* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    219     427
    1     0 S   NP   _N1_     1    28.92877    95.25323   -19.34294
    2     1 S   H    _HN1     2     1.02840    39.05362   143.76064
    3     1 S   H    _H1_     3     1.02782    77.04050   -74.68765
    4     1 S   H    _H2_     4     1.02963    95.17081    32.92564
    5     1 S   CT   _CA1     5     1.50103   146.90965   174.33452
    6     5 S   HC   _HA1     6     1.09567   105.29485    39.23456
    7     5 S   CO3  _C1_     7     1.53848   112.26573   -81.11343
    8     7 S   O2Z  _O11     8     1.26371   115.04697   -45.89535
    9     7 S   O2Z  _O12     9     1.26240   114.92507   133.40767
   10     5 S   CT   _CB1    10     1.53102   107.43344   157.22488
   11    10 S   HC   HB11    11     1.09819   109.56039   -49.80783
   12    10 S   HC   HB12    12     1.09832   110.28431    66.77160
   13    10 S   CT   _CG1    13     1.53031   112.66091  -170.91905
   14    13 S   HC   HG11    14     1.09535   110.24214   -58.56073
   15    13 S   HC   HG12    15     1.09612   110.21170    60.61386
   16    13 S   C    _CD1    16     1.51812   112.08774  -178.98067
   17    16 S   O    _OE1    17     1.22742   123.13636   -11.20983
   18    16 S   N    _N2_    18     1.38618   111.79082   168.93836
   19    18 S   H    _HN2    19     1.01582   119.07123     2.76944
   20    18 S   CT1  _CA2    20     1.46288   123.37166  -175.60662
   21    20 S   HC   _HA2    21     1.09733   109.25891   -16.50346
   22    20 S   C    _C2_    22     1.53366   108.48181  -132.33305
   23    22 S   O    _O2_    23     1.23005   122.25033  -146.77384
   24    20 S   CT   _CB2    32     1.53664   111.33833   105.42093
   25    24 S   HC   HB21    33     1.09436   109.40805    56.51784
   26    24 S   HC   HB22    34     1.09484   110.33746   175.27777
   27    22 S   N    _N3_    24     1.38512   113.33968    40.67890
   28    27 S   H    _HN3    25     1.01532   118.90600    -0.54249
   29    24 S   S    _SG2    35     1.82911   111.38795   -64.97665
   30    27 S   CT   _CA3    26     1.45453   123.44237   175.08104
   31    30 S   HC   HA31    27     1.09524   109.22407    24.42637
   32    30 S   HC   HA32    28     1.09495   107.11556   141.43554
   33    29 S   CT   _C17    36     1.85727   100.85728   168.77939
   34    30 S   CO3  _C3_    29     1.52933   113.16312   -99.04135
   35    34 S   O2Z  _O31    30     1.26400   115.43593   -43.39000
   36    34 S   O2Z  _O32    31     1.26360   114.96369   137.56451
   37    33 S   CO4  _C7_    37     1.53229   107.35847   -67.33973
   38    37 S   O    _O20    38     1.23196   121.42976   108.86201
   39    33 S   OS   _O22    76     1.43440   111.83144    48.50170
   40    37 S   CM   _C5_    39     1.50931   118.66068   -71.68821
   41    39 S   CT   _C21    77     1.42017   116.69995    73.95177
   42    41 S   HC   _H44    78     1.09374   107.86839  -170.82275
   43    41 S   HC   _H45    79     1.09284   110.88261    71.51755
   44    41 S   HC   _H46    80     1.09301   111.86284   -52.03251
   45    40 S   CM   _C4_    40     1.35107   119.31881   -23.11623
   46    45 S   CO4  _C6_    41     1.50380   120.05948     5.76075
   47    46 S   O    _O19    42     1.23100   121.02676   163.48020
   48    45 S   CT   _C14    50     1.52566   123.59643  -176.86107
   49    48 S   HC   _H33    51     1.10084   105.26728  -110.58058
   50    33 S   CT   _C15    43     1.53513   110.96792   175.83284
   51    50 S   HC   _H34    44     1.09764   110.06386   -58.53611
   52    48 S   CT   _C12    52     1.53928   113.97344     5.49530
   53    52 S   HC   _H29    53     1.09809   109.18511  -156.22752
   54    52 S   HC   _H30    54     1.09540   112.05416    87.21165
   55    48 S   CM   _C11    68     1.53042   113.57478   130.48158
   56    50 S   OS   _O21    45     1.43068   109.39858  -179.22167
   57    52 S   CT   _C13    55     1.52031   111.54302   -35.56317
   58    57 S   HC   _H31    56     1.09831   109.06694  -178.31972
   59    57 S   HC   _H32    57     1.09861   108.09947   -63.32718
   60    55 S   CM   _C9_    69     1.34405   120.77521   126.00145
   61    60 S   HC   _H26    70     1.08493   121.53914  -179.90513
   62    60 S   HC   _H27    71     1.08518   121.38647    -0.02798
   63    55 S   CT   _C18    72     1.50660   118.75201   -53.95707
   64    63 S   HC   _H35    73     1.09354   111.08201   -61.73995
   65    63 S   HC   _H36    74     1.09358   111.07362    59.00327
   66    63 S   HC   _H37    75     1.09563   111.81251   178.58155
   67    56 S   CT   _C20    46     1.42216   113.23364   159.11741
   68    67 S   HC   _H41    47     1.09331   108.16293  -179.40488
   69    67 S   HC   _H42    48     1.09347   111.05429    61.77347
   70    67 S   HC   _H43    49     1.09410   110.49904   -60.81182
   71    40 S   CT   _C16    58     1.53923   117.62862   156.65916
   72    71 S   CM   _C10    59     1.52777   109.32851    78.50405
   73    72 S   HC   _H28    60     1.08972   116.11390    51.71726
   74    71 S   CT   _C19    64     1.55231   110.89668   -47.08056
   75    74 S   HC   _H38    65     1.09718   111.19388  -169.78027
   76    74 S   HC   _H39    66     1.09413   113.33816    69.98555
   77    74 S   HC   _H40    67     1.09536   110.89766   -50.66476
   78    72 S   CM   _C8_    61     1.33948   127.67538  -128.19657
   79    78 S   HC   _H24    62     1.08525   120.07330   179.87646
   80    78 S   HC   _H25    63     1.08316   122.71962    -0.16313
  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   2   1   1  14   5   9  19   4   2   1   1  17  10   4  17
   7   6   2  11   6   5   8   4  10   4   3   6   2   1   3   2
   1   1   3   2   1   1   9   8   4   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    46    50    51    56    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    46    47    50    51    56    67    71    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    50    51    56    48    57    71    72    74    39    41  
   40    45    50    71    39  
   41    42    43    44    40    46    50    51    56  
   45    46    47    50    48    49    52    57    58    59    71    72    73    78    74    75    76    77    55  
   42    43    44    50  
   43    44  
   44  
    0  
   46    47    50    51    56    48    49    52    53    54    57    71    72    74    55    60    63  
   47    50    51    56    67    48    49    52    71    55  
   50    51    56    48  
   49    52    53    54    57    58    59    71    55    60    61    62    63    64    65    66    50  
   52    53    54    57    55    60    63  
   51    56    67    68    69    70  
   56    67  
   53    54    57    58    59    71    72    74    55    60    63  
   54    57    58    59    71    55  
   57    58    59    71    55  
   60    61    62    63    64    65    66    57  
   67    68    69    70  
   58    59    71    72    73    78    74    75    76    77  
   59    71    72    74  
   71    72    74  
   61    62    63    64    65    66  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80  
   80  
    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  -0.316400   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   0.396900   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   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.060000   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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    50   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    71   317.000  1.510
   45    46   320.000  1.462
   45    48   317.000  1.510
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    56   320.000  1.410
   56    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    71   268.000  1.529
   71    72   317.000  1.510
   71    74   268.000  1.529
   72    73   340.000  1.080
   72    78   549.000  1.340
   78    79   340.000  1.080
   78    80   340.000  1.080
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   55    60   549.000  1.340
   55    63   317.000  1.510
   60    61   340.000  1.080
   60    62   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
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    50    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    56    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    71    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    46    65.00000  118.96000
   40    45    48    70.00000  124.00000
   40    71    57    70.00000  112.02700
   40    71    72    70.00000  110.12100
   40    71    74    70.00000  112.02700
   45    46    47    80.00000  123.72100
   45    46    50    65.00000  118.62400
   45    48    49    35.00000  109.50000
   45    48    52    70.00000  112.02700
   45    48    55    70.00000  110.12100
   46    50    51    35.00000  109.50000
   46    50    56    90.00000  108.74100
   50    33    37    63.00000  111.10000
   50    46    47    80.00000  120.40000
   50    56    67    60.00000  109.50000
   56    50    51    35.00000  109.50000
   56    67    68    35.00000  109.50000
   56    67    69    35.00000  109.50000
   56    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   48    45    46    65.00000  116.34900
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    57    58.35000  112.70000
   48    55    60    70.00000  124.00000
   48    55    63    65.00000  117.92700
   52    48    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    71    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    71    72    70.00000  112.02700
   57    71    74    58.35000  112.70000
   59    57    58    33.00000  107.80000
   71    40    45    70.00000  124.00000
   71    57    58    37.50000  110.70000
   71    57    59    37.50000  110.70000
   71    72    73    35.00000  117.00000
   71    72    78    70.00000  124.00000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   72    78    79    35.00000  120.00000
   72    78    80    35.00000  120.00000
   78    72    73    35.00000  120.00000
   80    78    79    35.00000  117.00000
   74    71    72    70.00000  112.02700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    52    70.00000  112.02700
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   62    60    61    35.00000  117.00000
   63    55    60    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    50    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
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    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
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    56   0.56750  1.0 1.0
   29    33    50    56  -0.07550 -1.0 2.0
   29    33    50    56   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    71   0.25700  1.0 1.0
   33    37    40    71   0.66200 -1.0 2.0
   33    37    40    71   0.04450  1.0 3.0
   33    50    56    67   0.06250  1.0 1.0
   33    50    56    67  -0.01100 -1.0 2.0
   33    50    56    67   0.28050  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    50    46   0.11950  1.0 1.0
   37    33    50    46   0.20300 -1.0 2.0
   37    33    50    46  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    56  -0.09450  1.0 1.0
   37    33    50    56  -1.12950 -1.0 2.0
   37    33    50    56   0.54000  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40   -45    46   7.00000 -1.0 2.0
   37    40    45    48   7.00000 -1.0 2.0
   37    40    71    57   0.09700  1.0 1.0
   37    40    71    57   0.15600 -1.0 2.0
   37    40    71    57  -0.50800  1.0 3.0
   37    40    71    72   0.09700  1.0 1.0
   37    40    71    72   0.15600 -1.0 2.0
   37    40    71    72  -0.50800  1.0 3.0
   37    40    71    74   0.09700  1.0 1.0
   37    40    71    74   0.15600 -1.0 2.0
   37    40    71    74  -0.50800  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    71  -0.64400  1.0 1.0
   38    37    40    71   0.26850 -1.0 2.0
   40    45    46    47   1.00000 -1.0 2.0
   40    45    46    50  -0.33500  1.0 1.0
   40    45    46    50   1.06600 -1.0 2.0
   40    45    46    50  -0.14000  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    52   0.09850  1.0 1.0
   40    45    48    52   0.15250 -1.0 2.0
   40    45    48    52  -0.50650  1.0 3.0
   40    45    48    55  -0.28300  1.0 1.0
   40    45    48    55   0.26700 -1.0 2.0
   40    45    48    55  -0.63300  1.0 3.0
   40    71    72    73   0.00000  1.0 1.0
   40    71    72    78  -0.28300  1.0 1.0
   40    71    72    78   0.26700 -1.0 2.0
   40    71    72    78  -0.63300  1.0 3.0
   40    71    74    75   0.15000  1.0 3.0
   40    71    74    76   0.15000  1.0 3.0
   40    71    74    77   0.15000  1.0 3.0
   45    40    71    57   0.09850  1.0 1.0
   45    40    71    57   0.15250 -1.0 2.0
   45    40    71    57  -0.50650  1.0 3.0
   45    40    71    72  -0.28300  1.0 1.0
   45    40    71    72   0.26700 -1.0 2.0
   45    40    71    72  -0.63300  1.0 3.0
   45    40    71    74   0.09850  1.0 1.0
   45    40    71    74   0.15250 -1.0 2.0
   45    40    71    74  -0.50650  1.0 3.0
   45    46   -50    33   0.65300  1.0 1.0
   45    46   -50    33  -0.03850 -1.0 2.0
   45    46   -50    33   0.33900  1.0 3.0
   45    46    50    51   0.00000  1.0 1.0
   45    46    50    56   0.65300  1.0 1.0
   45    46    50    56  -0.03850 -1.0 2.0
   45    46    50    56   0.33900  1.0 3.0
   45    48    52    53   0.15000  1.0 3.0
   45    48    52    54   0.15000  1.0 3.0
   45    48   -52    57   0.34400  1.0 1.0
   45    48   -52    57   0.09450 -1.0 2.0
   45    48   -52    57   0.11100  1.0 3.0
   45    48    55    60  -0.28300  1.0 1.0
   45    48    55    60   0.26700 -1.0 2.0
   45    48    55    60  -0.63300  1.0 3.0
   45    48    55    63   0.09700  1.0 1.0
   45    48    55    63   0.15600 -1.0 2.0
   45    48    55    63  -0.50800  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.09700  1.0 1.0
   46    45    48    52   0.15600 -1.0 2.0
   46    45    48    52  -0.50800  1.0 3.0
   46    45    48    55   0.09700  1.0 1.0
   46    45    48    55   0.15600 -1.0 2.0
   46    45    48    55  -0.50800  1.0 3.0
   46    50    56    67  -1.11000  1.0 1.0
   46    50    56    67   0.50250 -1.0 2.0
   46    50    56    67   0.47450  1.0 3.0
   47    46    50    33   0.30150 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    56   0.30150 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    40   0.65300  1.0 1.0
   50    33   -37    40  -0.03850 -1.0 2.0
   50    33   -37    40   0.33900  1.0 3.0
   50    33    39    41   0.06250  1.0 1.0
   50    33    39    41  -0.01100 -1.0 2.0
   50    33    39    41   0.28050  1.0 3.0
   50    56    67    68   0.37050  1.0 3.0
   50    56    67    69   0.37050  1.0 3.0
   50    56    67    70   0.37050  1.0 3.0
   51    50    56    67   0.37050  1.0 3.0
   48    45    46    47  -0.64400  1.0 1.0
   48    45    46    47   0.26850 -1.0 2.0
   48    45    46    50   0.25700  1.0 1.0
   48    45    46    50   0.66200 -1.0 2.0
   48    45    46    50   0.04450  1.0 3.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    59   0.15000  1.0 3.0
   48    52    57    71   0.56750  1.0 1.0
   48    52    57    71  -0.07550 -1.0 2.0
   48    52    57    71   0.20000  1.0 3.0
   48    55    60    61   7.00000 -1.0 2.0
   48    55    60    62   7.00000 -1.0 2.0
   48    55    63    64   0.34800  1.0 3.0
   48    55    63    65   0.34800  1.0 3.0
   48    55    63    66   0.34800  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   49    48    55    60   0.00000  1.0 1.0
   49    48    55    63   0.34800  1.0 3.0
   52    48    55    60   0.09850  1.0 1.0
   52    48    55    60   0.15250 -1.0 2.0
   52    48    55    60  -0.50650  1.0 3.0
   52    48    55    63   0.46850  1.0 1.0
   52    48    55    63   0.08550 -1.0 2.0
   52    48    55    63   0.09800  1.0 3.0
   52    57   -71    40   0.34400  1.0 1.0
   52    57   -71    40   0.09450 -1.0 2.0
   52    57   -71    40   0.11100  1.0 3.0
   52    57    71    72   0.34400  1.0 1.0
   52    57    71    72   0.09450 -1.0 2.0
   52    57    71    72   0.11100  1.0 3.0
   52    57    71    74   0.56750  1.0 1.0
   52    57    71    74  -0.07550 -1.0 2.0
   52    57    71    74   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    71   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    71   0.15000  1.0 3.0
   57    71    72    73   0.00000  1.0 1.0
   57    71    72    78   0.09850  1.0 1.0
   57    71    72    78   0.15250 -1.0 2.0
   57    71    72    78  -0.50650  1.0 3.0
   57    71    74    75   0.15000  1.0 3.0
   57    71    74    76   0.15000  1.0 3.0
   57    71    74    77   0.15000  1.0 3.0
   58    57    71    40   0.15000  1.0 3.0
   58    57    71    72   0.15000  1.0 3.0
   58    57    71    74   0.15000  1.0 3.0
   59    57    71    40   0.15000  1.0 3.0
   59    57    71    72   0.15000  1.0 3.0
   59    57    71    74   0.15000  1.0 3.0
   71    40    45    46   7.00000 -1.0 2.0
   71    40   -45    48   7.00000 -1.0 2.0
   71    72    78    79   7.00000 -1.0 2.0
   71    72    78    80   7.00000 -1.0 2.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    72    78    79   7.00000 -1.0 2.0
   73    72    78    80   7.00000 -1.0 2.0
   74    71    72    73   0.00000  1.0 1.0
   74    71    72    78   0.09850  1.0 1.0
   74    71    72    78   0.15250 -1.0 2.0
   74    71    72    78  -0.50650  1.0 3.0
   55    48    52    53   0.15000  1.0 3.0
   55    48    52    54   0.15000  1.0 3.0
   55    48    52    57   0.34400  1.0 1.0
   55    48    52    57   0.09450 -1.0 2.0
   55    48    52    57   0.11100  1.0 3.0
   60    55    63    64   0.00000  1.0 1.0
   60    55    63    65   0.00000  1.0 1.0
   60    55    63    66   0.00000  1.0 1.0
   63    55    60    61   7.00000 -1.0 2.0
   63    55    60    62   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    50    46  -0.09450  1.0 1.0
   39    33    50    46  -1.12950 -1.0 2.0
   39    33    50    46   0.54000  1.0 3.0
   39    33    50    51   0.23400  1.0 3.0
   39    33    50    56   1.11900  1.0 1.0
   39    33    50    56  -1.16350 -1.0 2.0
   39    33    50    56  -0.34150  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    71    40    45   1.10000 -1.0 2.0
   46    48    45    40   1.10000 -1.0 2.0
   45    50    46    47  10.50000 -1.0 2.0
   71    73    72    78  15.00000 -1.0 2.0
   79    80    78    72  15.00000 -1.0 2.0
   48    63    55    60  15.00000 -1.0 2.0
   61    62    60    55  15.00000 -1.0 2.0
END
