* LIGAND DATABASE FILE (OPLS2005)
*
001      79    79    140    217     420
    1     0 S   NP   _N1_     1    29.09271    97.82588   -17.85091
    2     1 S   H    _HN1     2     1.02953    76.26675    10.02911
    3     1 S   H    _H1_     3     1.02853    57.29977   131.08176
    4     1 S   H    _H2_     4     1.02803    73.31178  -104.13949
    5     1 S   CT   _CA1     5     1.50027   168.05720   136.72945
    6     5 S   HC   _HA1     6     1.09554   105.37196    54.24702
    7     5 S   CO3  _C1_     7     1.53726   112.49982   -66.35644
    8     7 S   O2Z  _O11     8     1.26426   115.30495   -44.49675
    9     7 S   O2Z  _O12     9     1.26257   115.37575   136.26432
   10     5 S   CT   _CB1    10     1.53287   107.52931   172.50367
   11    10 S   HC   HB11    11     1.09810   109.70778   -48.64735
   12    10 S   HC   HB12    12     1.09822   110.30690    68.05354
   13    10 S   CT   _CG1    13     1.52978   112.47836  -169.65151
   14    13 S   HC   HG11    14     1.09352   110.45119   -57.00698
   15    13 S   HC   HG12    15     1.09640   109.97616    61.83928
   16    13 S   C    _CD1    16     1.51802   112.66086  -177.68929
   17    16 S   O    _OE1    17     1.22696   123.25684   -11.08809
   18    16 S   N    _N2_    18     1.38544   111.50401   169.50566
   19    18 S   H    _HN2    19     1.01580   118.75440     4.79559
   20    18 S   CT1  _CA2    20     1.45911   123.39878   175.78750
   21    20 S   HC   _HA2    21     1.09692   109.37611    15.43840
   22    20 S   C    _C2_    22     1.52868   106.49393  -101.52506
   23    22 S   O    _O2_    23     1.22991   122.91226   -27.96364
   24    20 S   CT   _CB2    32     1.53081   111.67074   139.14304
   25    24 S   HC   HB21    33     1.09563   110.04801    48.99179
   26    24 S   HC   HB22    34     1.09522   110.82773   167.40167
   27    22 S   N    _N3_    24     1.38456   112.64949   154.79489
   28    27 S   H    _HN3    25     1.01659   120.41794    -1.80797
   29    24 S   S    _SG2    35     1.82798   111.08175   -73.65016
   30    27 S   CT   _CA3    26     1.45370   122.43432   178.69134
   31    30 S   HC   HA31    27     1.09567   107.72101   -57.76520
   32    30 S   HC   HA32    28     1.09565   107.68445    58.55270
   33    29 S   CT   _C8_    36     1.84209    99.82067   138.18683
   34    33 S   HC   _H5_    37     1.09697   107.96216    32.52099
   35    30 S   CO3  _C3_    29     1.52887   114.35652  -179.60933
   36    35 S   O2Z  _O31    30     1.26332   116.05905    -0.03956
   37    35 S   O2Z  _O32    31     1.26438   114.40847   179.94405
   38    33 S   CT   _C9_    38     1.53288   110.89081   151.19176
   39    38 S   HC   _H6_    39     1.09595   111.27123    56.68666
   40    38 S   OS   _O34    40     1.43379   110.27129   177.97861
   41    38 S   CO3  _C14    77     1.54410   112.60870   -64.89467
   42    41 S   O2Z  _O39    78     1.26366   115.99885   -45.08935
   43    41 S   O2Z  _O38    79     1.26484   114.56653   135.36509
   44    40 S   CT   _C10    41     1.43697   116.06308   -59.89223
   45    44 S   HC   _H7_    42     1.09761   103.83950   172.78681
   46    44 S   CT   _C6_    43     1.54148   110.12155    57.01232
   47    46 S   HC   _H3_    44     1.09315   109.34013  -172.94726
   48    44 S   CT   _C11    64     1.54696   110.79592   -72.78773
   49    48 S   HC   _H8_    65     1.09363   111.08586    55.65956
   50    33 S   CT   _C7_    45     1.54542   110.38649   -85.29535
   51    50 S   HC   _H4_    46     1.09754   107.39848    65.51911
   52    46 S   N    _N4_    56     1.46681   109.86338    72.18417
   53    52 S   H    _H13    57     1.01673   118.07008   -29.04692
   54    48 S   CT   _C12    66     1.53806   115.58201  -179.75292
   55    54 S   HC   _H9_    67     1.09348   110.94182   -61.81151
   56    48 S   OH   _O37    75     1.43680   107.25712   -58.84772
   57    56 S   HO   _H18    76     0.97362   106.84673   179.44503
   58    50 S   NG   _N5_    47     1.48751   111.57628   -50.22336
   59    58 S   H    _H19    48     1.01764   118.41195   -10.34442
   60    52 S   C    _C5_    58     1.38378   122.27004   155.85575
   61    60 S   O    _O33    59     1.22866   124.96085     0.03956
   62    54 S   CT   _C13    68     1.52784   114.27277    63.43025
   63    62 S   HC   _H14    69     1.09448   111.47221    66.55659
   64    62 S   HC   _H15    70     1.09304   111.69055   -56.63079
   65    54 S   OH   _O36    73     1.43545   107.24225  -176.67887
   66    65 S   HO   _H17    74     0.97399   106.80667  -176.05355
   67    58 S   CG   _C15    49     1.38521   124.16928   161.34067
   68    60 S   CT   _C4_    60     1.50394   112.77003   178.41959
   69    68 S   HC   _H10    61     1.09378   110.67583    40.41691
   70    68 S   HC   _H11    62     1.09347   109.55071   160.03396
   71    68 S   HC   _H12    63     1.09328   109.27518   -80.11830
   72    62 S   OH   _O35    71     1.42596   108.37637  -175.24148
   73    72 S   HO   _H16    72     0.97280   107.00912  -179.92338
   74    67 S   NG   _N7_    50     1.37952   118.73478  -177.66133
   75    74 S   H    _H22    51     1.01543   121.58107    -0.85638
   76    74 S   H    _H23    52     1.02003   121.21765   177.56836
   77    67 S   NG   _N6_    53     1.38005   122.09742     1.78674
   78    77 S   H    _H20    54     1.02006   120.76447  -176.62606
   79    77 S   H    _H21    55     1.01661   122.60110     0.50899
  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  10   5   4   3
  16   8   2   1   1  12   6  13   4   1   1  17   8  15   7  13
   6   9   4   8   3  10   7   3   1   8   3   5   4   6   4   3
   2   1   6   3   2   1   1   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    50    51    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    50    51    58    59    67    52    41    42    43  
   38    39    40    46    50    51    58    41  
   36    37  
   37  
    0  
   39    40    44    45    46    50    51    58    48    41    42    43  
   40    44    50    41    42    43  
   44    45    46    47    50    52    48    49    54    56    41    42    43  
   42    43    44    50  
   43  
    0  
   45    46    47    50    51    58    52    53    60    48    49    54    55    62    65    56    57  
   46    47    50    52    48    49    54    56  
   47    50    51    58    59    67    52    53    60    61    68    48    49    54    56  
   50    51    58    52    53    60    48  
   49    54    55    62    63    64    72    65    66    56    57    50    52  
   54    55    62    65    56    57  
   51    58    59    67    74    77    52    53    60  
   58    59    67    52  
   53    60    61    68    69    70    71    58  
   60    61    68  
   55    62    63    64    72    73    65    66    56    57  
   62    63    64    72    65    66    56  
   57    62    65  
    0  
   59    67    74    75    76    77    78    79  
   67    74    77  
   61    68    69    70    71  
   68    69    70    71  
   63    64    72    73    65    66  
   64    72    73    65  
   72    73    65  
   66    72  
    0  
   74    75    76    77    78    79  
   69    70    71  
   70    71  
   71  
    0  
   73  
    0  
   75    76    77    78    79  
   76    77  
   77  
   78    79  
   79  
    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   0.177500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.133000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   75   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   78   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   317.000  1.522
   40    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   337.000  1.449
   50    51   340.000  1.090
   50    58   337.000  1.463
   58    59   434.000  1.010
   58    67   481.000  1.340
   67    74   481.000  1.340
   67    77   481.000  1.340
   74    75   434.000  1.010
   74    76   434.000  1.010
   77    78   434.000  1.010
   77    79   434.000  1.010
   52    53   434.000  1.010
   52    60   490.000  1.335
   60    61   570.000  1.229
   60    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    72   320.000  1.410
   72    73   553.000  0.945
   65    66   553.000  0.945
   56    57   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    70.00000  109.69300
   33    50    46    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    58    80.00000  111.20000
   38    33    34    37.50000  110.70000
   38    40    44    60.00000  109.50000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    46    50.00000  109.50000
   40    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    46    52    70.00000  110.72300
   44    48    49    37.50000  110.70000
   44    48    54    58.35000  112.70000
   44    48    56    50.00000  109.50000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    58    80.00000  111.20000
   46    52    53    38.00000  118.40000
   46    52    60    50.00000  121.90000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    58    59    35.00000  118.40000
   50    58    67    50.00000  123.20000
   58    50    51    35.00000  109.50000
   58    67    74    70.00000  120.00000
   58    67    77    70.00000  120.00000
   67    58    59    35.00000  120.00000
   67    74    75    35.00000  120.00000
   67    74    76    35.00000  120.00000
   67    77    78    35.00000  120.00000
   67    77    79    35.00000  120.00000
   76    74    75    35.00000  120.00000
   77    67    74    70.00000  120.00000
   79    77    78    35.00000  120.00000
   52    46    47    35.00000  109.50000
   52    46    50    70.00000  110.72300
   52    60    61    80.00000  122.90000
   52    60    68    70.00000  116.60000
   60    52    53    35.00000  119.80000
   60    68    69    35.00000  109.50000
   60    68    70    35.00000  109.50000
   60    68    71    35.00000  109.50000
   68    60    61    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    54    55    37.50000  110.70000
   48    54    62    58.35000  112.70000
   48    54    65    50.00000  109.50000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    72    50.00000  109.50000
   54    65    66    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    72    73    55.00000  108.50000
   64    62    63    33.00000  107.80000
   72    62    63    35.00000  109.50000
   72    62    64    35.00000  109.50000
   65    54    55    35.00000  109.50000
   65    54    62    50.00000  109.50000
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   41    38    39    35.00000  109.50000
   41    38    40    85.00000  109.63000
   43    41    42    80.00000  126.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    58   0.56750  1.0 1.0
   29    33    50    58  -0.07550 -1.0 2.0
   29    33    50    58   0.20000  1.0 3.0
   33    38    40    44   0.06250  1.0 1.0
   33    38    40    44  -0.01100 -1.0 2.0
   33    38    40    44   0.28050  1.0 3.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   33    50    58    59  -0.09500  1.0 1.0
   33    50    58    59  -0.20850 -1.0 2.0
   33    50    58    59   0.20900  1.0 3.0
   33    50    58    67   0.25550 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    50    46   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    58  -0.29100  1.0 3.0
   38    33    50    46   0.56750  1.0 1.0
   38    33    50    46  -0.07550 -1.0 2.0
   38    33    50    46   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    58   0.86200  1.0 1.0
   38    33    50    58   0.12850 -1.0 2.0
   38    33    50    58   0.15950  1.0 3.0
   38    40    44    45   0.37050  1.0 3.0
   38    40   -44    46   0.06250  1.0 1.0
   38    40   -44    46  -0.01100 -1.0 2.0
   38    40   -44    46   0.28050  1.0 3.0
   38    40    44    48   0.06250  1.0 1.0
   38    40    44    48  -0.01100 -1.0 2.0
   38    40    44    48   0.28050  1.0 3.0
   39    38    40    44   0.37050  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    43   0.30150 -1.0 2.0
   40    44    46    47   0.23400  1.0 3.0
   40    44    46    50   0.62750  1.0 1.0
   40    44    46    50  -0.30950 -1.0 2.0
   40    44    46    50   0.27300  1.0 3.0
   40    44    46    52   1.12100  1.0 1.0
   40    44    46    52  -0.16500 -1.0 2.0
   40    44    48    49   0.23400  1.0 3.0
   40    44    48    54   0.62750  1.0 1.0
   40    44    48    54  -0.30950 -1.0 2.0
   40    44    48    54   0.27300  1.0 3.0
   40    44    48    56   3.69350  1.0 1.0
   40    44    48    56  -1.82950 -1.0 2.0
   44    46   -50    33   0.56750  1.0 1.0
   44    46   -50    33  -0.07550 -1.0 2.0
   44    46   -50    33   0.20000  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    58   0.86200  1.0 1.0
   44    46    50    58   0.12850 -1.0 2.0
   44    46    50    58   0.15950  1.0 3.0
   44    46    52    53   0.00000  1.0 1.0
   44    46    52    60  -0.43950  1.0 1.0
   44    46    52    60  -0.08100 -1.0 2.0
   44    46    52    60   0.03350  1.0 3.0
   44    48    54    55   0.15000  1.0 3.0
   44    48    54    62   0.56750  1.0 1.0
   44    48    54    62  -0.07550 -1.0 2.0
   44    48    54    62   0.20000  1.0 3.0
   44    48    54    65   0.86500  1.0 1.0
   44    48    54    65  -0.17500 -1.0 2.0
   44    48    54    65   0.20800  1.0 3.0
   44    48    56    57  -0.11600  1.0 1.0
   44    48    56    57  -0.09450 -1.0 2.0
   44    48    56    57   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    52   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   45    44    48    56   0.23400  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    54   0.56750  1.0 1.0
   46    44    48    54  -0.07550 -1.0 2.0
   46    44    48    54   0.20000  1.0 3.0
   46    44    48    56   0.86500  1.0 1.0
   46    44    48    56  -0.17500 -1.0 2.0
   46    44    48    56   0.20800  1.0 3.0
   46    50    58    59  -0.09500  1.0 1.0
   46    50    58    59  -0.20850 -1.0 2.0
   46    50    58    59   0.20900  1.0 3.0
   46    50    58    67   0.25550 -1.0 2.0
   46    52    60    61   3.04450 -1.0 2.0
   46    52    60    68   1.49850  1.0 1.0
   46    52    60    68   1.53950 -1.0 2.0
   47    46    50    33   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    58  -0.29100  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    60   0.00000  1.0 1.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.62750  1.0 1.0
   50    33   -38    40  -0.30950 -1.0 2.0
   50    33   -38    40   0.27300  1.0 3.0
   50    33    38    41  -1.63150  1.0 1.0
   50    33    38    41  -0.43550 -1.0 2.0
   50    33    38    41   0.24500  1.0 3.0
   50    46    52    53   0.00000  1.0 1.0
   50    46    52    60  -0.43950  1.0 1.0
   50    46    52    60  -0.08100 -1.0 2.0
   50    46    52    60   0.03350  1.0 3.0
   50    58    67    74   3.96800 -1.0 2.0
   50    58    67    77   3.96800 -1.0 2.0
   51    50    58    59   0.00000  1.0 1.0
   51    50    58    67   0.08850  1.0 3.0
   58    67    74    75   1.50000 -1.0 2.0
   58    67    74    76   1.50000 -1.0 2.0
   58    67    77    78   1.50000 -1.0 2.0
   58    67    77    79   1.50000 -1.0 2.0
   59    58    67    74   1.50000 -1.0 2.0
   59    58    67    77   1.50000 -1.0 2.0
   74    67    77    78   1.50000 -1.0 2.0
   74    67    77    79   1.50000 -1.0 2.0
   77    67    74    75   1.50000 -1.0 2.0
   77    67    74    76   1.50000 -1.0 2.0
   52    46    50    33  -0.27100  1.0 1.0
   52    46    50    33  -0.01700 -1.0 2.0
   52    46    50    33  -0.48600  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    58   2.20050  1.0 1.0
   52    46    50    58   0.63450 -1.0 2.0
   52    46    50    58  -0.91300  1.0 3.0
   52    60    68    69   0.00000  1.0 1.0
   52    60    68    70   0.00000  1.0 1.0
   52    60    68    71   0.00000  1.0 1.0
   53    52    60    61   2.45000 -1.0 2.0
   53    52    60    68   2.45000 -1.0 2.0
   61    60    68    69   0.00000  1.0 1.0
   61    60    68    70   0.00000  1.0 1.0
   61    60    68    71   0.00000  1.0 1.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    44    46    52   0.43900  1.0 1.0
   48    44    46    52   0.49100 -1.0 2.0
   48    44    46    52   0.28400  1.0 3.0
   48    54    62    63   0.15000  1.0 3.0
   48    54    62    64   0.15000  1.0 3.0
   48    54    62    72   0.86500  1.0 1.0
   48    54    62    72  -0.17500 -1.0 2.0
   48    54    62    72   0.20800  1.0 3.0
   48    54    65    66  -0.11600  1.0 1.0
   48    54    65    66  -0.09450 -1.0 2.0
   48    54    65    66   0.21250  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    62   0.15000  1.0 3.0
   49    48    54    65   0.23400  1.0 3.0
   49    48    56    57   0.19450  1.0 3.0
   54    48    56    57  -0.11600  1.0 1.0
   54    48    56    57  -0.09450 -1.0 2.0
   54    48    56    57   0.21250  1.0 3.0
   54    62    72    73  -0.11600  1.0 1.0
   54    62    72    73  -0.09450 -1.0 2.0
   54    62    72    73   0.21250  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    72   0.23400  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   62    54    65    66  -0.11600  1.0 1.0
   62    54    65    66  -0.09450 -1.0 2.0
   62    54    65    66   0.21250  1.0 3.0
   63    62    72    73   0.19450  1.0 3.0
   64    62    72    73   0.19450  1.0 3.0
   65    54    62    63   0.23400  1.0 3.0
   65    54    62    64   0.23400  1.0 3.0
   65    54    62    72   3.75450  1.0 1.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    62   0.86500  1.0 1.0
   56    48    54    62  -0.17500 -1.0 2.0
   56    48    54    62   0.20800  1.0 3.0
   56    48    54    65   3.75450  1.0 1.0
   41    38    40    44  -1.11000  1.0 1.0
   41    38    40    44   0.50250 -1.0 2.0
   41    38    40    44   0.47450  1.0 3.0
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
   59    67    58    50   1.00000 -1.0 2.0
   58    74    67    77  10.50000 -1.0 2.0
   76    67    74    75   1.00000 -1.0 2.0
   78    79    77    67   1.00000 -1.0 2.0
   53    60    52    46   1.00000 -1.0 2.0
   52    68    60    61  10.50000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
