* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    221     413
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02110    87.15233   -73.62650
    3     1 S   H    _H1_     3     1.02028    93.23042    34.98766
    4     1 S   H    _H2_     4     1.02080    33.16590   154.98191
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C5_    36     1.83212    98.12699   -78.19110
   34    33 S   HC   _H3_    37     1.09455   106.69629    40.99828
   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   _C6_    38     1.51295   109.46780   159.98902
   39    38 S   CM   _C7_    39     1.34223   122.81899    97.33894
   40    39 S   HC   _H8_    40     1.08454   122.03923   179.98022
   41    38 S   CT   _C10    48     1.50511   116.58351   -84.20237
   42    41 S   HC   _H9_    49     1.09344   107.83837    61.52903
   43    41 S   HC   _H10    50     1.09356   107.39552   177.23622
   44    39 S   CO4  _C8_    41     1.47607   121.01573    -1.56210
   45    44 S   O    _O33    42     1.22061   122.95373  -173.60972
   46    41 S   CT1  _C11    51     1.52917   112.57987   -60.92059
   47    46 S   HC   _H4_    52     1.09851   109.30820    60.08275
   48    44 S   CO4  _C9_    43     1.50381   118.13003     6.31867
   49    48 S   O    _O34    44     1.22205   118.73134  -166.53216
   50    46 S   CO3  _C12    53     1.53947   112.90088   179.22848
   51    50 S   O2Z  _O36    54     1.26205   116.51272    59.27358
   52    50 S   O2Z  _O35    55     1.26576   114.35237  -120.39088
   53    46 S   NE   _N4_    56     1.44640   110.89027   -56.78295
   54    53 S   H    _H11    57     1.02712   124.75522   -61.25899
   55    33 S   CT   _C4_    45     1.53009   109.93428   -75.77166
   56    55 S   HC   _H6_    46     1.09732   109.88310   165.11640
   57    55 S   HC   _H7_    47     1.09615   111.63281    46.46511
   58    53 S   CM   _C13    58     1.55817   119.44712   118.71812
   59    58 S   HC   _H12    59     1.09819   122.69899     0.05595
   60    58 S   CM   _C14    60     1.46297   116.50045  -179.92598
   61    60 S   HC   _H13    61     1.08263   120.11105   -30.02292
   62    60 S   CM   _C15    62     1.34078   118.29241   150.00212
   63    62 S   CM   _C19    63     1.45751   121.78146    -0.04846
   64    63 S   HC   _H17    64     1.08548   118.37758    12.57239
   65    63 S   CM   _C18    65     1.34230   120.01074  -168.23298
   66    65 S   NE   _N5_    66     1.37594   123.18597     2.68132
   67    66 S   H    _H16    67     1.00477   118.08305  -161.05297
   68    65 S   CMA  _C20    76     1.51409   116.81481  -178.73421
   69    68 S   OM   _O38    77     1.26293   115.07017   -60.00408
   70    68 S   OM   _O37    78     1.26288   115.05956   120.00650
   71    66 S   CT1  _C17    68     1.44893   121.51665     9.53281
   72    71 S   HC   _H5_    69     1.07798   111.32648    89.48985
   73    62 S   CT   _C16    70     1.51829   122.18986   178.93137
   74    73 S   HC   _H14    71     1.08914   110.88261   -92.90332
   75    73 S   HC   _H15    72     1.09172   107.27533    24.66519
   76    71 S   CO3  _C21    73     1.50973   106.12682  -151.83561
   77    76 S   O2Z  _O40    74     1.26243   115.27253    59.89828
   78    76 S   O2Z  _O39    75     1.26336   114.80334  -120.05366
  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   9   5   4   3
  14   7   2   1   1  15  10   4  12   5   4   6   3   9   6   4
   3   5   2   1   6   3   2   1   1   6   3   9   3  11  11   4
   9  12   5   3   1   1   7   6   5   2   1   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    56    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    48    49    55    56    57    41    42    43    46  
   38    39    48    55    56    57    41  
   36    37  
   37  
    0  
   39    40    44    45    48    55    56    57    41    42    43    46    47    50    53  
   40    44    45    48    49    55    41    42    43    46  
   44    45    48    41  
   42    43    46    47    50    51    52    53    54    58    44    55  
   43    46    47    50    53  
   46    47    50    53  
   45    48    49    55    56    57  
   48    49    55  
   47    50    51    52    53    54    58    59    60  
   50    51    52    53    54    58  
   49    55    56    57  
   55    56    57  
   51    52    53    54    58  
   52    53  
   53  
   54    58    59    60    61    62  
   58    59    60  
   56    57  
   57  
    0  
   59    60    61    62    63    73  
   60    61    62  
   61    62    63    64    65    71    73    74    75  
   62    63    73  
   63    64    65    66    71    72    73    74    75    76    68  
   64    65    66    67    71    73    74    75    68    69    70  
   65    66    73    68  
   66    67    71    72    73    76    68    69    70  
   67    71    72    73    74    75    76    77    78    68    69    70  
   71    72    73    76    68  
   69    70    71  
   70  
    0  
   72    73    74    75    76    77    78  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76  
   76  
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   54   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   66   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   70   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   268.000  1.529
   38    39   549.000  1.340
   38    41   317.000  1.510
   39    40   340.000  1.080
   39    44   320.000  1.462
   44    45   570.000  1.229
   44    48   250.000  1.523
   48    49   570.000  1.229
   48    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.522
   46    53   382.000  1.448
   50    51   656.000  1.250
   50    52   656.000  1.250
   53    54   434.000  1.010
   53    58   425.000  1.378
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   549.000  1.340
   62    73   317.000  1.510
   63    64   340.000  1.080
   63    65   380.000  1.444
   65    66   425.000  1.378
   65    68   465.000  1.376
   66    67   434.000  1.010
   66    71   382.000  1.448
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   76    77   656.000  1.250
   76    78   656.000  1.250
   68    69   745.000  1.250
   68    70   745.000  1.250
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  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    55    48    63.00000  111.10000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    65.00000  118.96000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    46    70.00000  112.02700
   39    44    45    80.00000  123.72100
   39    44    48    65.00000  116.00000
   44    39    40    40.00000  117.72500
   44    48    49    80.00000  119.30300
   44    48    55    65.00000  115.45000
   48    44    45    80.00000  119.30300
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    48    49    80.00000  120.40000
   57    55    56    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    46    47    37.50000  110.70000
   41    46    50    63.00000  111.10000
   41    46    53    80.00000  111.61500
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    50    51    70.00000  117.00000
   46    50    52    70.00000  117.00000
   46    53    54    35.00000  112.50000
   46    53    58    50.00000  121.00000
   50    46    47    35.00000  109.50000
   52    50    51    80.00000  126.00000
   53    46    47    35.00000  109.50000
   53    46    50    63.00000  110.10000
   53    58    59    50.00000  112.30800
   53    58    60    70.00000  124.03900
   58    53    54    35.00000  114.50000
   58    60    61    35.00000  120.00000
   58    60    62    70.00000  123.01800
   60    58    59    35.00000  120.00000
   60    62    63    70.00000  123.01800
   60    62    73    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    70.00000  123.01800
   62    73    71    70.00000  112.02700
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   63    65    66    70.00000  124.03900
   63    65    68    70.00000  117.34000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  114.50000
   65    66    71    50.00000  121.00000
   65    68    69    65.00000  137.10300
   65    68    70    65.00000  137.10300
   66    71    72    35.00000  109.50000
   66    71    73    80.00000  111.61500
   66    71    76    63.00000  110.10000
   71    66    67    35.00000  112.50000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    76    77    70.00000  117.00000
   71    76    78    70.00000  117.00000
   73    62    63    70.00000  124.00000
   73    71    72    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    63.00000  111.10000
   78    76    77    80.00000  126.00000
   68    65    66    70.00000  124.03900
   70    68    69    65.00000  121.00000
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   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  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   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    55    48   0.56750  1.0 1.0
   29    33    55    48  -0.07550 -1.0 2.0
   29    33    55    48   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    46   0.46850  1.0 1.0
   33    38    41    46   0.08550 -1.0 2.0
   33    38    41    46   0.09800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    55    48  -0.11250  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    57   0.15000  1.0 3.0
   38    33    55    48  -0.98800  1.0 1.0
   38    33    55    48   0.48800 -1.0 2.0
   38    33    55    48   0.76800  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    39    44    45   1.00000 -1.0 2.0
   38    39   -44    48   0.50400  1.0 1.0
   38    39   -44    48   1.60000 -1.0 2.0
   38    39   -44    48  -0.01800  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    50  -0.98800  1.0 1.0
   38    41    46    50   0.48800 -1.0 2.0
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   38    41    46    53   0.21700  1.0 1.0
   38    41    46    53   0.68550 -1.0 2.0
   38    41    46    53  -0.27950  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
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   39    38    41    46   0.09850  1.0 1.0
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   39    38    41    46  -0.50650  1.0 3.0
   39    44    48    49   0.03000  1.0 1.0
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   39    44    48    49   0.15550  1.0 3.0
   39    44    48    55   0.43900  1.0 1.0
   39    44    48    55  -0.18150 -1.0 2.0
   39    44    48    55  -0.03650  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.92800 -1.0 2.0
   44    48   -55    33   0.65300  1.0 1.0
   44    48   -55    33  -0.03850 -1.0 2.0
   44    48   -55    33   0.33900  1.0 3.0
   44    48    55    56   0.00000  1.0 1.0
   44    48    55    57   0.00000  1.0 1.0
   45    44    48    49   0.06100 -1.0 2.0
   45    44    48    55   0.49600 -1.0 2.0
   49    48    55    33   0.30150 -1.0 2.0
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   55    33   -38    39   0.09850  1.0 1.0
   55    33   -38    39   0.15250 -1.0 2.0
   55    33   -38    39  -0.50650  1.0 3.0
   55    33    38    41   0.46850  1.0 1.0
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   55    33    38    41   0.09800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    46    50    51   0.00000  1.0 1.0
   41    46    50    52   0.00000  1.0 1.0
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   41    46    53    58   0.25450  1.0 1.0
   41    46    53    58  -0.61700 -1.0 2.0
   41    46    53    58  -0.23550  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    50  -0.03800  1.0 3.0
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   43    41    46    53   0.22950  1.0 3.0
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   47    46    50    51   0.00000  1.0 1.0
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   63    65   -66    71  -0.54700  1.0 1.0
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   72    71    76    77   0.00000  1.0 1.0
   72    71    76    78   0.00000  1.0 1.0
   73    62    63    64   7.00000 -1.0 2.0
   73    62   -63    65   7.00000 -1.0 2.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    78   0.00000  1.0 1.0
   76    71    73    62  -0.98800  1.0 1.0
   76    71    73    62   0.48800 -1.0 2.0
   76    71    73    62   0.76800  1.0 3.0
   76    71    73    74  -0.03800  1.0 3.0
   76    71    73    75  -0.03800  1.0 3.0
   68    65    66    67   1.00000 -1.0 2.0
   68    65    66    71  -0.54700  1.0 1.0
   68    65    66    71   1.23000 -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
   44    40    39    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   44    55    48    49  10.50000 -1.0 2.0
   51    46    50    52  10.50000 -1.0 2.0
   54    58    53    46   1.00000 -1.0 2.0
   53    59    58    60  15.00000 -1.0 2.0
   62    61    60    58  15.00000 -1.0 2.0
   60    73    62    63   1.10000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   63    66    65    68   1.10000 -1.0 2.0
   67    65    66    71   1.00000 -1.0 2.0
   77    71    76    78  10.50000 -1.0 2.0
   69    70    68    65   1.10000 -1.0 2.0
END
