* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    155    240     454
    1     0 S   NP   _N1_     1    28.54427    96.09644   -20.97396
    2     1 S   H    _HN1     2     1.02778    87.43951   -87.89475
    3     1 S   H    _H1_     3     1.02960    81.12726    21.10401
    4     1 S   H    _H2_     4     1.02836    40.74986   150.56020
    5     1 S   CT   _CA1     5     1.50115   151.00264   137.58466
    6     5 S   HC   _HA1     6     1.09575   105.23538    68.15369
    7     5 S   CO3  _C1_     7     1.53783   112.40379   -52.06589
    8     7 S   O2Z  _O11     8     1.26358   115.00360   -43.70911
    9     7 S   O2Z  _O12     9     1.26239   114.92106   135.50335
   10     5 S   CT   _CB1    10     1.53099   107.43365  -173.93240
   11    10 S   HC   HB11    11     1.09824   109.32593   -50.87976
   12    10 S   HC   HB12    12     1.09819   110.41430    65.66513
   13    10 S   CT   _CG1    13     1.53012   112.68151  -171.98781
   14    13 S   HC   HG11    14     1.09595   110.44650   -63.89843
   15    13 S   HC   HG12    15     1.09653   109.97599    55.32265
   16    13 S   C    _CD1    16     1.51819   112.33252   175.67546
   17    16 S   O    _OE1    17     1.22716   123.25560    -1.93351
   18    16 S   N    _N2_    18     1.38631   111.62371   178.33188
   19    18 S   H    _HN2    19     1.01574   119.01502     1.59213
   20    18 S   CT1  _CA2    20     1.46209   123.43044   179.85735
   21    20 S   HC   _HA2    21     1.09741   109.43735    -3.78812
   22    20 S   C    _C2_    22     1.53499   108.43232  -119.34255
   23    22 S   O    _O2_    23     1.23027   122.23830  -145.15013
   24    20 S   CT   _CB2    32     1.53452   111.51333   118.21688
   25    24 S   HC   HB21    33     1.09427   109.68073    55.82989
   26    24 S   HC   HB22    34     1.09405   109.66471   174.51824
   27    22 S   N    _N3_    24     1.38503   113.47607    42.19427
   28    27 S   H    _HN3    25     1.01500   118.96837    -0.51548
   29    24 S   S    _SG2    35     1.82966   111.33122   -65.45678
   30    27 S   CT   _CA3    26     1.45458   123.48213   175.12593
   31    30 S   HC   HA31    27     1.09519   109.30868    23.33978
   32    30 S   HC   HA32    28     1.09498   107.10901   140.35455
   33    29 S   CT   _C17    36     1.87463   100.88663  -177.43883
   34    30 S   CO3  _C3_    29     1.52920   113.04194  -100.18537
   35    34 S   O2Z  _O31    30     1.26407   115.37124   -45.29644
   36    34 S   O2Z  _O32    31     1.26350   115.00673   135.62102
   37    33 S   CM   _C18    37     1.50215   107.18162   156.32886
   38    33 S   CT   _C16    52     1.55753   107.16964   -75.20938
   39    38 S   HC   _H13    53     1.09875   106.10972    63.48288
   40    38 S   HC   _H14    54     1.09954   109.24248   -50.09534
   41    37 S   CMA  _C19    38     1.34748   111.22048  -108.61453
   42    41 S   OM   _O35    39     1.25889   134.59049   176.92668
   43    37 S   CT   _C20    79     1.49620   122.60936    66.92377
   44    43 S   HC   _H15    80     1.09469   110.38277   -78.37785
   45    43 S   HC   _H16    81     1.09474   111.83217   161.52134
   46    43 S   HC   _H17    82     1.09208   111.67941    41.22841
   47    41 S   CT   _C7_    40     1.51798   108.02521     1.63399
   48    47 S   CM   _C8_    41     1.52096   120.03912  -132.32449
   49    33 S   OS   _O34    78     1.44469   110.23581    43.53096
   50    48 S   CM   _C10    42     1.44231   126.44599    26.11179
   51    50 S   HC   _H10    43     1.08870   113.96688   -76.17674
   52    48 S   CM   _C9_    67     1.34371   110.73664  -149.57979
   53    52 S   HC   _H9_    68     1.08193   124.80752  -179.71469
   54    50 S   CM   _C11    44     1.34438   127.39505   106.57814
   55    52 S   CT   _C5_    69     1.49860   111.85214     2.37759
   56    55 S   HC   _H3_    70     1.09674   109.34532   -98.87577
   57    54 S   CO4  _C12    45     1.48868   120.89356    -7.76754
   58    57 S   O    _O33    46     1.22688   121.16620   111.33654
   59    54 S   CT   _C23    63     1.49626   123.60109   175.13369
   60    59 S   HC   _H24    64     1.09496   110.53092   120.86319
   61    59 S   HC   _H25    65     1.09503   111.93964     0.82709
   62    59 S   HC   _H26    66     1.09486   110.36735  -119.17874
   63    47 S   CT   _C6_    71     1.54842   115.57895   107.13593
   64    63 S   HC   _H7_    72     1.09862   111.17489    43.63389
   65    63 S   HC   _H8_    73     1.09401   113.44792   -77.62652
   66    55 S   CT   _C4_    74     1.52114   113.32650   138.54394
   67    66 S   HC   _H4_    75     1.09583   111.79281   -55.14936
   68    66 S   HC   _H5_    76     1.09501   110.57161  -175.52027
   69    66 S   HC   _H6_    77     1.09542   110.70932    64.85801
   70    57 S   CM   _C13    47     1.49182   117.89014   -70.27932
   71    70 S   HC   _H11    48     1.08417   115.38562   170.32783
   72    70 S   CM   _C14    49     1.34239   122.88398    -7.67133
   73    72 S   HC   _H12    50     1.08758   119.04662    -1.41111
   74    72 S   CT   _C15    51     1.51289   127.21792   175.08993
   75    74 S   CT   _C21    55     1.54493   107.72791   156.37269
   76    75 S   HC   _H18    56     1.09585   111.37974   175.58785
   77    75 S   HC   _H19    57     1.09378   112.31839    54.31685
   78    75 S   HC   _H20    58     1.09734   111.08854   -64.86742
   79    74 S   CT   _C22    59     1.54962   111.40661    40.59335
   80    79 S   HC   _H21    60     1.09652   110.86459   174.49032
   81    79 S   HC   _H22    61     1.09659   111.41879    54.69185
   82    79 S   HC   _H23    62     1.09575   112.10797   -65.87742
  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  10   5   4   3
  18   2   1   1  14  18   6   5  14   5   5   2   1   1  13  14
   7  13   4  11   4   9   8   7  10   4   4   2   1   1   6   2
   1   3   2   1   1   6   3  10   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    47    74    38    39    40    49    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    47    48    72    74    38    39    40    75    79    63    49    43    44    45    46  
   35    36  
   36  
    0  
   41    42    47    48    74    38    39    40    63    49    43    44    45    46  
   39    40    75    76    77    78    79    80    81    82    49    43    41    47    70    72    73    74  
   40    75    79    49    72    74  
   75    79    49    72    74  
   42    47    48    50    52    55    63    64    65    49    43    44    45    46  
   47    48    63    49    43  
   44    45    46    47    49  
   45    46  
   46  
    0  
   48    50    51    54    52    53    55    56    63    64    65    66    49  
   50    51    54    57    59    52    53    55    56    63    64    65    66    49  
   50    52    55    63    64    65    74  
   51    54    57    58    70    59    60    61    62    52    53    55    63  
   54    57    59    52  
   53    55    56    63    64    65    66    67    68    69    54  
   55    56    63    66  
   57    58    70    71    72    59    60    61    62  
   56    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   58    70    71    72    73    74    59    60    61    62  
   70    71    72    59  
   60    61    62    70  
   61    62  
   62  
    0  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    79  
   72    73    74  
   73    74    75    76    77    78    79    80    81    82  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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  -0.316400   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   0.417900   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   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   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    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   268.000  1.529
   33    49   320.000  1.410
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   317.000  1.510
   47    63   268.000  1.529
   47    49   320.000  1.410
   48    50   380.000  1.444
   48    52   549.000  1.340
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    57   320.000  1.462
   54    59   317.000  1.510
   57    58   570.000  1.229
   57    70   320.000  1.462
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   340.000  1.080
   72    74   317.000  1.510
   74    38   268.000  1.529
   74    75   268.000  1.529
   74    79   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   52    53   340.000  1.080
   52    55   317.000  1.510
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    49    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    38    74    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    49    47    60.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    47    65.00000  122.18000
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    47    48    70.00000  110.12100
   41    47    63    70.00000  112.02700
   41    47    49    85.00000  110.90400
   47    41    42    85.00000  112.85300
   47    48    50    70.00000  124.00000
   47    48    52    70.00000  124.00000
   47    63    55    58.35000  112.70000
   47    63    64    37.50000  110.70000
   47    63    65    37.50000  110.70000
   48    50    51    35.00000  120.00000
   48    50    54    70.00000  123.01800
   48    52    53    35.00000  120.00000
   48    52    55    70.00000  124.00000
   50    54    57    65.00000  118.96000
   50    54    59    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    80.00000  123.72100
   54    57    70    65.00000  118.65900
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   57    70    71    40.00000  117.72500
   57    70    72    65.00000  118.96000
   70    57    58    80.00000  123.72100
   70    72    73    35.00000  120.00000
   70    72    74    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    74    38    70.00000  112.02700
   72    74    75    70.00000  112.02700
   72    74    79    70.00000  112.02700
   74    72    73    35.00000  117.00000
   74    38    39    37.50000  110.70000
   74    38    40    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    77    37.50000  110.70000
   74    75    78    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   38    33    37    70.00000  112.02700
   40    38    39    33.00000  107.80000
   75    74    38    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
   79    74    38    58.35000  112.70000
   79    74    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   59    54    57    65.00000  116.34900
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   52    48    50    70.00000  123.01800
   52    55    56    35.00000  109.50000
   52    55    63    70.00000  112.02700
   52    55    66    70.00000  112.02700
   55    52    53    35.00000  117.00000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    69    37.50000  110.70000
   63    47    48    70.00000  112.02700
   63    55    56    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    55    56    37.50000  110.70000
   66    55    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   49    33    37    85.00000  110.90400
   49    33    38    50.00000  109.50000
   49    47    48    85.00000  110.90400
   49    47    63    50.00000  109.50000
   43    37    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    49   0.13850  1.0 1.0
   24    29    33    49  -1.34450 -1.0 2.0
   24    29    33    49   0.57400  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    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    38    74   0.44750  1.0 1.0
   29    33    38    74  -0.17800 -1.0 2.0
   29    33    38    74   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    49    47   0.14700  1.0 1.0
   29    33    49    47  -1.16150 -1.0 2.0
   29    33    49    47   0.48700  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37   -41    47   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    46   0.34800  1.0 3.0
   37    33    38    74   0.34400  1.0 1.0
   37    33    38    74   0.09450 -1.0 2.0
   37    33    38    74   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33   -49    47  -0.77900  1.0 1.0
   37    33   -49    47  -0.36900 -1.0 2.0
   37    33   -49    47   0.40400  1.0 3.0
   37    41    47    48  -0.28300  1.0 1.0
   37    41    47    48   0.26700 -1.0 2.0
   37    41    47    48  -0.63300  1.0 3.0
   37    41    47    63   0.09850  1.0 1.0
   37    41    47    63   0.15250 -1.0 2.0
   37    41    47    63  -0.50650  1.0 3.0
   37    41   -47    49   0.39000  1.0 1.0
   37    41   -47    49  -0.05800 -1.0 2.0
   37    41   -47    49  -0.55150  1.0 3.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    45   0.00000  1.0 1.0
   41    37    43    46   0.00000  1.0 1.0
   41    47    48    50  -0.28300  1.0 1.0
   41    47    48    50   0.26700 -1.0 2.0
   41    47    48    50  -0.63300  1.0 3.0
   41    47    48    52  -0.28300  1.0 1.0
   41    47    48    52   0.26700 -1.0 2.0
   41    47    48    52  -0.63300  1.0 3.0
   41    47    63    55   0.34400  1.0 1.0
   41    47    63    55   0.09450 -1.0 2.0
   41    47    63    55   0.11100  1.0 3.0
   41    47    63    64   0.15000  1.0 3.0
   41    47    63    65   0.15000  1.0 3.0
   41    47   -49    33  -0.77900  1.0 1.0
   41    47   -49    33  -0.36900 -1.0 2.0
   41    47   -49    33   0.40400  1.0 3.0
   42    41    47    48   0.09700  1.0 1.0
   42    41    47    48   0.15600 -1.0 2.0
   42    41    47    48  -0.50800  1.0 3.0
   42    41    47    63   0.09700  1.0 1.0
   42    41    47    63   0.15600 -1.0 2.0
   42    41    47    63  -0.50800  1.0 3.0
   42    41    47    49   0.09700  1.0 1.0
   42    41    47    49   0.15600 -1.0 2.0
   42    41    47    49  -0.50800  1.0 3.0
   47    48    50    51   0.00000  1.0 1.0
   47    48    50    54  -0.18600  1.0 3.0
   47    48    52    53   7.00000 -1.0 2.0
   47    48   -52    55   7.00000 -1.0 2.0
   48    47   -63    55   0.34400  1.0 1.0
   48    47   -63    55   0.09450 -1.0 2.0
   48    47   -63    55   0.11100  1.0 3.0
   48    47    63    64   0.15000  1.0 3.0
   48    47    63    65   0.15000  1.0 3.0
   48    47    49    33  -0.77900  1.0 1.0
   48    47    49    33  -0.36900 -1.0 2.0
   48    47    49    33   0.40400  1.0 3.0
   48    50    54    57   7.00000 -1.0 2.0
   48    50    54    59   7.00000 -1.0 2.0
   48    52    55    56   0.00000  1.0 1.0
   48    52   -55    63   0.09850  1.0 1.0
   48    52   -55    63   0.15250 -1.0 2.0
   48    52   -55    63  -0.50650  1.0 3.0
   48    52    55    66   0.09850  1.0 1.0
   48    52    55    66   0.15250 -1.0 2.0
   48    52    55    66  -0.50650  1.0 3.0
   50    48    52    53   7.00000 -1.0 2.0
   50    48    52    55   7.00000 -1.0 2.0
   50    54    57    58   1.00000 -1.0 2.0
   50    54    57    70  -1.18350  1.0 1.0
   50    54    57    70   1.45950 -1.0 2.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   50    54    59    62   0.00000  1.0 1.0
   51    50    54    57   7.00000 -1.0 2.0
   51    50    54    59   7.00000 -1.0 2.0
   54    57    70    71   0.93700 -1.0 2.0
   54    57    70    72  -1.18350  1.0 1.0
   54    57    70    72   1.45950 -1.0 2.0
   57    54    59    60   0.15000  1.0 3.0
   57    54    59    61   0.15000  1.0 3.0
   57    54    59    62   0.15000  1.0 3.0
   57    70    72    73   7.00000 -1.0 2.0
   57    70    72    74   7.00000 -1.0 2.0
   58    57    70    71   0.00000  1.0 1.0
   58    57    70    72   1.00000 -1.0 2.0
   70    72    74    38   0.09850  1.0 1.0
   70    72    74    38   0.15250 -1.0 2.0
   70    72    74    38  -0.50650  1.0 3.0
   70    72    74    75   0.09850  1.0 1.0
   70    72    74    75   0.15250 -1.0 2.0
   70    72    74    75  -0.50650  1.0 3.0
   70    72    74    79   0.09850  1.0 1.0
   70    72    74    79   0.15250 -1.0 2.0
   70    72    74    79  -0.50650  1.0 3.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    74   7.00000 -1.0 2.0
   72    74    38    33   0.34400  1.0 1.0
   72    74    38    33   0.09450 -1.0 2.0
   72    74    38    33   0.11100  1.0 3.0
   72    74    38    39   0.15000  1.0 3.0
   72    74    38    40   0.15000  1.0 3.0
   72    74    75    76   0.15000  1.0 3.0
   72    74    75    77   0.15000  1.0 3.0
   72    74    75    78   0.15000  1.0 3.0
   72    74    79    80   0.15000  1.0 3.0
   72    74    79    81   0.15000  1.0 3.0
   72    74    79    82   0.15000  1.0 3.0
   73    72    74    38   0.00000  1.0 1.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    79   0.00000  1.0 1.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    49    47   0.06250  1.0 1.0
   38    33    49    47  -0.01100 -1.0 2.0
   38    33    49    47   0.28050  1.0 3.0
   38    74    75    76   0.15000  1.0 3.0
   38    74    75    77   0.15000  1.0 3.0
   38    74    75    78   0.15000  1.0 3.0
   38    74    79    80   0.15000  1.0 3.0
   38    74    79    81   0.15000  1.0 3.0
   38    74    79    82   0.15000  1.0 3.0
   75    74    38    33   0.56750  1.0 1.0
   75    74    38    33  -0.07550 -1.0 2.0
   75    74    38    33   0.20000  1.0 3.0
   75    74    38    39   0.15000  1.0 3.0
   75    74    38    40   0.15000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   79    74    38    33   0.56750  1.0 1.0
   79    74    38    33  -0.07550 -1.0 2.0
   79    74    38    33   0.20000  1.0 3.0
   79    74    38    39   0.15000  1.0 3.0
   79    74    38    40   0.15000  1.0 3.0
   79    74    75    76   0.15000  1.0 3.0
   79    74    75    77   0.15000  1.0 3.0
   79    74    75    78   0.15000  1.0 3.0
   59    54    57    58  -0.64400  1.0 1.0
   59    54    57    58   0.26850 -1.0 2.0
   59    54    57    70   1.50000 -1.0 2.0
   52    48    50    51  -0.18600  1.0 3.0
   52    48    50    54   0.28850  1.0 1.0
   52    48    50    54   2.61350 -1.0 2.0
   52    48    50    54   0.78400  1.0 3.0
   52    55   -63    47   0.34400  1.0 1.0
   52    55   -63    47   0.09450 -1.0 2.0
   52    55   -63    47   0.11100  1.0 3.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    65   0.15000  1.0 3.0
   52    55    66    67   0.15000  1.0 3.0
   52    55    66    68   0.15000  1.0 3.0
   52    55    66    69   0.15000  1.0 3.0
   53    52    55    56   0.33100  1.0 3.0
   53    52    55    63   0.00000  1.0 1.0
   53    52    55    66   0.00000  1.0 1.0
   56    55    63    47   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    66    67   0.15000  1.0 3.0
   56    55    66    68   0.15000  1.0 3.0
   56    55    66    69   0.15000  1.0 3.0
   63    47    48    50   0.98200  1.0 1.0
   63    47    48    50  -0.11900 -1.0 2.0
   63    47    48    50   0.24250  1.0 3.0
   63    47   -48    52   0.09850  1.0 1.0
   63    47   -48    52   0.15250 -1.0 2.0
   63    47   -48    52  -0.50650  1.0 3.0
   63    47    49    33   0.06250  1.0 1.0
   63    47    49    33  -0.01100 -1.0 2.0
   63    47    49    33   0.28050  1.0 3.0
   63    55    66    67   0.15000  1.0 3.0
   63    55    66    68   0.15000  1.0 3.0
   63    55    66    69   0.15000  1.0 3.0
   66    55    63    47   0.56750  1.0 1.0
   66    55    63    47  -0.07550 -1.0 2.0
   66    55    63    47   0.20000  1.0 3.0
   66    55    63    64   0.15000  1.0 3.0
   66    55    63    65   0.15000  1.0 3.0
   49    33   -37    41   0.39000  1.0 1.0
   49    33   -37    41  -0.05800 -1.0 2.0
   49    33   -37    41  -0.55150  1.0 3.0
   49    33    37    43   0.09700  1.0 1.0
   49    33    37    43   0.15600 -1.0 2.0
   49    33    37    43  -0.50800  1.0 3.0
   49    33    38    74   0.62750  1.0 1.0
   49    33    38    74  -0.30950 -1.0 2.0
   49    33    38    74   0.27300  1.0 3.0
   49    33    38    39   0.23400  1.0 3.0
   49    33    38    40   0.23400  1.0 3.0
   49    47    48    50   0.39000  1.0 1.0
   49    47    48    50  -0.05800 -1.0 2.0
   49    47    48    50  -0.55150  1.0 3.0
   49    47    48    52   0.39000  1.0 1.0
   49    47    48    52  -0.05800 -1.0 2.0
   49    47    48    52  -0.55150  1.0 3.0
   49    47    63    55   0.62750  1.0 1.0
   49    47    63    55  -0.30950 -1.0 2.0
   49    47    63    55   0.27300  1.0 3.0
   49    47    63    64   0.23400  1.0 3.0
   49    47    63    65   0.23400  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    47   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   47    50    48    52   1.10000 -1.0 2.0
   48    51    50    54   1.10000 -1.0 2.0
   57    59    54    50   1.10000 -1.0 2.0
   54    70    57    58  10.50000 -1.0 2.0
   57    71    70    72   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
END
