* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    221     413
    1     0 S   NP   _N1_     1    28.97961    97.67092   -22.15422
    2     1 S   H    _HN1     2     1.02785   104.76394  -110.00572
    3     1 S   H    _H1_     3     1.02798    67.51733    -5.76596
    4     1 S   H    _H2_     4     1.02946    43.52955   149.48725
    5     1 S   CT   _CA1     5     1.50538   140.94288    90.88326
    6     5 S   HC   _HA1     6     1.09692   104.42109   102.74468
    7     5 S   CO3  _C1_     7     1.54557   111.00190   -12.80466
    8     7 S   O2Z  _O11     8     1.26022   116.80991  -125.88733
    9     7 S   O2Z  _O12     9     1.26657   113.77497    52.59226
   10     5 S   CT   _CB1    10     1.53285   106.97748  -140.80286
   11    10 S   HC   HB11    11     1.09822   110.47736   -36.48185
   12    10 S   HC   HB12    12     1.09723   110.44462    80.63251
   13    10 S   CT   _CG1    13     1.52735   111.42482  -156.52957
   14    13 S   HC   HG11    14     1.09481   110.87022   -57.99538
   15    13 S   HC   HG12    15     1.09389   108.73518    60.83787
   16    13 S   C    _CD1    16     1.51578   113.19363  -178.53941
   17    16 S   O    _OE1    17     1.22750   123.13005    16.43680
   18    16 S   N    _N2_    18     1.38679   111.60086  -165.39185
   19    18 S   H    _HN2    19     1.01990   118.88212     6.48180
   20    18 S   CT1  _CA2    20     1.46121   123.56735  -176.08969
   21    20 S   HC   _HA2    21     1.09749   109.19993    -8.75221
   22    20 S   C    _C2_    22     1.53489   109.56226  -124.33472
   23    22 S   O    _O2_    23     1.23107   121.95635  -152.10488
   24    20 S   CT   _CB2    32     1.53520   110.98896   112.91334
   25    24 S   HC   HB21    33     1.09580   109.71901    52.66871
   26    24 S   HC   HB22    34     1.09459   110.76515   171.76091
   27    22 S   N    _N3_    24     1.38389   113.75138    36.07983
   28    27 S   H    _HN3    25     1.01523   119.00894    -5.04391
   29    24 S   S    _SG2    35     1.82951   111.39715   -68.92044
   30    27 S   CT   _CA3    26     1.45383   123.22738   174.73169
   31    30 S   HC   HA31    27     1.09552   108.72249    33.20420
   32    30 S   HC   HA32    28     1.09490   107.24646   150.06520
   33    29 S   CT   _C5_    36     1.84289   100.07411   153.48812
   34    33 S   HC   _H3_    37     1.09560   107.61992   -48.81269
   35    30 S   CO3  _C3_    29     1.52979   113.52180   -89.95100
   36    35 S   O2Z  _O31    30     1.26404   115.69054   -41.80811
   37    35 S   O2Z  _O32    31     1.26438   114.91794   139.12249
   38    33 S   CM   _C6_    38     1.51815   107.88029  -166.52852
   39    38 S   CM   _C7_    39     1.34377   122.81287   -96.79945
   40    39 S   HC   _H8_    40     1.08458   122.06383   179.35959
   41    38 S   CT   _C10    48     1.51735   116.75401    82.68426
   42    41 S   HC   _H9_    49     1.09855   109.86633  -157.83967
   43    41 S   HC   _H10    50     1.09788   108.24028   -44.08902
   44    39 S   CO4  _C8_    41     1.47573   121.02903     0.71354
   45    44 S   O    _O33    42     1.22115   122.65274   174.10638
   46    41 S   CT1  _C11    51     1.53634   112.69604    78.36244
   47    46 S   HC   _H4_    52     1.09721   111.82743   -33.55228
   48    44 S   CO4  _C9_    43     1.50715   117.93241    -5.87300
   49    48 S   O    _O34    44     1.22195   119.17834   165.78820
   50    46 S   CO3  _C12    53     1.53834   109.27314    86.95311
   51    50 S   O2Z  _O36    54     1.26462   116.20584    72.07743
   52    50 S   O2Z  _O35    55     1.26550   114.58806  -107.39489
   53    46 S   NE   _N4_    56     1.45486   109.46354  -154.84336
   54    53 S   H    _H11    57     1.01697   117.28592   -80.50020
   55    33 S   CT   _C4_    45     1.52857   111.75323    69.88038
   56    55 S   HC   _H6_    46     1.09477   112.03503   -49.17277
   57    55 S   HC   _H7_    47     1.09756   109.88733  -167.80086
   58    53 S   CM   _C13    58     1.37135   124.79842    87.14739
   59    58 S   HC   _H12    59     1.08582   111.63704    11.50646
   60    58 S   CM   _C14    60     1.34026   127.61482  -167.24959
   61    60 S   HC   _H13    61     1.08784   118.78102    -1.03098
   62    60 S   CM   _C15    62     1.45614   125.48468   178.20485
   63    62 S   CM   _C19    63     1.34696   123.48449   -28.73339
   64    63 S   HC   _H17    64     1.08450   120.96593     1.24772
   65    63 S   CM   _C18    65     1.44472   121.65445  -176.02803
   66    65 S   NE   _N5_    66     1.37608   118.49161    -6.41065
   67    66 S   H    _H16    67     1.01564   115.64455  -178.25213
   68    65 S   CMA  _C20    76     1.52823   119.95113   170.48461
   69    68 S   OM   _O38    77     1.26538   121.92171    31.64534
   70    68 S   OM   _O37    78     1.26524   120.38265  -148.48831
   71    66 S   CT1  _C17    68     1.45328   124.27757   -10.45387
   72    71 S   HC   _H5_    69     1.09787   108.59892   148.86210
   73    62 S   CT   _C16    70     1.51777   115.85446   155.63419
   74    73 S   HC   _H14    71     1.09738   110.31604   -38.17780
   75    73 S   HC   _H15    72     1.09898   107.23868    77.11956
   76    71 S   CO3  _C21    73     1.54255   106.95297   -96.97403
   77    76 S   O2Z  _O40    74     1.26344   116.67415   112.03103
   78    76 S   O2Z  _O39    75     1.26775   114.62331   -69.56524
  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
   38    41    46    50   0.76800  1.0 3.0
   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
   39    38    41    46   0.15250 -1.0 2.0
   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
   55    33    38    41   0.08550 -1.0 2.0
   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
   41    46    53    54   0.00000  1.0 1.0
   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    50  -0.03800  1.0 3.0
   43    41    46    53   0.22950  1.0 3.0
   46    53    58    59   0.00000  1.0 1.0
   46    53    58    60  -0.54700  1.0 1.0
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   47    46    50    51   0.00000  1.0 1.0
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   63    62    73    71  -0.50650  1.0 3.0
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   63    65   -66    71  -0.54700  1.0 1.0
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   63    65    68    69   7.00000 -1.0 2.0
   63    65    68    70   7.00000 -1.0 2.0
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   72    71    73    75   0.15000  1.0 3.0
   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
