   76    63    64    67   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    76   3.62500 -1.0 2.0
   67    53    57    58   7.00000 -1.0 2.0
   67    53   -57    61   7.00000 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    69   3.62500 -1.0 2.0
   48    46    47    52   3.62500 -1.0 2.0
   48    46    47    53   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
   37    30    35    36  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   44    54    43    38   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   47    48    46    44   4.00000 -1.0 2.0
   52    53    47    46   4.00000 -1.0 2.0
   54    55    52    47   4.00000 -1.0 2.0
   52    59    54    43   4.00000 -1.0 2.0
   54    40    59    60  10.50000 -1.0 2.0
   47    67    53    57   1.10000 -1.0 2.0
   61    58    57    53   1.10000 -1.0 2.0
   57    63    61    62  10.50000 -1.0 2.0
   64    76    63    61   4.00000 -1.0 2.0
   65    67    64    63   4.00000 -1.0 2.0
   69    66    65    64   1.10000 -1.0 2.0
   70    72    69    65   4.00000 -1.0 2.0
   76    71    70    69   1.10000 -1.0 2.0
   70    77    76    63   4.00000 -1.0 2.0
   53    64    67    68  10.50000 -1.0 2.0
END
