* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    239     431
    1     0 S   NP   _N1_     1    28.02240    96.43966   -23.61135
    2     1 S   H    _HN1     2     1.02957    80.41620   -11.20240
    3     1 S   H    _H1_     3     1.02836    28.39780   148.54820
    4     1 S   H    _H2_     4     1.02778   108.26592  -117.47028
    5     1 S   CT   _CA1     5     1.50152   131.20444    97.58033
    6     5 S   HC   _HA1     6     1.09576   105.18650    82.50821
    7     5 S   CO3  _C1_     7     1.53765   112.27042   -37.62842
    8     7 S   O2Z  _O11     8     1.26369   114.98931   -45.23343
    9     7 S   O2Z  _O12     9     1.26224   114.92125   133.64303
   10     5 S   CT   _CB1    10     1.53076   107.39631  -159.63829
   11    10 S   HC   HB11    11     1.09833   109.27748   -50.30456
   12    10 S   HC   HB12    12     1.09813   110.46399    66.22447
   13    10 S   CT   _CG1    13     1.53049   112.71811  -171.34061
   14    13 S   HC   HG11    14     1.09588   110.55776   -65.67204
   15    13 S   HC   HG12    15     1.09660   109.86778    53.55849
   16    13 S   C    _CD1    16     1.51863   112.16074   173.89652
   17    16 S   O    _OE1    17     1.22780   123.22770     4.05811
   18    16 S   N    _N2_    18     1.38549   111.86607  -175.94860
   19    18 S   H    _HN2    19     1.01582   119.19682     3.24606
   20    18 S   CT1  _CA2    20     1.45829   122.73895   177.36597
   21    20 S   HC   _HA2    21     1.09744   108.79916    26.88005
   22    20 S   C    _C2_    22     1.52979   107.07710   -90.03486
   23    22 S   O    _O2_    23     1.22973   123.11824   -26.77794
   24    20 S   CT   _CB2    32     1.53272   112.38621   150.05807
   25    24 S   HC   HB21    33     1.09482   109.78849    53.88920
   26    24 S   HC   HB22    34     1.09399   109.74724   172.61680
   27    22 S   N    _N3_    24     1.38521   112.51785   155.77014
   28    27 S   H    _HN3    25     1.01649   120.34614    -1.75390
   29    24 S   S    _SG2    35     1.82804   110.79519   -66.88354
   30    27 S   CT   _CA3    26     1.45342   122.49461   178.63786
   31    30 S   HC   HA31    27     1.09566   107.74052   -57.40935
   32    30 S   HC   HA32    28     1.09564   107.67683    58.92298
   33    29 S   CT   _C21    36     1.89967   101.17813  -173.22130
   34    30 S   CO3  _C3_    29     1.52894   114.32005  -179.25244
   35    34 S   O2Z  _O31    30     1.26340   116.06871     0.10468
   36    34 S   O2Z  _O32    31     1.26441   114.40943  -179.89913
   37    33 S   CO4  _C22    37     1.54917   106.90521  -178.56006
   38    37 S   O    _O37    38     1.23860   120.81054   -33.94239
   39    33 S   CT   _C20    69     1.55613   111.40061   -54.76203
   40    39 S   OM   _O39    70     1.32304   112.61258   -58.92817
   41    39 S   HC   _H4_    71     1.10029   106.95607    74.31205
   42    33 S   C    _C23    74     1.55677   105.12251    65.33333
   43    42 S   O    _O38    75     1.23026   123.55871  -114.84016
   44    37 S   CT   _C16    39     1.55438   118.47435   152.58998
   45    42 S   N    _N4_    76     1.37759   115.05133    65.00171
   46    45 S   H    _H13    77     1.01561   122.03923    -0.88889
   47    45 S   H    _H14    78     1.01354   120.60945  -179.87028
   48    44 S   CMA  _C15    40     1.55780   115.37610  -111.09869
   49    48 S   OM   _O35    41     1.26660   111.47144   -40.57965
   50    44 S   OH   _O40    72     1.45038   102.28226   133.32493
   51    50 S   HO   _H15    73     0.97488   105.94715    72.59901
   52    48 S   CM   _C7_    42     1.36163   118.65894   140.30947
   53    52 S   CM   _C6_    43     1.45872   124.64677     2.85896
   54    53 S   CM   _C5_    44     1.35414   121.31076  -163.25343
   55    53 S   CT   _C18    62     1.51166   114.21400    17.75494
   56    55 S   HC   _H11    63     1.09774   109.31713    71.73401
   57    55 S   HC   _H12    64     1.09458   112.47248  -170.47531
   58    54 S   CA   _C10    45     1.50009   119.52332     7.86791
   59    54 S   CT   _C4_    58     1.50663   121.05819  -168.60407
   60    59 S   HC   _H5_    59     1.09388   111.19569   -92.04444
   61    59 S   HC   _H6_    60     1.09534   111.93767    28.58609
   62    59 S   HC   _H7_    61     1.09513   111.50764   144.77620
   63    44 S   CT   _C17    65     1.53956   110.71193    21.47368
   64    63 S   HC   _H3_    66     1.09955   108.96030    68.75874
   65    58 S   CA   _C9_    46     1.41633   118.02741   -23.80394
   66    63 S   CO4  _C19    67     1.53481   114.71387   -48.97373
   67    66 S   O    _O36    68     1.23702   120.67255  -157.47279
   68    52 S   CO4  _C8_    47     1.50026   119.74928   177.66343
   69    68 S   O    _O34    48     1.22461   124.16252   -31.31735
   70    65 S   CA   _C14    49     1.40731   121.36228  -174.33940
   71    70 S   CA   _C13    50     1.38707   120.50705    -2.06933
   72    71 S   HA   _H9_    51     1.08628   120.67900  -179.50822
   73    70 S   OH   _O33    56     1.36939   123.65812   179.14453
   74    73 S   HO   _H10    57     0.97426   108.89093    -2.40216
   75    71 S   CA   _C12    52     1.38746   119.33851    -1.66941
   76    75 S   HA   _H8_    53     1.08809   118.60170  -177.00154
   77    58 S   CA   _C11    54     1.41578   125.42592   156.62100
   78    77 S   Cl   Cl1_    55     1.73450   124.21203    -9.83599
  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  11   5   4   3
  16   2   1   1  17   6  11   5   4   6   3  14   2   1   1  13
   5   6   1  12  16  15   9   4   3  14   5   2   1   1   3   2
  10   1   1   5   1   7   7   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    66    39    40    41    42    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    48    63    66    67    39    40    41    50    42    43    45    46    47  
   35    36  
   36  
    0  
   38    44    48    49    52    55    63    64    66    39    40    41    50    51    42    43    45  
   44    48    63    39    50    42  
   40    41    42    43    45    44    55    63    64    66    67  
   41    42    63    66    67  
   42    63    66    67  
   43    45    46    47    44    66  
   45    46    47  
   48    49    52    53    68    55    56    57    63    64    66    67    50    51  
   46    47  
   47  
    0  
   49    52    53    54    65    68    69    55    63    64    66    50    51  
   52    53    68    63    50  
   51    52    55    63    64    66  
   63  
   53    54    58    65    68    69    70    59    55    56    57    63  
   54    58    65    68    69    77    59    60    61    62    55    56    57    63    64    66  
   58    65    68    70    75    77    78    59    60    61    62    55    56    57    63  
   56    57    63    64    66    67    58    59    68  
   57    63    64    66  
   63    64    66  
   65    68    69    70    71    75    76    77    78    73    59    60    61    62  
   60    61    62    65    77  
   61    62  
   62  
    0  
   64    66    67  
   66    67  
   68    69    70    71    72    75    77    78    73    74  
   67  
    0  
   69    70    71    77    73  
   70  
   71    72    75    76    77    73    74  
   72    75    76    77    78    73    74  
   75    76    77    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    48   270.000  1.512
   44    63   268.000  1.529
   44    50   320.000  1.410
   48    49   745.000  1.250
   48    52   465.000  1.376
   52    53   380.000  1.444
   52    68   320.000  1.462
   53    54   549.000  1.340
   53    55   317.000  1.510
   54    58   320.000  1.460
   54    59   317.000  1.510
   58    65   469.000  1.400
   58    77   469.000  1.400
   65    68   310.000  1.470
   65    70   469.000  1.400
   68    69   570.000  1.229
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   73    74   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    66   317.000  1.522
   66    67   570.000  1.229
   66    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   50    51   553.000  0.945
   42    43   570.000  1.229
   42    45   490.000  1.335
   45    46   434.000  1.010
   45    47   434.000  1.010
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    66    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    45    70.00000  116.60000
   37    44    48    70.00000  109.06800
   37    44    63    63.00000  111.10000
   37    44    50    90.00000  109.61100
   44    37    38    80.00000  120.40000
   44    48    49    85.00000  112.85300
   44    48    52    65.00000  122.18000
   44    63    55    58.35000  112.70000
   44    63    64    37.50000  110.70000
   44    63    66    63.00000  111.10000
   44    50    51    55.00000  108.50000
   48    52    53    70.00000  117.34000
   48    52    68    60.00000  125.92000
   52    48    49    65.00000  137.10300
   52    53    54    70.00000  123.01800
   52    53    55    70.00000  124.00000
   52    68    65    65.00000  117.02400
   52    68    69    80.00000  123.72100
   53    54    58    60.00000  123.20500
   53    54    59    70.00000  124.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    63    70.00000  112.02700
   54    58    65    60.00000  120.93500
   54    58    77    60.00000  120.93500
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   58    65    68    60.00000  119.52600
   58    65    70    63.00000  120.00000
   58    77    75    63.00000  120.00000
   58    77    78    75.00000  120.00000
   65    68    69    75.00000  123.78400
   65    70    71    63.00000  120.00000
   65    70    73    70.00000  120.00000
   68    52    53    65.00000  118.96000
   70    65    68    60.00000  119.52600
   70    71    72    35.00000  120.00000
   70    71    75    63.00000  120.00000
   70    73    74    35.00000  113.00000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    58    65    63.00000  120.00000
   77    75    76    35.00000  120.00000
   73    70    71    70.00000  120.00000
   59    54    58    65.00000  118.87000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    53    54    70.00000  124.00000
   55    63    64    37.50000  110.70000
   55    63    66    63.00000  111.10000
   57    55    56    33.00000  107.80000
   63    44    48    70.00000  112.02700
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    66    67    80.00000  120.40000
   63    66    39    70.00000  116.00000
   66    63    64    35.00000  109.50000
   66    39    40    90.00000  108.74100
   66    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    66    67    80.00000  120.40000
   41    39    40    45.00000  125.66300
   50    44    48    90.00000  110.39200
   50    44    63    50.00000  109.50000
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    45    46    35.00000  119.80000
   42    45    47    35.00000  119.80000
   45    42    43    80.00000  122.90000
   47    45    46    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    66   0.56750  1.0 1.0
   29    33    39    66  -0.07550 -1.0 2.0
   29    33    39    66   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    45   0.00000  1.0 1.0
   33    37    44    48   0.65300  1.0 1.0
   33    37    44    48  -0.03850 -1.0 2.0
   33    37    44    48   0.33900  1.0 3.0
   33    37    44    63   0.60050  1.0 1.0
   33    37    44    63   0.05600 -1.0 2.0
   33    37    44    63   0.26150  1.0 3.0
   33    37    44    50   0.55300  1.0 1.0
   33    37    44    50   1.25850 -1.0 2.0
   33    37    44    50  -0.23600  1.0 3.0
   33    42    45    46   2.45000 -1.0 2.0
   33    42    45    47   2.45000 -1.0 2.0
   37    33    39    66   0.11950  1.0 1.0
   37    33    39    66   0.20300 -1.0 2.0
   37    33    39    66  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    45   0.00000  1.0 1.0
   37    44    48    49   0.09700  1.0 1.0
   37    44    48    49   0.15600 -1.0 2.0
   37    44    48    49  -0.50800  1.0 3.0
   37    44    48    52  -0.51250  1.0 1.0
   37    44    48    52  -0.88800 -1.0 2.0
   37    44    48    52   0.08850  1.0 3.0
   37    44    63    55  -0.95700  1.0 1.0
   37    44    63    55  -0.18200 -1.0 2.0
   37    44    63    55   0.29450  1.0 3.0
   37    44    63    64  -0.11250  1.0 3.0
   37    44   -63    66   0.11950  1.0 1.0
   37    44   -63    66   0.20300 -1.0 2.0
   37    44   -63    66  -0.70800  1.0 3.0
   37    44    50    51   0.91850  1.0 1.0
   37    44    50    51   0.57950  1.0 3.0
   38    37    44    48   0.30150 -1.0 2.0
   38    37    44    63   0.30150 -1.0 2.0
   38    37    44    50   0.30150 -1.0 2.0
   44    48    52    53   7.00000 -1.0 2.0
   44    48    52    68   7.00000 -1.0 2.0
   44    63    66    67   0.30150 -1.0 2.0
   44    63    66    39   0.60050  1.0 1.0
   44    63    66    39   0.05600 -1.0 2.0
   44    63    66    39   0.26150  1.0 3.0
   48    44    63    55   0.34400  1.0 1.0
   48    44    63    55   0.09450 -1.0 2.0
   48    44    63    55   0.11100  1.0 3.0
   48    44    63    64   0.15000  1.0 3.0
   48    44    63    66  -0.98800  1.0 1.0
   48    44    63    66   0.48800 -1.0 2.0
   48    44    63    66   0.76800  1.0 3.0
   48    44    50    51  -0.07800  1.0 1.0
   48    44    50    51  -0.21500 -1.0 2.0
   48    44    50    51  -0.03150  1.0 3.0
   48    52    53    54   0.28850  1.0 1.0
   48    52    53    54   2.61350 -1.0 2.0
   48    52    53    54   0.78400  1.0 3.0
   48    52   -53    55  -0.18600  1.0 3.0
   48    52    68    65  -1.65800  1.0 1.0
   48    52    68    65   0.77650 -1.0 2.0
   48    52    68    69   1.00000 -1.0 2.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    68   7.00000 -1.0 2.0
   52    53    54    58   7.00000 -1.0 2.0
   52    53    54    59   7.00000 -1.0 2.0
   52    53    55    56   0.00000  1.0 1.0
   52    53    55    57   0.00000  1.0 1.0
   52    53    55    63   0.98200  1.0 1.0
   52    53    55    63  -0.11900 -1.0 2.0
   52    53    55    63   0.24250  1.0 3.0
   53    52    68    65  -1.65800  1.0 1.0
   53    52    68    65   0.77650 -1.0 2.0
   53    52    68    69   1.00000 -1.0 2.0
   53    54   -58    65   0.15800  1.0 1.0
   53    54   -58    65   1.85350 -1.0 2.0
   53    54   -58    65  -0.48700  1.0 3.0
   53    54    58    77   0.15800  1.0 1.0
   53    54    58    77   1.85350 -1.0 2.0
   53    54    58    77  -0.48700  1.0 3.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    62   0.00000  1.0 1.0
   53    55   -63    44   0.34400  1.0 1.0
   53    55   -63    44   0.09450 -1.0 2.0
   53    55   -63    44   0.11100  1.0 3.0
   53    55    63    64   0.15000  1.0 3.0
   53    55    63    66  -0.98800  1.0 1.0
   53    55    63    66   0.48800 -1.0 2.0
   53    55    63    66   0.76800  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    63   0.09850  1.0 1.0
   54    53    55    63   0.15250 -1.0 2.0
   54    53    55    63  -0.50650  1.0 3.0
   54    58    65    68   3.62500 -1.0 2.0
   54    58    65    70   3.62500 -1.0 2.0
   54    58    77    75   3.62500 -1.0 2.0
   54    58    77    78   3.62500 -1.0 2.0
   58    54    59    60   0.77000  1.0 3.0
   58    54    59    61   0.77000  1.0 3.0
   58    54    59    62   0.77000  1.0 3.0
   58    65   -68    52  -0.11500  1.0 1.0
   58    65   -68    52   1.10450 -1.0 2.0
   58    65   -68    52  -0.48050  1.0 3.0
   58    65    68    69   1.05000 -1.0 2.0
   58    65    70    71   3.62500 -1.0 2.0
   58    65    70    73   3.62500 -1.0 2.0
   65    58    77    75   3.62500 -1.0 2.0
   65    58    77    78   3.62500 -1.0 2.0
   65    70    71    72   3.62500 -1.0 2.0
   65    70   -71    75   3.62500 -1.0 2.0
   65    70    73    74   0.84100 -1.0 2.0
   68    52   -53    54  -0.18600  1.0 3.0
   68    52    53    55   1.08500 -1.0 2.0
   68    65    70    71   3.62500 -1.0 2.0
   68    65    70    73   3.62500 -1.0 2.0
   70    65    68    52  -0.11500  1.0 1.0
   70    65    68    52   1.10450 -1.0 2.0
   70    65    68    52  -0.48050  1.0 3.0
   70    65    68    69   1.05000 -1.0 2.0
   70    71    75    76   3.62500 -1.0 2.0
   70    71    75    77   3.62500 -1.0 2.0
   71    70    73    74   0.84100 -1.0 2.0
   71    75   -77    58   3.62500 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   76    75    77    58   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    58    65    68   3.62500 -1.0 2.0
   77    58   -65    70   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    75   3.62500 -1.0 2.0
   59    54    58    65  -0.02500  1.0 1.0
   59    54    58    65  -0.32150 -1.0 2.0
   59    54    58    65  -0.01500  1.0 3.0
   59    54    58    77  -0.02500  1.0 1.0
   59    54    58    77  -0.32150 -1.0 2.0
   59    54    58    77  -0.01500  1.0 3.0
   55    53    54    58   7.00000 -1.0 2.0
   55    53    54    59   7.00000 -1.0 2.0
   55    63    66    67   0.30150 -1.0 2.0
   55    63    66    39   0.60050  1.0 1.0
   55    63    66    39   0.05600 -1.0 2.0
   55    63    66    39   0.26150  1.0 3.0
   56    55    63    44   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    66  -0.11250  1.0 3.0
   57    55    63    44   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    66  -0.11250  1.0 3.0
   63    44    48    49   0.09700  1.0 1.0
   63    44    48    49   0.15600 -1.0 2.0
   63    44    48    49  -0.50800  1.0 3.0
   63    44   -48    52   0.09850  1.0 1.0
   63    44   -48    52   0.15250 -1.0 2.0
   63    44   -48    52  -0.50650  1.0 3.0
   63    44    50    51  -0.11600  1.0 1.0
   63    44    50    51  -0.09450 -1.0 2.0
   63    44    50    51   0.21250  1.0 3.0
   63    66   -39    33   0.60050  1.0 1.0
   63    66   -39    33   0.05600 -1.0 2.0
   63    66   -39    33   0.26150  1.0 3.0
   63    66    39    40   0.55300  1.0 1.0
   63    66    39    40   1.25850 -1.0 2.0
   63    66    39    40  -0.23600  1.0 3.0
   63    66    39    41   0.00000  1.0 1.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    39   0.00000  1.0 1.0
   67    66    39    33   0.30150 -1.0 2.0
   67    66    39    40   0.30150 -1.0 2.0
   67    66    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    45   1.39750  1.0 1.0
   39    33    42    45  -0.07950 -1.0 2.0
   39    33    42    45  -0.18750  1.0 3.0
   50    44    48    49   0.09700  1.0 1.0
   50    44    48    49   0.15600 -1.0 2.0
   50    44    48    49  -0.50800  1.0 3.0
   50    44    48    52   0.67800  1.0 1.0
   50    44    48    52   0.47050 -1.0 2.0
   50    44    48    52  -0.62500  1.0 3.0
   50    44    63    55   0.86500  1.0 1.0
   50    44    63    55  -0.17500 -1.0 2.0
   50    44    63    55   0.20800  1.0 3.0
   50    44    63    64   0.23400  1.0 3.0
   50    44    63    66  -0.09450  1.0 1.0
   50    44    63    66  -1.12950 -1.0 2.0
   50    44    63    66   0.54000  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    66   0.11950  1.0 1.0
   42    33    39    66   0.20300 -1.0 2.0
   42    33    39    66  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    45    46   2.45000 -1.0 2.0
   43    42    45    47   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   44    49    48    52   1.10000 -1.0 2.0
   53    68    52    48   1.10000 -1.0 2.0
   52    55    53    54   1.10000 -1.0 2.0
   58    59    54    53   1.10000 -1.0 2.0
   65    77    58    54   4.00000 -1.0 2.0
   68    70    65    58   4.00000 -1.0 2.0
   52    65    68    69  10.50000 -1.0 2.0
   71    73    70    65   4.00000 -1.0 2.0
   75    72    71    70   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   75    78    77    58   4.00000 -1.0 2.0
   63    39    66    67  10.50000 -1.0 2.0
   33    45    42    43  10.50000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
END
