* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    164    260     490
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02036   106.60745   -17.48199
    3     1 S   H    _H1_     3     1.02111    57.97141    84.51314
    4     1 S   H    _H2_     4     1.02116    54.16694  -118.88600
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C23    36     1.82833    97.95982   161.82717
   34    33 S   HC   _H4_    37     1.09695   106.51903    38.40620
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C11    38     1.51053   109.90294   -79.98728
   39    33 S   CM   _C7_    69     1.50679   110.38868   156.08829
   40    38 S   CM   _C12    39     1.34273   119.16872   105.18345
   41    40 S   HC   _H13    40     1.08460   122.06410     1.40249
   42    39 S   CT   _C5_    70     1.50854   115.67512   -86.90739
   43    42 S   HC   _H8_    71     1.09269   107.42755     1.80146
   44    40 S   CO4  _C13    41     1.48146   121.16430  -175.91045
   45    44 S   O    _O34    42     1.22829   118.20536  -173.15751
   46    42 S   CT   _C4_    72     1.52246   109.92702   120.34927
   47    46 S   HC   _H5_    73     1.09546   111.74417    62.39951
   48    46 S   HC   _H6_    74     1.09636   111.20119   -58.16504
   49    46 S   HC   _H7_    75     1.09520   110.28036  -177.52907
   50    42 S   CT   _C6_    76     1.52318   110.41509  -116.51216
   51    50 S   HC   _H9_    77     1.09539   111.20360   -62.41797
   52    50 S   HC   _H10    78     1.09653   111.72431   177.03054
   53    50 S   HC   _H11    79     1.09464   110.31301    57.04889
   54    44 S   CT   _C14    43     1.53052   117.15853    10.23935
   55    54 S   HC   _H3_    44     1.10405   103.40686    67.96601
   56    54 S   CT   _C15    45     1.57154   109.23804   -43.81964
   57    56 S   CT   _C16    46     1.55327   108.78983   178.93762
   58    57 S   HC   _H14    47     1.09727   109.41979   -72.07317
   59    57 S   HC   _H15    48     1.09537   110.96408   170.78885
   60    38 S   CT   _C10    64     1.52029   117.47397   -75.35362
   61    60 S   HC   _H12    65     1.09987   106.18154    77.78795
   62    56 S   CT   _C22    82     1.55023   112.66822   -59.90751
   63    62 S   HC   _H26    83     1.08051   108.68332    59.03334
   64    62 S   HC   _H27    84     1.08080   108.64108   -60.96178
   65    62 S   HC   _H28    85     1.08125   108.63834   179.06539
   66    57 S   CT   _C17    49     1.52506   114.41408    49.47290
   67    66 S   HC   _H16    50     1.09413   110.64003    67.34507
   68    66 S   HC   _H17    51     1.09714   108.88309  -176.53276
   69    60 S   CO4  _C9_    66     1.54337   111.01395   -35.60910
   70    69 S   O    _O33    67     1.23272   121.59653  -177.62941
   71    66 S   CT   _C18    52     1.52209   111.48535   -56.40275
   72    71 S   HC   _H18    53     1.09688   109.03710  -179.23767
   73    71 S   HC   _H19    54     1.09871   108.13270   -64.33017
   74    69 S   CM   _C8_    68     1.49197   120.81865     4.46708
   75    54 S   CT   _C19    55     1.56874   115.56301  -179.15466
   76    74 S   OH   _O35    80     1.38002   117.43836  -167.74583
   77    76 S   HO   _H29    81     0.96237   109.82922     2.49912
   78    75 S   CT   _C20    56     1.55267   109.69472   -64.32746
   79    78 S   HC   _H20    57     1.08031   108.57736    62.25351
   80    78 S   HC   _H21    58     1.08066   108.58995   -57.70331
   81    78 S   HC   _H22    59     1.08080   108.59297  -177.70988
   82    75 S   CT   _C21    60     1.54219   115.36757    56.43601
   83    82 S   HC   _H23    61     1.08299   109.08341   -56.93172
   84    82 S   HC   _H24    62     1.08406   109.07777  -176.93567
   85    82 S   HC   _H25    63     1.08397   109.01725    63.09464
  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
  16   6   2   1   1  15  17  10   4  12   9  11   4   8   3   2
   1   4   2   1   1  25   8  19  16   7   6  11   4   6   2   1
   1   8   5   4   4   2  11   4   3   2   8   1   1   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    60    74    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    56    60    61    69    74    39    42    43    46    50    76  
   38    40    60    74    39    42  
   36    37  
   37  
    0  
   40    41    44    45    54    56    57    60    61    69    70    74    39    42    62  
   42    43    46    47    48    49    50    51    52    53    76    77    40    60    69    70    74  
   41    44    45    54    55    56    75    60    61    69  
   44    45    54    60  
   43    46    47    48    49    50    51    52    53    76    69    74  
   46    47    48    49    50    51    52    53    74  
   45    54    55    56    57    71    75    78    82    60    62  
   54    55    56    75  
   47    48    49    50    51    52    53    74  
   48    49    50  
   49    50  
   50  
   51    52    53    74  
   52    53  
   53  
    0  
   55    56    57    58    59    66    71    72    73    75    78    79    80    81    82    83    84    85    60    61    69    62    63    64    65  
   56    57    71    75    78    82    60    62  
   57    58    59    66    67    68    71    75    78    82    60    61    69    70    74    62    63    64    65  
   58    59    66    67    68    71    72    73    75    60    61    69    62    63    64    65  
   59    66    67    68    71    60    62  
   66    67    68    71    60    62  
   61    69    70    74    76    62    63    64    65    66    75  
   69    70    74    62  
   63    64    65    66    69    75  
   64    65  
   65  
    0  
   67    68    71    72    73    75    78    82  
   68    71    72    73    75  
   71    72    73    75  
   70    74    76    77  
   74    76  
   72    73    75    78    79    80    81    82    83    84    85  
   73    75    78    82  
   75    78    82  
   76    77  
   78    79    80    81    82    83    84    85  
   77  
    0  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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   2.5000   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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   549.000  1.340
   38    60   317.000  1.510
   40    41   340.000  1.080
   40    44   320.000  1.462
   44    45   570.000  1.229
   44    54   317.000  1.522
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    75   268.000  1.529
   56    57   268.000  1.529
   56    60   268.000  1.529
   56    62   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    78   268.000  1.529
   75    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   60    61   340.000  1.090
   60    69   317.000  1.522
   69    70   570.000  1.229
   69    74   320.000  1.462
   74    39   549.000  1.340
   74    76   510.000  1.338
   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
   76    77   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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  112.20000
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    60    65.00000  117.92700
   33    39    74    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    65.00000  118.96000
   38    60    56    70.00000  112.02700
   38    60    61    35.00000  109.50000
   38    60    69    70.00000  109.06800
   40    44    45    80.00000  123.72100
   40    44    54    65.00000  118.62400
   44    40    41    40.00000  117.72500
   44    54    55    35.00000  109.50000
   44    54    56    63.00000  111.10000
   44    54    75    63.00000  111.10000
   54    44    45    80.00000  120.40000
   54    56    57    58.35000  112.70000
   54    56    60    58.35000  112.70000
   54    56    62    58.35000  112.70000
   54    75    71    58.35000  112.70000
   54    75    78    58.35000  112.70000
   54    75    82    58.35000  112.70000
   56    54    55    37.50000  110.70000
   56    57    58    37.50000  110.70000
   56    57    59    37.50000  110.70000
   56    57    66    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    69    63.00000  111.10000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    71    58.35000  112.70000
   59    57    58    33.00000  107.80000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    75    78    58.35000  112.70000
   71    75    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   75    54    55    37.50000  110.70000
   75    54    56    58.35000  112.70000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   60    38    40    70.00000  124.00000
   60    56    57    58.35000  112.70000
   60    69    70    80.00000  120.40000
   60    69    74    65.00000  118.62400
   69    60    61    35.00000  109.50000
   69    74    39    65.00000  118.96000
   69    74    76    85.00000  116.28000
   74    69    70    80.00000  123.72100
   74    39    42    70.00000  124.00000
   74    76    77    70.00000  107.45700
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   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
   76    74    39    80.00000  121.38400
   62    56    57    58.35000  112.70000
   62    56    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    60   0.30250  1.0 1.0
   29    33    38    60  -0.14950 -1.0 2.0
   29    33    38    60   0.36900  1.0 3.0
   29    33    39    74   0.42700  1.0 1.0
   29    33    39    74  -0.70350 -1.0 2.0
   29    33    39    74  -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   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    60    56   0.46850  1.0 1.0
   33    38    60    56   0.08550 -1.0 2.0
   33    38    60    56   0.09800  1.0 3.0
   33    38    60    61   0.34800  1.0 3.0
   33    38    60    69   0.17250  1.0 1.0
   33    38    60    69  -0.04100 -1.0 2.0
   33    38    60    69  -0.33850  1.0 3.0
   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    60   0.34800  1.0 3.0
   34    33    39    74   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    74  -0.28300  1.0 1.0
   38    33    39    74   0.26700 -1.0 2.0
   38    33    39    74  -0.63300  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   1.00000 -1.0 2.0
   38    40    44    54  -0.33500  1.0 1.0
   38    40    44    54   1.06600 -1.0 2.0
   38    40    44    54  -0.14000  1.0 3.0
   38    60    69    70   0.30150 -1.0 2.0
   38    60   -69    74   0.65300  1.0 1.0
   38    60   -69    74  -0.03850 -1.0 2.0
   38    60   -69    74   0.33900  1.0 3.0
   40    38    60    56   0.09850  1.0 1.0
   40    38    60    56   0.15250 -1.0 2.0
   40    38    60    56  -0.50650  1.0 3.0
   40    38    60    61   0.00000  1.0 1.0
   40    38    60    69  -0.51250  1.0 1.0
   40    38    60    69  -0.88800 -1.0 2.0
   40    38    60    69   0.08850  1.0 3.0
   40    44    54    55   0.00000  1.0 1.0
   40    44   -54    56   0.65300  1.0 1.0
   40    44   -54    56  -0.03850 -1.0 2.0
   40    44   -54    56   0.33900  1.0 3.0
   40    44    54    75   0.65300  1.0 1.0
   40    44    54    75  -0.03850 -1.0 2.0
   40    44    54    75   0.33900  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    54   0.04550  1.0 1.0
   41    40    44    54   0.83000 -1.0 2.0
   41    40    44    54  -0.04000  1.0 3.0
   44    54    56    57  -0.95700  1.0 1.0
   44    54    56    57  -0.18200 -1.0 2.0
   44    54    56    57   0.29450  1.0 3.0
   44    54    56    60  -0.95700  1.0 1.0
   44    54    56    60  -0.18200 -1.0 2.0
   44    54    56    60   0.29450  1.0 3.0
   44    54    56    62  -0.95700  1.0 1.0
   44    54    56    62  -0.18200 -1.0 2.0
   44    54    56    62   0.29450  1.0 3.0
   44    54    75    71  -0.95700  1.0 1.0
   44    54    75    71  -0.18200 -1.0 2.0
   44    54    75    71   0.29450  1.0 3.0
   44    54    75    78  -0.95700  1.0 1.0
   44    54    75    78  -0.18200 -1.0 2.0
   44    54    75    78   0.29450  1.0 3.0
   44    54    75    82  -0.95700  1.0 1.0
   44    54    75    82  -0.18200 -1.0 2.0
   44    54    75    82   0.29450  1.0 3.0
   45    44    54    55   0.00000  1.0 1.0
   45    44    54    56   0.30150 -1.0 2.0
   45    44    54    75   0.30150 -1.0 2.0
   54    56    57    58   0.15000  1.0 3.0
   54    56    57    59   0.15000  1.0 3.0
   54    56    57    66   0.56750  1.0 1.0
   54    56    57    66  -0.07550 -1.0 2.0
   54    56    57    66   0.20000  1.0 3.0
   54    56   -60    38   0.34400  1.0 1.0
   54    56   -60    38   0.09450 -1.0 2.0
   54    56   -60    38   0.11100  1.0 3.0
   54    56    60    61   0.15000  1.0 3.0
   54    56    60    69  -0.95700  1.0 1.0
   54    56    60    69  -0.18200 -1.0 2.0
   54    56    60    69   0.29450  1.0 3.0
   54    56    62    63   0.15000  1.0 3.0
   54    56    62    64   0.15000  1.0 3.0
   54    56    62    65   0.15000  1.0 3.0
   54    75    78    79   0.15000  1.0 3.0
   54    75    78    80   0.15000  1.0 3.0
   54    75    78    81   0.15000  1.0 3.0
   54    75    82    83   0.15000  1.0 3.0
   54    75    82    84   0.15000  1.0 3.0
   54    75    82    85   0.15000  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    56    62   0.15000  1.0 3.0
   55    54    75    71   0.15000  1.0 3.0
   55    54    75    78   0.15000  1.0 3.0
   55    54    75    82   0.15000  1.0 3.0
   56    54    75    71   0.56750  1.0 1.0
   56    54    75    71  -0.07550 -1.0 2.0
   56    54    75    71   0.20000  1.0 3.0
   56    54    75    78   0.56750  1.0 1.0
   56    54    75    78  -0.07550 -1.0 2.0
   56    54    75    78   0.20000  1.0 3.0
   56    54    75    82   0.56750  1.0 1.0
   56    54    75    82  -0.07550 -1.0 2.0
   56    54    75    82   0.20000  1.0 3.0
   56    57    66    67   0.15000  1.0 3.0
   56    57    66    68   0.15000  1.0 3.0
   56    57   -66    71   0.56750  1.0 1.0
   56    57   -66    71  -0.07550 -1.0 2.0
   56    57   -66    71   0.20000  1.0 3.0
   56    60    69    70   0.30150 -1.0 2.0
   56    60    69    74   0.65300  1.0 1.0
   56    60    69    74  -0.03850 -1.0 2.0
   56    60    69    74   0.33900  1.0 3.0
   57    56    60    38   0.34400  1.0 1.0
   57    56    60    38   0.09450 -1.0 2.0
   57    56    60    38   0.11100  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    69  -0.95700  1.0 1.0
   57    56    60    69  -0.18200 -1.0 2.0
   57    56    60    69   0.29450  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    65   0.15000  1.0 3.0
   57    66    71    72   0.15000  1.0 3.0
   57    66    71    73   0.15000  1.0 3.0
   57    66    71    75   0.56750  1.0 1.0
   57    66    71    75  -0.07550 -1.0 2.0
   57    66    71    75   0.20000  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    71   0.15000  1.0 3.0
   59    57    66    67   0.15000  1.0 3.0
   59    57    66    68   0.15000  1.0 3.0
   59    57    66    71   0.15000  1.0 3.0
   66    71   -75    54   0.56750  1.0 1.0
   66    71   -75    54  -0.07550 -1.0 2.0
   66    71   -75    54   0.20000  1.0 3.0
   66    71    75    78   0.56750  1.0 1.0
   66    71    75    78  -0.07550 -1.0 2.0
   66    71    75    78   0.20000  1.0 3.0
   66    71    75    82   0.56750  1.0 1.0
   66    71    75    82  -0.07550 -1.0 2.0
   66    71    75    82   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    75   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    75   0.15000  1.0 3.0
   71    75    78    79   0.15000  1.0 3.0
   71    75    78    80   0.15000  1.0 3.0
   71    75    78    81   0.15000  1.0 3.0
   71    75    82    83   0.15000  1.0 3.0
   71    75    82    84   0.15000  1.0 3.0
   71    75    82    85   0.15000  1.0 3.0
   72    71    75    54   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   72    71    75    82   0.15000  1.0 3.0
   73    71    75    54   0.15000  1.0 3.0
   73    71    75    78   0.15000  1.0 3.0
   73    71    75    82   0.15000  1.0 3.0
   75    54   -56    57   0.56750  1.0 1.0
   75    54   -56    57  -0.07550 -1.0 2.0
   75    54   -56    57   0.20000  1.0 3.0
   75    54    56    60   0.56750  1.0 1.0
   75    54    56    60  -0.07550 -1.0 2.0
   75    54    56    60   0.20000  1.0 3.0
   75    54    56    62   0.56750  1.0 1.0
   75    54    56    62  -0.07550 -1.0 2.0
   75    54    56    62   0.20000  1.0 3.0
   78    75    82    83   0.15000  1.0 3.0
   78    75    82    84   0.15000  1.0 3.0
   78    75    82    85   0.15000  1.0 3.0
   82    75    78    79   0.15000  1.0 3.0
   82    75    78    80   0.15000  1.0 3.0
   82    75    78    81   0.15000  1.0 3.0
   60    38    40    41   7.00000 -1.0 2.0
   60    38   -40    44   7.00000 -1.0 2.0
   60    56    57    58   0.15000  1.0 3.0
   60    56    57    59   0.15000  1.0 3.0
   60    56    57    66   0.56750  1.0 1.0
   60    56    57    66  -0.07550 -1.0 2.0
   60    56    57    66   0.20000  1.0 3.0
   60    56    62    63   0.15000  1.0 3.0
   60    56    62    64   0.15000  1.0 3.0
   60    56    62    65   0.15000  1.0 3.0
   60    69    74    39  -0.33500  1.0 1.0
   60    69    74    39   1.06600 -1.0 2.0
   60    69    74    39  -0.14000  1.0 3.0
   60    69    74    76   0.32450 -1.0 2.0
   60    69    74    76   0.17400  1.0 3.0
   61    60    69    70   0.00000  1.0 1.0
   61    60    69    74   0.00000  1.0 1.0
   69    74   -39    33   7.00000 -1.0 2.0
   69    74    39    42   7.00000 -1.0 2.0
   69    74    76    77   2.00000 -1.0 2.0
   70    69    74    39   1.00000 -1.0 2.0
   70    69    74    76  -0.11900  1.0 1.0
   70    69    74    76   0.76850 -1.0 2.0
   70    69    74    76   0.14100  1.0 3.0
   74    39    42    43   0.00000  1.0 1.0
   74    39    42    46   0.09850  1.0 1.0
   74    39    42    46   0.15250 -1.0 2.0
   74    39    42    46  -0.50650  1.0 3.0
   74    39    42    50   0.09850  1.0 1.0
   74    39    42    50   0.15250 -1.0 2.0
   74    39    42    50  -0.50650  1.0 3.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33   -38    60   0.09700  1.0 1.0
   39    33   -38    60   0.15600 -1.0 2.0
   39    33   -38    60  -0.50800  1.0 3.0
   39    74    76    77  -0.66100  1.0 1.0
   39    74    76    77   1.20850 -1.0 2.0
   39    74    76    77  -0.36000  1.0 3.0
   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
   76    74    39    33   7.00000 -1.0 2.0
   76    74    39    42   7.00000 -1.0 2.0
   62    56    57    58   0.15000  1.0 3.0
   62    56    57    59   0.15000  1.0 3.0
   62    56    57    66   0.56750  1.0 1.0
   62    56    57    66  -0.07550 -1.0 2.0
   62    56    57    66   0.20000  1.0 3.0
   62    56    60    38   0.34400  1.0 1.0
   62    56    60    38   0.09450 -1.0 2.0
   62    56    60    38   0.11100  1.0 3.0
   62    56    60    61   0.15000  1.0 3.0
   62    56    60    69  -0.95700  1.0 1.0
   62    56    60    69  -0.18200 -1.0 2.0
   62    56    60    69   0.29450  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
   33    60    38    40   1.10000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   40    54    44    45  10.50000 -1.0 2.0
   60    74    69    70  10.50000 -1.0 2.0
   69    76    74    39   1.10000 -1.0 2.0
   33    42    39    74   1.10000 -1.0 2.0
END
