* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    144    229     425
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02036   106.62891   -13.73424
    3     1 S   H    _H1_     3     1.02100    55.74828    87.87047
    4     1 S   H    _H2_     4     1.02127    56.40654  -115.45351
    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     1.08575   109.89770   179.09691
   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   _C9_    36     1.83018    97.87518   161.84297
   34    33 S   HC   _H4_    37     1.09702   108.22001   -37.82258
   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   _C10    38     1.51151   109.08387    80.01079
   39    38 S   CMA  _C11    39     1.35822   124.56667   103.36246
   40    39 S   OM   _O35    40     1.26347   130.58575   173.61988
   41    38 S   C    _C14    58     1.47884   115.83827   -81.01319
   42    41 S   O    _O36    59     1.22377   120.39344   -55.99054
   43    39 S   CM   _C12    41     1.51093   115.74860    -3.16910
   44    41 S   N    _N4_    60     1.37853   112.48275   124.15757
   45    44 S   H    _H12    61     1.01646   118.66858    -0.10835
   46    43 S   CM   _C7_    42     1.48458   117.78514    25.64431
   47    44 S   CT1  _C15    62     1.44545   122.63212   179.85598
   48    47 S   HC   _H5_    63     1.09709   107.64786    29.99448
   49    33 S   CM   _C8_    43     1.50858   109.63856  -156.37285
   50    49 S   Cl   Cl1_    44     1.73530   115.07935    79.94253
   51    46 S   CT   _C6_    45     1.50274   114.79902   157.55060
   52    51 S   HC   _H9_    46     1.09318   113.08918   170.84213
   53    51 S   HC   _H10    47     1.09737   108.87086   -69.76217
   54    47 S   CO3  _C23    64     1.53454   103.21660   145.68936
   55    54 S   O2Z  _O38    65     1.26509   114.54297    65.83658
   56    54 S   O2Z  _O37    66     1.26286   116.23866  -114.47079
   57    47 S   CT   _C16    67     1.52911   108.92834   -89.81658
   58    57 S   HC   _H13    68     1.09895   109.44698    57.00047
   59    57 S   HC   _H14    69     1.09821   110.58671   -58.12326
   60    51 S   CT   _C5_    48     1.52202   106.67396    50.03384
   61    60 S   HC   _H3_    49     1.09967   110.98762    58.83282
   62    57 S   CA   _C17    70     1.50175   112.84510   178.11166
   63    60 S   OS   _O33    50     1.42944   110.38950   -61.16243
   64    60 S   CT   _C4_    54     1.52310   111.09335   179.65057
   65    64 S   HC   _H6_    55     1.09048   109.97023    57.77185
   66    64 S   HC   _H7_    56     1.08937   110.04645   -62.27639
   67    64 S   HC   _H8_    57     1.09025   109.99039   177.73808
   68    62 S   CA   _C18    71     1.39517   120.00588   -90.03393
   69    68 S   HA   _H15    72     1.08634   120.51598     0.00000
   70    43 S   CM   _C13    51     1.36764   125.45089  -155.61946
   71    68 S   CA   _C19    73     1.39511   120.00744   179.98022
   72    71 S   HA   _H16    74     1.08572   119.97156   179.92867
   73    70 S   OH   _O34    52     1.38385   121.36752     2.85890
   74    73 S   HO   _H11    53     0.95969   109.39910     0.03426
   75    71 S   CA   _C20    75     1.39478   119.99221     0.04846
   76    75 S   HA   _H17    76     1.08630   120.01708   179.92867
   77    75 S   CA   _C21    77     1.39517   120.00033    -0.04423
   78    77 S   HA   _H18    78     1.08617   120.01817   179.92598
   79    62 S   CA   _C22    79     1.39478   119.99381    89.99206
   80    79 S   HA   _H19    80     1.08706   120.50740     0.00000
  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
  12   6   2   1   1  12  11   4   9   3  11  10   4  11  10   7
   6   1  10   5   4   6   2   1   9   4   3   8   6   9   7   4
   2   1   1   8   4   2   6   3   1   1   5   3   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    49    50    51    41    42    44  
   38    39    46    49    50    41  
   36    37  
   37  
    0  
   39    40    43    46    49    50    70    41    42    44    45    47  
   40    43    46    49    51    63    70    73    41    42    44  
   43    46    70    41  
   42    44    45    47    48    54    57    43    49  
   44    45    47  
   46    49    50    51    52    53    60    63    70    73    74  
   45    47    48    54    55    56    57    58    59    62  
   47    48    54    57  
   49    50    51    52    53    60    61    63    70    73    64  
   48    54    55    56    57    58    59    62    68    79  
   54    55    56    57    58    59    62  
   50    51    52    53    60    70  
   51  
   52    53    60    61    63    70    64    65    66    67  
   53    60    61    63    64  
   60    61    63    64  
   55    56    57    58    59    62  
   56    57  
   57  
   58    59    62    68    69    71    77    79    80  
   59    62    68    79  
   62    68    79  
   61    63    70    73    64    65    66    67  
   63    70    64    65    66    67  
   68    69    71    72    75    77    78    79    80  
   70    73    74    64    65    66    67  
   65    66    67    70  
   66    67  
   67  
    0  
   69    71    72    75    76    77    79    80  
   71    72    75    79  
   73    74  
   72    75    76    77    78    79  
   75    76    77  
   74  
    0  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    49   317.000  1.510
   38    39   465.000  1.376
   38    41   410.000  1.444
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    46   380.000  1.444
   43    70   549.000  1.340
   46    49   549.000  1.340
   46    51   317.000  1.510
   49    50   300.000  1.725
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    63   320.000  1.410
   60    64   268.000  1.529
   63    70   440.000  1.360
   70    73   510.000  1.338
   73    74   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    42   570.000  1.229
   41    44   490.000  1.335
   44    45   434.000  1.010
   44    47   337.000  1.449
   47    48   340.000  1.090
   47    54   317.000  1.522
   47    57   268.000  1.529
   54    55   656.000  1.250
   54    56   656.000  1.250
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    68   469.000  1.400
   62    79   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
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    49    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  119.70000
   33    49    46    70.00000  124.00000
   33    49    50    75.00000  111.02000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41    42    80.00000  125.30000
   38    41    44    80.00000  111.56200
   39    43    46    70.00000  117.34000
   39    43    70    70.00000  117.34000
   43    39    40    65.00000  137.10300
   43    46    49    70.00000  123.01800
   43    46    51    70.00000  124.00000
   43    70    63    80.00000  120.01400
   43    70    73    80.00000  121.38400
   46    49    50    75.00000  121.50000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    60    70.00000  112.02700
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  110.12100
   51    46    49    70.00000  124.00000
   51    60    61    37.50000  110.70000
   51    60    63    50.00000  109.50000
   51    60    64    58.35000  112.70000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   60    63    70    90.00000  111.18400
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   63    60    61    35.00000  109.50000
   63    70    73   115.00000  116.36000
   70    43    46    70.00000  123.01800
   70    73    74    70.00000  107.45700
   64    60    61    37.50000  110.70000
   64    60    63    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    38    39    60.00000  120.04000
   41    44    45    35.00000  119.80000
   41    44    47    50.00000  121.90000
   44    41    42    80.00000  122.90000
   44    47    48    35.00000  109.50000
   44    47    54    63.00000  110.10000
   44    47    57    80.00000  109.70000
   47    44    45    38.00000  118.40000
   47    54    55    70.00000  117.00000
   47    54    56    70.00000  117.00000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   47    57    62    63.00000  114.00000
   54    47    48    35.00000  109.50000
   56    54    55    80.00000  126.00000
   57    47    48    37.50000  110.70000
   57    47    54    63.00000  111.10000
   57    62    68    70.00000  120.00000
   57    62    79    70.00000  120.00000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    68    69    35.00000  120.00000
   62    68    71    63.00000  120.00000
   62    79    77    63.00000  120.00000
   62    79    80    35.00000  120.00000
   68    71    72    35.00000  120.00000
   68    71    75    63.00000  120.00000
   71    68    69    35.00000  120.00000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   79    62    68    63.00000  120.00000
   79    77    78    35.00000  120.00000
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    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   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    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    49    46   0.42700  1.0 1.0
   29    33    49    46  -0.70350 -1.0 2.0
   29    33    49    46  -0.43150  1.0 3.0
   29    33    49    50   0.09700  1.0 1.0
   29    33    49    50   0.15600 -1.0 2.0
   29    33    49    50  -0.50800  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    44   1.59650  1.0 1.0
   33    38    41    44   0.42750 -1.0 2.0
   33    38    41    44  -0.48350  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    46   0.00000  1.0 1.0
   34    33    49    50   0.00000  1.0 1.0
   38    33    49    46  -0.28300  1.0 1.0
   38    33    49    46   0.26700 -1.0 2.0
   38    33    49    46  -0.63300  1.0 3.0
   38    33    49    50   0.09700  1.0 1.0
   38    33    49    50   0.15600 -1.0 2.0
   38    33    49    50  -0.50800  1.0 3.0
   38    39   -43    46   7.00000 -1.0 2.0
   38    39    43    70   7.00000 -1.0 2.0
   38    41    44    45   2.56700 -1.0 2.0
   38    41    44    47   1.49850  1.0 1.0
   38    41    44    47   1.53950 -1.0 2.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    44   0.49500  1.0 1.0
   39    38    41    44   1.31600 -1.0 2.0
   39    38    41    44  -0.02300  1.0 3.0
   39    43    46    49   0.28850  1.0 1.0
   39    43    46    49   2.61350 -1.0 2.0
   39    43    46    49   0.78400  1.0 3.0
   39    43    46    51  -0.18600  1.0 3.0
   39    43    70    63   7.00000 -1.0 2.0
   39    43    70    73   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   40    39    43    70   7.00000 -1.0 2.0
   43    46   -49    33   7.00000 -1.0 2.0
   43    46    49    50   7.00000 -1.0 2.0
   43    46    51    52   0.00000  1.0 1.0
   43    46    51    53   0.00000  1.0 1.0
   43    46    51    60   0.98200  1.0 1.0
   43    46    51    60  -0.11900 -1.0 2.0
   43    46    51    60   0.24250  1.0 3.0
   43    70    73    74  -0.66100  1.0 1.0
   43    70    73    74   1.20850 -1.0 2.0
   43    70    73    74  -0.36000  1.0 3.0
   46    43    70    63   7.00000 -1.0 2.0
   46    43    70    73   7.00000 -1.0 2.0
   46    51    60    61   0.15000  1.0 3.0
   46    51   -60    63   0.61850  1.0 1.0
   46    51   -60    63  -0.22750 -1.0 2.0
   46    51   -60    63   0.15300  1.0 3.0
   46    51    60    64   0.34400  1.0 1.0
   46    51    60    64   0.09450 -1.0 2.0
   46    51    60    64   0.11100  1.0 3.0
   49    33   -38    39  -0.28300  1.0 1.0
   49    33   -38    39   0.26700 -1.0 2.0
   49    33   -38    39  -0.63300  1.0 3.0
   49    33    38    41   0.09700  1.0 1.0
   49    33    38    41   0.15600 -1.0 2.0
   49    33    38    41  -0.50800  1.0 3.0
   49    46    51    52   0.00000  1.0 1.0
   49    46    51    53   0.00000  1.0 1.0
   49    46    51    60   0.09850  1.0 1.0
   49    46    51    60   0.15250 -1.0 2.0
   49    46    51    60  -0.50650  1.0 3.0
   51    46    49    33   7.00000 -1.0 2.0
   51    46    49    50   7.00000 -1.0 2.0
   51    60    63    70  -0.46850  1.0 1.0
   51    60    63    70   0.09300 -1.0 2.0
   51    60    63    70  -0.12850  1.0 3.0
   51    60    64    65   0.15000  1.0 3.0
   51    60    64    66   0.15000  1.0 3.0
   51    60    64    67   0.15000  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    63   0.23400  1.0 3.0
   52    51    60    64   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    63   0.23400  1.0 3.0
   53    51    60    64   0.15000  1.0 3.0
   60    63   -70    43  -2.26850  1.0 1.0
   60    63   -70    43   3.39050 -1.0 2.0
   60    63    70    73   2.00000 -1.0 2.0
   61    60    63    70   0.08050  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   63    60    64    65   0.23400  1.0 3.0
   63    60    64    66   0.23400  1.0 3.0
   63    60    64    67   0.23400  1.0 3.0
   63    70    73    74   2.00000 -1.0 2.0
   70    43    46    49   0.28850  1.0 1.0
   70    43    46    49   2.61350 -1.0 2.0
   70    43    46    49   0.78400  1.0 3.0
   70    43   -46    51  -0.18600  1.0 3.0
   64    60    63    70  -0.46850  1.0 1.0
   64    60    63    70   0.09300 -1.0 2.0
   64    60    63    70  -0.12850  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   41    44    47    48   0.00000  1.0 1.0
   41    44    47    54  -0.29800  1.0 1.0
   41    44    47    54   0.13950 -1.0 2.0
   41    44    47    54  -2.45650  1.0 3.0
   41    44    47    57   0.25950  1.0 1.0
   41    44    47    57   0.43850 -1.0 2.0
   41    44    47    57   2.61650  1.0 3.0
   42    41    44    45   2.45000 -1.0 2.0
   42    41    44    47   3.04450 -1.0 2.0
   44    47    54    55   0.00000  1.0 1.0
   44    47    54    56   0.00000  1.0 1.0
   44    47    57    58   0.23200  1.0 3.0
   44    47    57    59   0.23200  1.0 3.0
   44    47    57    62   0.42250  1.0 1.0
   44    47    57    62  -0.48100 -1.0 2.0
   44    47    57    62   0.35650  1.0 3.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    54   0.00000  1.0 1.0
   45    44    47    57   0.00000  1.0 1.0
   47    57    62    68   0.00000  1.0 1.0
   47    57    62    79   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    56   0.00000  1.0 1.0
   48    47    57    58   0.15000  1.0 3.0
   48    47    57    59   0.15000  1.0 3.0
   48    47    57    62   0.23100  1.0 3.0
   54    47    57    58  -0.03800  1.0 3.0
   54    47    57    59  -0.03800  1.0 3.0
   54    47    57    62  -0.84850  1.0 1.0
   54    47    57    62  -0.22800 -1.0 2.0
   54    47    57    62   0.29250  1.0 3.0
   57    47    54    55   0.00000  1.0 1.0
   57    47    54    56   0.00000  1.0 1.0
   57    62    68    69   3.62500 -1.0 2.0
   57    62    68    71   3.62500 -1.0 2.0
   57    62    79    77   3.62500 -1.0 2.0
   57    62    79    80   3.62500 -1.0 2.0
   58    57    62    68   0.00000  1.0 1.0
   58    57    62    79   0.00000  1.0 1.0
   59    57    62    68   0.00000  1.0 1.0
   59    57    62    79   0.00000  1.0 1.0
   62    68    71    72   3.62500 -1.0 2.0
   62    68    71    75   3.62500 -1.0 2.0
   68    62    79    77   3.62500 -1.0 2.0
   68    62    79    80   3.62500 -1.0 2.0
   68    71    75    76   3.62500 -1.0 2.0
   68    71   -75    77   3.62500 -1.0 2.0
   69    68    71    72   3.62500 -1.0 2.0
   69    68    71    75   3.62500 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75    77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77   -79    62   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    62   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    62    68    69   3.62500 -1.0 2.0
   79    62   -68    71   3.62500 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    46    43    70   1.10000 -1.0 2.0
   43    51    46    49   1.10000 -1.0 2.0
   33    50    49    46   1.10000 -1.0 2.0
   63    73    70    43   1.10000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
   45    41    44    47   1.00000 -1.0 2.0
   55    47    54    56  10.50000 -1.0 2.0
   68    79    62    57   4.00000 -1.0 2.0
   71    69    68    62   1.10000 -1.0 2.0
   75    72    71    68   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    62   1.10000 -1.0 2.0
END
