* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    141    229     419
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050    60.40504    81.00809
    3     1 S   H    _H1_     3     1.02142    51.82835  -122.73081
    4     1 S   H    _H2_     4     1.02085   106.40547   -21.53093
    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   _C20    36     1.82763    97.96167  -178.16528
   34    33 S   HC   _H5_    37     1.09696   106.67674   -40.73978
   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   _C15    38     1.51299   109.88630  -159.99760
   39    38 S   CT   _C16    39     1.51353   116.15639   -81.59725
   40    39 S   HC   _H14    40     1.09808   108.79936    72.96947
   41    39 S   HC   _H15    41     1.09733   110.78485  -170.56085
   42    38 S   CM   _C14    54     1.34180   122.03881   101.69806
   43    42 S   HC   _H13    55     1.07974   121.28805    -3.52070
   44    39 S   CT   _C17    42     1.53132   111.65013   -47.87349
   45    44 S   HC   _H4_    43     1.09552   109.17374   169.63056
   46    42 S   CG   _C13    56     1.45938   118.05773   176.48269
   47    46 S   HC   _H12    57     1.09760   121.04964   -59.98438
   48    44 S   NP   _N5_    44     1.50643   109.94719    54.67455
   49    48 S   H    _H16    45     1.03023   109.14836   179.12464
   50    48 S   H    _H17    46     1.03062   109.14463    64.44013
   51    44 S   CO3  _C21    51     1.51963   111.11964   -73.42824
   52    51 S   O2Z  _O40    52     1.26216   115.32127   151.32788
   53    51 S   O2Z  _O39    53     1.26352   114.74898   -28.65780
   54    46 S   NIP  _N4_    58     1.53705   116.25894   120.02571
   55    33 S   CM   _C18    47     1.50922   109.44054    78.10953
   56    54 S   CA   _C6_    59     1.39336   128.26143   179.98022
   57    54 S   CT1  _C10    70     1.48755   121.44638     1.42010
   58    57 S   HC   _H3_    71     1.09375   108.89883    53.00672
   59    55 S   CMA  _C19    48     1.34107   123.55432  -103.49188
   60    59 S   OM   _O37    49     1.38873   118.77063   179.89347
   61    59 S   OM   _O38    50     1.38851   118.83450    -0.05595
   62    56 S   CA   _C7_    60     1.38166   127.55815     3.42285
   63    62 S   HA   _H7_    61     1.08443   122.20542     0.02798
   64    57 S   CO3  _C12    72     1.51400   107.68190   -67.65113
   65    64 S   O2Z  _O36    73     1.26139   115.29153   -60.76127
   66    64 S   O2Z  _O35    74     1.26331   114.76167   119.27223
   67    62 S   CA   _C8_    62     1.39685   117.20325   179.81655
   68    67 S   CA   _C9_    63     1.40548   120.72345     0.13706
   69    67 S   OH   _O34    77     1.36383   119.14781  -179.91844
   70    69 S   HO   _H9_    78     0.96991   110.11292     0.03956
   71    68 S   CA   _C4_    64     1.39788   120.80200     0.06853
   72    71 S   HA   _H6_    65     1.08525   120.86896   179.49681
   73    68 S   OH   _O33    75     1.36392   120.09687   179.84677
   74    73 S   HO   _H8_    76     0.96996   110.15959  -179.75934
   75    56 S   CA   _C5_    66     1.39019   109.66432  -176.55912
   76    75 S   CT   _C11    67     1.49618   111.41497     1.44564
   77    76 S   HC   _H10    68     1.09542   109.78705   113.42194
   78    76 S   HC   _H11    69     1.09492   111.39485  -125.61051
  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  14  14   6   5   8   3   9   7   9   3   9
   4   3   3   1   1  14   3  14  10   7   2   1   1   9   4   6
   2   1   8   8   3   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    55    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    50    55    59    60    61    42    43    46  
   38    39    48    55    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    55    59    51    42    43    46    47    54  
   40    41    44    45    48    49    50    55    51    52    53    42    43    46  
   41    44    45    48    51    42  
   44    45    48    51    42  
   43    46    47    54    56    57    44    55  
   46    47    54  
   45    48    49    50    55    59    51    52    53  
   48    49    50    55    51    52    53  
   47    54    56    62    75    76    57    58    64  
   54    56    57  
   49    50    55    59    60    61    51    52    53  
   50    55    59    51  
   55    59    51  
   52    53    55  
   53  
    0  
   56    62    63    67    71    75    76    77    78    57    58    64    65    66  
   59    60    61  
   62    63    67    68    71    72    75    76    77    78    57    58    64    69  
   58    64    65    66    62    71    75    76    77    78  
   64    65    66    75    76    77    78  
   60    61  
   61  
    0  
   63    67    68    71    75    76    73    69    70  
   67    68    75    69  
   65    66    75    76    77    78  
   66    76  
   76  
   68    71    72    75    73    74    69    70  
   71    72    75    76    73    74    69    70  
   70    71    73  
    0  
   72    75    76    77    78    73    74  
   75    76    73  
   74    75  
    0  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700   0.135000   2.2900   2.0360   0.003973653   1.685851020
   49   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   52   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   53   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   54   3.2500   0.1700   0.218500   2.2900   2.0360   0.003973653   1.685851020
   55   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   61   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    55   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   367.000  1.471
   44    51   317.000  1.522
   48    49   434.000  1.010
   48    50   434.000  1.010
   48    55   280.000  1.473
   55    59   465.000  1.376
   59    60   745.000  1.250
   59    61   745.000  1.250
   51    52   656.000  1.250
   51    53   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    54   635.000  1.286
   54    56   340.000  1.432
   54    57   280.000  1.462
   56    62   469.000  1.400
   56    75   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    71   469.000  1.400
   68    73   450.000  1.364
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    57   268.000  1.529
   57    58   340.000  1.090
   57    64   317.000  1.522
   64    65   656.000  1.250
   64    66   656.000  1.250
   73    74   553.000  0.945
   69    70   553.000  0.945
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    55    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    48    80.00000  107.80000
   33    55    59    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.20000
   39    44    51    70.00000  109.69300
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    55    70.00000  115.12000
   44    51    52    70.00000  117.00000
   44    51    53    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    55    59    65.00000  118.08000
   50    48    49    35.00000  109.50000
   55    33    34    35.00000  109.50000
   55    33    38    70.00000  110.12100
   55    48    49    50.00000  110.25200
   55    48    50    50.00000  110.25200
   55    59    60    65.00000  137.10300
   55    59    61    65.00000  137.10300
   61    59    60    65.00000  121.00000
   51    44    45    35.00000  109.50000
   51    44    48    80.00000  109.26000
   53    51    52    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    54    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    54    56    65.00000  127.86000
   46    54    57    70.00000  122.59000
   54    46    47    45.00000  118.03900
   54    56    62    70.00000  116.83300
   54    56    75    70.00000  116.83300
   54    57    76    75.00000  111.57000
   54    57    58    50.00000  106.46400
   54    57    64    75.00000  110.00000
   56    62    63    35.00000  120.00000
   56    62    67    63.00000  120.00000
   56    75    71    63.00000  120.00000
   56    75    76    70.00000  120.00000
   62    67    68    63.00000  120.00000
   62    67    69    70.00000  120.00000
   67    62    63    35.00000  120.00000
   67    68    71    63.00000  120.00000
   67    68    73    70.00000  120.00000
   67    69    70    35.00000  113.00000
   68    71    72    35.00000  120.00000
   68    71    75    63.00000  120.00000
   68    73    74    35.00000  113.00000
   71    75    76    70.00000  120.00000
   75    56    62    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    57    63.00000  114.00000
   76    57    58    37.50000  110.70000
   76    57    64    63.00000  111.10000
   78    76    77    33.00000  107.80000
   57    54    56    70.00000  121.00000
   57    76    77    37.50000  110.70000
   57    76    78    37.50000  110.70000
   57    64    65    70.00000  117.00000
   57    64    66    70.00000  117.00000
   64    57    58    35.00000  109.50000
   66    64    65    80.00000  126.00000
   73    68    71    70.00000  120.00000
   69    67    68    70.00000  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    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    55    48   0.09700  1.0 1.0
   29    33    55    48   0.15600 -1.0 2.0
   29    33    55    48  -0.50800  1.0 3.0
   29    33    55    59   0.42700  1.0 1.0
   29    33    55    59  -0.70350 -1.0 2.0
   29    33    55    59  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    55    59    60   7.00000 -1.0 2.0
   33    55    59    61   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    55    48   0.00000  1.0 1.0
   34    33    55    59   0.00000  1.0 1.0
   38    33    55    48   0.09700  1.0 1.0
   38    33    55    48   0.15600 -1.0 2.0
   38    33    55    48  -0.50800  1.0 3.0
   38    33    55    59  -0.28300  1.0 1.0
   38    33    55    59   0.26700 -1.0 2.0
   38    33    55    59  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48  -0.47300  1.0 1.0
   38    39   -44    48   0.29700 -1.0 2.0
   38    39   -44    48   0.83300  1.0 3.0
   38    39    44    51  -0.98800  1.0 1.0
   38    39    44    51   0.48800 -1.0 2.0
   38    39    44    51   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    54   1.09700  1.0 1.0
   38    42    46    54   0.56350 -1.0 2.0
   38    42    46    54   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.17350  1.0 3.0
   39    44    48    50   0.17350  1.0 3.0
   39    44    48    55   0.47100  1.0 1.0
   39    44    51    52   0.41150 -1.0 2.0
   39    44    51    53   0.41150 -1.0 2.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.19200  1.0 3.0
   40    39    44    51  -0.11250  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.19200  1.0 3.0
   41    39    44    51  -0.11250  1.0 3.0
   44    48   -55    33   0.00000  1.0 1.0
   44    48    55    59   0.00000  1.0 1.0
   45    44    48    49   0.13050  1.0 3.0
   45    44    48    50   0.13050  1.0 3.0
   45    44    48    55   0.15000  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   48    44    51    52   0.30150 -1.0 2.0
   48    44    51    53   0.30150 -1.0 2.0
   48    55    59    60   7.00000 -1.0 2.0
   48    55    59    61   7.00000 -1.0 2.0
   49    48    55    33   0.00000  1.0 1.0
   49    48    55    59   0.00000  1.0 1.0
   50    48    55    33   0.00000  1.0 1.0
   50    48    55    59   0.00000  1.0 1.0
   55    33   -38    39   0.09700  1.0 1.0
   55    33   -38    39   0.15600 -1.0 2.0
   55    33   -38    39  -0.50800  1.0 3.0
   55    33    38    42  -0.28300  1.0 1.0
   55    33    38    42   0.26700 -1.0 2.0
   55    33    38    42  -0.63300  1.0 3.0
   51    44    48    49   0.17350  1.0 3.0
   51    44    48    50   0.17350  1.0 3.0
   51    44    48    55   0.47100  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    54    56   2.00000 -1.0 2.0
   42    46    54    57   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    54   0.97550 -1.0 2.0
   46    54    56    62   1.00000 -1.0 2.0
   46    54    56    75   1.00000 -1.0 2.0
   46    54    57    76   0.00000  1.0 1.0
   46    54    57    58  -0.22200  1.0 3.0
   46    54    57    64   0.00000  1.0 1.0
   47    46    54    56   2.00000 -1.0 2.0
   47    46    54    57   2.00000 -1.0 2.0
   54    56    62    63   3.62500 -1.0 2.0
   54    56    62    67   3.62500 -1.0 2.0
   54    56    75    71   3.62500 -1.0 2.0
   54    56   -75    76   3.62500 -1.0 2.0
   54    57    64    65   0.30150 -1.0 2.0
   54    57    64    66   0.30150 -1.0 2.0
   56    54   -57    76   0.00000  1.0 1.0
   56    54    57    58   0.00000  1.0 1.0
   56    54    57    64   0.00000  1.0 1.0
   56    62    67    68   3.62500 -1.0 2.0
   56    62    67    69   3.62500 -1.0 2.0
   56    75    76    77   0.00000  1.0 1.0
   56    75    76    78   0.00000  1.0 1.0
   56    75   -76    57   0.00000  1.0 1.0
   62    56    75    71   3.62500 -1.0 2.0
   62    56    75    76   3.62500 -1.0 2.0
   62    67   -68    71   3.62500 -1.0 2.0
   62    67    68    73   3.62500 -1.0 2.0
   62    67    69    70   0.84100 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    69   3.62500 -1.0 2.0
   67    68    71    72   3.62500 -1.0 2.0
   67    68    71    75   3.62500 -1.0 2.0
   67    68    73    74   0.84100 -1.0 2.0
   68    67    69    70   0.84100 -1.0 2.0
   68    71   -75    56   3.62500 -1.0 2.0
   68    71    75    76   3.62500 -1.0 2.0
   71    68    73    74   0.84100 -1.0 2.0
   71    75    76    77   0.00000  1.0 1.0
   71    75    76    78   0.00000  1.0 1.0
   71    75    76    57   0.00000  1.0 1.0
   72    71    75    56   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   75    56    62    63   3.62500 -1.0 2.0
   75    56   -62    67   3.62500 -1.0 2.0
   75    76   -57    54   0.56750  1.0 1.0
   75    76   -57    54  -0.07550 -1.0 2.0
   75    76   -57    54   0.20000  1.0 3.0
   75    76    57    58   0.23100  1.0 3.0
   75    76    57    64  -0.84850  1.0 1.0
   75    76    57    64  -0.22800 -1.0 2.0
   75    76    57    64   0.29250  1.0 3.0
   76    57    64    65   0.00000  1.0 1.0
   76    57    64    66   0.00000  1.0 1.0
   77    76    57    54   0.15000  1.0 3.0
   77    76    57    58   0.15000  1.0 3.0
   77    76    57    64  -0.03800  1.0 3.0
   78    76    57    54   0.15000  1.0 3.0
   78    76    57    58   0.15000  1.0 3.0
   78    76    57    64  -0.03800  1.0 3.0
   57    54    56    62   1.00000 -1.0 2.0
   57    54   -56    75   1.00000 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    66   0.00000  1.0 1.0
   73    68    71    72   3.62500 -1.0 2.0
   73    68    71    75   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    67    68    73   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    39    38    42   1.10000 -1.0 2.0
   33    48    55    59   1.10000 -1.0 2.0
   60    61    59    55   1.10000 -1.0 2.0
   52    44    51    53  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    54  10.50000 -1.0 2.0
   56    57    54    46   1.00000 -1.0 2.0
   62    75    56    54   4.00000 -1.0 2.0
   67    63    62    56   1.10000 -1.0 2.0
   68    69    67    62   4.00000 -1.0 2.0
   71    73    68    67   4.00000 -1.0 2.0
   75    72    71    68   1.10000 -1.0 2.0
   71    76    75    56   4.00000 -1.0 2.0
   65    57    64    66  10.50000 -1.0 2.0
END
