* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    230     434
    1     0 S   NP   _N1_     1    28.65717    94.81628   -20.85475
    2     1 S   H    _HN1     2     1.02779    87.05576   -77.26663
    3     1 S   H    _H1_     3     1.02968    91.17050    31.03900
    4     1 S   H    _H2_     4     1.02839    32.49939   151.90453
    5     1 S   CT   _CA1     5     1.50131   143.12162   158.42192
    6     5 S   HC   _HA1     6     1.09576   105.23337    55.36913
    7     5 S   CO3  _C1_     7     1.53812   112.40422   -64.82056
    8     7 S   O2Z  _O11     8     1.26350   115.00336   -42.57063
    9     7 S   O2Z  _O12     9     1.26247   114.92411   136.57914
   10     5 S   CT   _CB1    10     1.53096   107.41445   173.28253
   11    10 S   HC   HB11    11     1.09821   109.34737   -50.66806
   12    10 S   HC   HB12    12     1.09831   110.38233    65.88764
   13    10 S   CT   _CG1    13     1.53001   112.69637  -171.83355
   14    13 S   HC   HG11    14     1.09605   110.28384   -62.71491
   15    13 S   HC   HG12    15     1.09635   110.14131    56.51528
   16    13 S   C    _CD1    16     1.51811   112.28445   176.81592
   17    16 S   O    _OE1    17     1.22719   123.24722    -8.39482
   18    16 S   N    _N2_    18     1.38612   111.61558   171.96742
   19    18 S   H    _HN2    19     1.01584   118.99445     1.76591
   20    18 S   CT1  _CA2    20     1.46279   123.44547  -177.01102
   21    20 S   HC   _HA2    21     1.09727   109.43337   -13.54108
   22    20 S   C    _C2_    22     1.53356   108.28421  -129.40534
   23    22 S   O    _O2_    23     1.23011   122.28824  -144.83082
   24    20 S   CT   _CB2    32     1.53462   111.13575   108.55292
   25    24 S   HC   HB21    33     1.09564   109.38335    55.26666
   26    24 S   HC   HB22    34     1.09479   110.62751   174.09840
   27    22 S   N    _N3_    24     1.38520   113.31481    42.46226
   28    27 S   H    _HN3    25     1.01529   118.92367    -0.49218
   29    24 S   S    _SG2    35     1.82673   111.46600   -66.19889
   30    27 S   CT   _CA3    26     1.45446   123.37758   175.12006
   31    30 S   HC   HA31    27     1.09528   109.15502    25.96775
   32    30 S   HC   HA32    28     1.09493   107.14432   142.96176
   33    29 S   CT   _C22    36     1.83914   100.17637   153.27504
   34    33 S   HC   _H3_    37     1.09733   109.21330   -37.01503
   35    30 S   CO3  _C3_    29     1.52931   113.16321   -97.45047
   36    35 S   O2Z  _O31    30     1.26399   115.42248   -44.03714
   37    35 S   O2Z  _O32    31     1.26357   114.96760   136.89579
   38    33 S   CA   _C11    38     1.50657   111.86469    81.99452
   39    33 S   CM   _C7_    50     1.52218   108.09213  -153.73226
   40    38 S   CA   _C12    39     1.39487   120.37722   -89.16880
   41    40 S   HA   _H11    40     1.08704   120.63596    -0.00000
   42    39 S   CT   _C5_    51     1.53939   113.60973    86.14123
   43    42 S   HC   _H7_    52     1.09889   107.80945    -9.77332
   44    40 S   CA   _C13    41     1.39113   120.38648  -179.29114
   45    44 S   HA   _H12    42     1.08684   117.60142   179.95577
   46    42 S   CT   _C4_    53     1.53071   111.76980   106.58159
   47    46 S   HC   _H4_    54     1.09473   112.04974    67.88962
   48    46 S   HC   _H5_    55     1.09558   110.97684   -52.96113
   49    46 S   HC   _H6_    56     1.09559   110.44686  -172.26279
   50    42 S   CT   _C6_    57     1.53274   114.28221  -125.99559
   51    50 S   HC   _H8_    58     1.09392   112.51594   -73.14480
   52    50 S   HC   _H9_    59     1.09603   110.07989   167.63003
   53    50 S   HC   _H10    60     1.09533   111.14315    48.63649
   54    44 S   CA   _C14    43     1.40777   121.54696     0.06256
   55    54 S   CA   _C15    44     1.41947   118.65579    -2.89732
   56    38 S   CA   _C10    45     1.40012   120.36391    90.29955
   57    55 S   CT   _C16    61     1.51464   120.43851  -179.08038
   58    57 S   HC   _H13    62     1.09365   110.26441   133.20742
   59    57 S   HC   _H14    63     1.09716   108.00341  -108.62842
   60    56 S   CO4  _C9_    46     1.49042   115.69035     2.02449
   61    60 S   O    _O33    47     1.22707   120.74839  -147.27155
   62    57 S   CT   _C17    64     1.52268   115.32555    13.67280
   63    62 S   HC   _H15    65     1.09592   110.07584    78.23753
   64    62 S   HC   _H16    66     1.09632   109.38645  -165.32043
   65    60 S   CMA  _C8_    48     1.52194   117.86646    32.90413
   66    65 S   OM   _O34    49     1.26282   113.89954   146.02894
   67    62 S   CT   _C18    67     1.51489   110.38754   -44.00163
   68    67 S   HC   _H17    68     1.09737   109.44972  -175.29589
   69    67 S   HC   _H18    69     1.09901   108.53600   -59.61368
   70    54 S   CT   _C19    70     1.53668   119.07634   178.04575
   71    70 S   CT   _C20    71     1.54406   108.72227    74.30410
   72    71 S   HC   _H19    72     1.09593   111.12336   175.79597
   73    71 S   HC   _H20    73     1.09539   112.07431    55.01994
   74    71 S   HC   _H21    74     1.09652   111.45699   -64.59526
   75    70 S   CT   _C21    75     1.54808   112.01490   -45.29267
   76    75 S   HC   _H22    76     1.09663   110.91684  -173.78044
   77    75 S   HC   _H23    77     1.09503   112.55060    66.89583
   78    75 S   HC   _H24    78     1.09643   111.19627   -53.90211
  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   8   5   4   3
  15   6   2   1   1  13  16   8   4  12   9   9   3   8   3   2
   1   4   2   1   1  19  14   9  10   5   4   3   2   8   5   4
   1   1  11   4   3   8   7   3   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    56    65    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    55    56    60    65    66    39    42    43    46    50  
   38    40    56    65    39    42  
   36    37  
   37  
    0  
   40    41    44    45    54    55    56    60    61    65    39    42    57  
   42    43    46    47    48    49    50    51    52    53    40    56    60    61    65    66  
   41    44    45    54    55    56    60    70  
   44    45    54    56  
   43    46    47    48    49    50    51    52    53    60    65    66  
   46    47    48    49    50    51    52    53    65  
   45    54    55    56    57    67    70    71    75  
   54    55    70  
   47    48    49    50    51    52    53    65  
   48    49    50  
   49    50  
   50  
   51    52    53    65  
   52    53  
   53  
    0  
   55    56    60    57    58    59    62    67    68    69    70    71    72    73    74    75    76    77    78  
   56    60    61    65    57    58    59    62    63    64    67    70    71    75  
   60    61    65    66    57    58    59    62    70  
   58    59    62    63    64    67    68    69    70    60  
   59    62    63    64    67  
   62    63    64    67  
   61    65    66  
   65    66  
   63    64    67    68    69    70    71    75  
   64    67    68    69    70  
   67    68    69    70  
   66  
    0  
   68    69    70    71    72    73    74    75    76    77    78  
   69    70    71    75  
   70    71    75  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   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   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    56   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    54   469.000  1.400
   54    55   469.000  1.400
   54    70   317.000  1.510
   55    56   469.000  1.400
   55    57   317.000  1.510
   56    60   310.000  1.470
   60    61   570.000  1.229
   60    65   270.000  1.476
   65    66   745.000  1.250
   65    39   465.000  1.376
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   268.000  1.529
   70    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    65    70.00000  124.00000
   33    39    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    63.00000  120.00000
   38    56    55    63.00000  120.00000
   38    56    60    60.00000  119.52600
   40    44    45    35.00000  120.00000
   40    44    54    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    54    55    63.00000  120.00000
   44    54    70    70.00000  120.00000
   54    44    45    35.00000  120.00000
   54    55    56    63.00000  120.00000
   54    55    57    70.00000  120.00000
   54    70    67    70.00000  112.17500
   54    70    71    70.00000  112.17500
   54    70    75    70.00000  112.17500
   55    56    60    60.00000  119.52600
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    62    70.00000  112.17500
   56    38    40    63.00000  120.00000
   56    60    61    75.00000  123.78400
   56    60    65    60.00000  117.44000
   60    65    66    85.00000  116.28000
   60    65    39    65.00000  114.61000
   65    60    61    80.00000  120.81000
   65    39    42    70.00000  124.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    65    66    65.00000  137.10300
   39    42    43    35.00000  109.50000
   39    42    46    70.00000  112.02700
   39    42    50    70.00000  112.02700
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    53    37.50000  110.70000
   46    42    43    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   57    55    56    70.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    70    71    58.35000  112.70000
   67    70    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    54    55    70.00000  120.00000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    74    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    70    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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  -0.23050  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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    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    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    65   0.42700  1.0 1.0
   29    33    39    65  -0.70350 -1.0 2.0
   29    33    39    65  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    56    55   3.62500 -1.0 2.0
   33    38    56    60   3.62500 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    46   0.46850  1.0 1.0
   33    39    42    46   0.08550 -1.0 2.0
   33    39    42    46   0.09800  1.0 3.0
   33    39    42    50   0.46850  1.0 1.0
   33    39    42    50   0.08550 -1.0 2.0
   33    39    42    50   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    65   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    65   1.44450  1.0 1.0
   38    33    39    65   0.06600 -1.0 2.0
   38    33    39    65   0.29250  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    54   3.62500 -1.0 2.0
   38    56    60    61   1.05000 -1.0 2.0
   38    56   -60    65  -0.11500  1.0 1.0
   38    56   -60    65   1.10450 -1.0 2.0
   38    56   -60    65  -0.48050  1.0 3.0
   40    38    56    55   3.62500 -1.0 2.0
   40    38    56    60   3.62500 -1.0 2.0
   40    44   -54    55   3.62500 -1.0 2.0
   40    44    54    70   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    54   3.62500 -1.0 2.0
   44    54    55    56   3.62500 -1.0 2.0
   44    54    55    57   3.62500 -1.0 2.0
   44    54    70    67   0.04150 -1.0 2.0
   44    54    70    71   0.04150 -1.0 2.0
   44    54    70    75   0.04150 -1.0 2.0
   45    44    54    55   3.62500 -1.0 2.0
   45    44    54    70   3.62500 -1.0 2.0
   54    55   -56    38   3.62500 -1.0 2.0
   54    55    56    60   3.62500 -1.0 2.0
   54    55    57    58   0.00000  1.0 1.0
   54    55    57    59   0.00000  1.0 1.0
   54    55    57    62   0.04150 -1.0 2.0
   54    70    71    72   0.43200  1.0 3.0
   54    70    71    73   0.43200  1.0 3.0
   54    70    71    74   0.43200  1.0 3.0
   54    70    75    76   0.43200  1.0 3.0
   54    70    75    77   0.43200  1.0 3.0
   54    70    75    78   0.43200  1.0 3.0
   55    54    70    67   0.04150 -1.0 2.0
   55    54    70    71   0.04150 -1.0 2.0
   55    54    70    75   0.04150 -1.0 2.0
   55    56    60    61   1.05000 -1.0 2.0
   55    56    60    65  -0.11500  1.0 1.0
   55    56    60    65   1.10450 -1.0 2.0
   55    56    60    65  -0.48050  1.0 3.0
   55    57    62    63   0.43200  1.0 3.0
   55    57    62    64   0.43200  1.0 3.0
   55    57   -62    67  -0.03700  1.0 1.0
   55    57   -62    67   0.37200 -1.0 2.0
   55    57   -62    67  -0.47300  1.0 3.0
   56    38    40    41   3.62500 -1.0 2.0
   56    38   -40    44   3.62500 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    62   0.04150 -1.0 2.0
   56    60    65    66   1.50000 -1.0 2.0
   56    60    65    39  -1.65800  1.0 1.0
   56    60    65    39   0.77650 -1.0 2.0
   60    65   -39    33   7.00000 -1.0 2.0
   60    65    39    42   7.00000 -1.0 2.0
   61    60    65    66  -0.11900  1.0 1.0
   61    60    65    66   0.76850 -1.0 2.0
   61    60    65    66   0.14100  1.0 3.0
   61    60    65    39   1.00000 -1.0 2.0
   65    39    42    43   0.00000  1.0 1.0
   65    39    42    46   0.09850  1.0 1.0
   65    39    42    46   0.15250 -1.0 2.0
   65    39    42    46  -0.50650  1.0 3.0
   65    39    42    50   0.09850  1.0 1.0
   65    39    42    50   0.15250 -1.0 2.0
   65    39    42    50  -0.50650  1.0 3.0
   66    65    39    33   7.00000 -1.0 2.0
   66    65    39    42   7.00000 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33   -38    56   0.18050 -1.0 2.0
   39    42    46    47   0.15000  1.0 3.0
   39    42    46    48   0.15000  1.0 3.0
   39    42    46    49   0.15000  1.0 3.0
   39    42    50    51   0.15000  1.0 3.0
   39    42    50    52   0.15000  1.0 3.0
   39    42    50    53   0.15000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    53   0.15000  1.0 3.0
   46    42    50    51   0.15000  1.0 3.0
   46    42    50    52   0.15000  1.0 3.0
   46    42    50    53   0.15000  1.0 3.0
   50    42    46    47   0.15000  1.0 3.0
   50    42    46    48   0.15000  1.0 3.0
   50    42    46    49   0.15000  1.0 3.0
   57    55    56    38   3.62500 -1.0 2.0
   57    55    56    60   3.62500 -1.0 2.0
   57    62    67    68   0.15000  1.0 3.0
   57    62    67    69   0.15000  1.0 3.0
   57    62    67    70   0.56750  1.0 1.0
   57    62    67    70  -0.07550 -1.0 2.0
   57    62    67    70   0.20000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    67   0.15000  1.0 3.0
   62    67   -70    54  -0.03700  1.0 1.0
   62    67   -70    54   0.37200 -1.0 2.0
   62    67   -70    54  -0.47300  1.0 3.0
   62    67    70    71   0.56750  1.0 1.0
   62    67    70    71  -0.07550 -1.0 2.0
   62    67    70    71   0.20000  1.0 3.0
   62    67    70    75   0.56750  1.0 1.0
   62    67    70    75  -0.07550 -1.0 2.0
   62    67    70    75   0.20000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70   0.15000  1.0 3.0
   67    70    71    72   0.15000  1.0 3.0
   67    70    71    73   0.15000  1.0 3.0
   67    70    71    74   0.15000  1.0 3.0
   67    70    75    76   0.15000  1.0 3.0
   67    70    75    77   0.15000  1.0 3.0
   67    70    75    78   0.15000  1.0 3.0
   68    67    70    54   0.43200  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    75   0.15000  1.0 3.0
   69    67    70    54   0.43200  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    75   0.15000  1.0 3.0
   70    54    55    56   3.62500 -1.0 2.0
   70    54   -55    57   3.62500 -1.0 2.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   75    70    71    72   0.15000  1.0 3.0
   75    70    71    73   0.15000  1.0 3.0
   75    70    71    74   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   40    56    38    33   4.00000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   54    45    44    40   1.10000 -1.0 2.0
   55    70    54    44   4.00000 -1.0 2.0
   56    57    55    54   4.00000 -1.0 2.0
   55    60    56    38   4.00000 -1.0 2.0
   56    65    60    61  10.50000 -1.0 2.0
   60    66    65    39   1.10000 -1.0 2.0
   33    42    39    65   1.10000 -1.0 2.0
END
