* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    147    229     429
    1     0 S   NP   _N1_     1    29.16296    98.24175   -21.86946
    2     1 S   H    _HN1     2     1.02952    65.93922    30.73091
    3     1 S   H    _H1_     3     1.02828    52.43235   169.35844
    4     1 S   H    _H2_     4     1.02801    91.12895   -78.84929
    5     1 S   CT   _CA1     5     1.50079   155.73988   117.36449
    6     5 S   HC   _HA1     6     1.09577   105.22473   101.11242
    7     5 S   CO3  _C1_     7     1.53685   112.51537   -19.16539
    8     7 S   O2Z  _O11     8     1.26359   115.04891   -45.09923
    9     7 S   O2Z  _O12     9     1.26268   114.96101   134.11704
   10     5 S   CT   _CB1    10     1.53042   107.42775  -140.98484
   11    10 S   HC   HB11    11     1.09833   109.21703   -51.40295
   12    10 S   HC   HB12    12     1.09814   110.54366    65.15917
   13    10 S   CT   _CG1    13     1.52976   112.58977  -172.44810
   14    13 S   HC   HG11    14     1.09600   110.63328   -67.35059
   15    13 S   HC   HG12    15     1.09674   109.79756    51.90551
   16    13 S   C    _CD1    16     1.51752   112.15624   172.25488
   17    16 S   O    _OE1    17     1.22727   123.27840     7.19874
   18    16 S   N    _N2_    18     1.38612   111.64835  -172.70970
   19    18 S   H    _HN2    19     1.01578   118.97303     0.90049
   20    18 S   CT1  _CA2    20     1.46162   123.34438   176.53022
   21    20 S   HC   _HA2    21     1.09741   109.44183     2.09125
   22    20 S   C    _C2_    22     1.53572   108.37839  -113.29813
   23    22 S   O    _O2_    23     1.23053   122.34475  -146.86146
   24    20 S   CT   _CB2    32     1.53402   111.59913   124.28796
   25    24 S   HC   HB21    33     1.09351   109.60763    56.12686
   26    24 S   HC   HB22    34     1.09420   109.39454   174.99563
   27    22 S   N    _N3_    24     1.38345   113.64365    40.53662
   28    27 S   H    _HN3    25     1.01586   119.58471    -3.23337
   29    24 S   S    _SG2    35     1.82804   111.09883   -65.85618
   30    27 S   CT   _CA3    26     1.45283   123.22386   177.19746
   31    30 S   HC   HA31    27     1.09548   107.51429   -64.57688
   32    30 S   HC   HA32    28     1.09556   107.98448    51.86618
   33    29 S   CT   _C5_    36     1.89218   102.67351   169.09506
   34    30 S   CO3  _C3_    29     1.52961   114.06668   173.86406
   35    34 S   O2Z  _O31    30     1.26376   116.06864    -0.50668
   36    34 S   O2Z  _O32    31     1.26425   114.41693   179.54889
   37    33 S   CT   _C4_    37     1.55660   109.75471   -68.80208
   38    37 S   HC   _H7_    38     1.09455   110.87954    61.97906
   39    37 S   HC   _H8_    39     1.09496   110.36763   178.19181
   40    33 S   CT   _C17    75     1.54866   109.26816    50.68830
   41    40 S   HC   _H19    76     1.09433   112.16603   -60.89521
   42    40 S   HC   _H20    77     1.09512   110.86017  -178.88618
   43    37 S   S    _S1_    40     1.83413   115.87171   -60.16059
   44    40 S   OH   _O39    78     1.42199   111.45758    61.28008
   45    44 S   HO   _H21    79     0.97227   107.18125   175.91855
   46    43 S   C4T  _C7_    41     1.82363    96.23571   -56.74801
   47    46 S   HC   _H4_    42     1.09459   114.41344   -76.34124
   48    46 S   C4T  _C8_    43     1.55296   116.89143   146.57382
   49    48 S   HC   _H5_    44     1.09797   113.49978   142.61739
   50    46 S   N4   _N4_    47     1.45438   108.45854    50.85496
   51    48 S   C4   _C9_    45     1.54887    85.43244  -106.16842
   52    51 S   O    _O33    46     1.20896   136.41424   176.48409
   53    33 S   CT1  _C6_    48     1.56728   105.64995   170.15693
   54    53 S   HC   _H3_    49     1.09980   109.16735   -41.91522
   55    48 S   N    _N5_    53     1.47699   118.33894     9.92290
   56    55 S   H    _H9_    54     1.01705   119.78726   -93.12345
   57    53 S   CO3  _C16    50     1.55056   115.76457  -160.77209
   58    57 S   O2Z  _O38    51     1.26292   116.07328   -49.95512
   59    57 S   O2Z  _O37    52     1.26466   114.79232   130.98244
   60    55 S   C    _C10    55     1.38766   121.91122    87.43440
   61    60 S   O    _O34    56     1.22820   124.30563    -1.91387
   62    60 S   CT   _C11    57     1.51714   112.25664   178.00620
   63    62 S   HC   _H10    58     1.09630   108.25195    59.82731
   64    62 S   HC   _H11    59     1.09644   108.17444   -57.03340
   65    62 S   CT   _C12    60     1.52902   112.08966  -178.57385
   66    65 S   HC   _H12    61     1.09638   109.48057    55.62546
   67    65 S   HC   _H13    62     1.09605   108.87297   -60.73667
   68    65 S   CT   _C13    63     1.53245   111.30720   177.37445
   69    68 S   HC   _H14    64     1.09626   108.88334    58.70986
   70    68 S   HC   _H15    65     1.09736   108.96400   -56.65878
   71    68 S   CT   _C14    66     1.53225   114.52528  -179.30226
   72    71 S   HC   _H6_    67     1.09717   108.09641  -177.73921
   73    71 S   CO3  _C15    68     1.54152   115.13109    64.04034
   74    73 S   O2Z  _O36    69     1.26182   115.88651    35.36725
   75    73 S   O2Z  _O35    70     1.26512   114.60109  -145.65291
   76    71 S   NP   _N6_    71     1.50078   108.75587   -65.03014
   77    76 S   H    _H16    72     1.02788   112.20525   -53.44477
   78    76 S   H    _H17    73     1.02895   109.84145  -173.79853
   79    76 S   H    _H18    74     1.02788   111.40109    68.43822
  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  13   5   4   3
  17   2   1   1  14   5   4   9   4   3   8   2   1  12   6  10
   6   8   7   2   4   3   7   3   2   1   1   8   4   9   5   4
   9   5   4  11   5   4   8   7   6   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    53    54    57    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    46    51    50    53    54    57    58    59    40    41    42    44    45  
   35    36  
   36  
    0  
   38    39    43    46    47    48    50    53    54    57    40    41    42    44  
   39    43    46    53    40  
   43    46    53    40  
   41    42    44    45    43    50    53    54    57  
   42    44    45    53  
   44    45    53  
   46    47    48    49    51    50    53    55  
   45    53  
    0  
   47    48    49    51    52    50    53    54    57    55    56    60  
   48    49    51    50    53    55  
   49    51    52    50    53    55    56    60    61    62  
   51    52    50    55    56    60  
   53    54    57    58    59    55    51    52  
   52    53    54    57    55    56    60  
   53    55  
   54    57    58    59  
   57    58    59  
   56    60    61    62    63    64    65  
   60    61    62  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    68  
   62    63    64    65  
   63    64    65    66    67    68    69    70    71  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    71    72    73    76  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    75    76    77    78    79  
   70    71    72    73    76  
   71    72    73    76  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79  
   75    76  
   76  
   77    78    79  
   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   0.167500   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.219000   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   74   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   75   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   76   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   77   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.210000   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    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   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    46   200.000  1.824
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   305.000  1.456
   48    49   340.000  1.090
   48    51   250.000  1.540
   48    55   337.000  1.449
   51    52   930.000  1.212
   51    50   440.000  1.369
   50    53   337.000  1.449
   53    54   340.000  1.090
   53    57   317.000  1.522
   57    58   656.000  1.250
   57    59   656.000  1.250
   55    56   434.000  1.010
   55    60   490.000  1.335
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   317.000  1.522
   71    76   367.000  1.471
   73    74   656.000  1.250
   73    75   656.000  1.250
   76    77   434.000  1.010
   76    78   434.000  1.010
   76    79   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
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  111.63000
   29    33    53    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    53    50    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    57    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    46    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    46    47    45.00000  109.41400
   43    46    48    65.00000  119.05700
   43    46    50    80.00000  108.62000
   46    48    49    37.50000  110.70000
   46    48    51   100.00000   86.36000
   46    48    55    80.00000  110.05700
   46    50    51   100.00000   93.00000
   46    50    53    50.00000  132.70000
   48    46    47    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    50    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    60    50.00000  121.90000
   51    48    49    40.00000  113.37500
   51    50    53    50.00000  132.10000
   50    46    47    50.00000  112.01000
   50    46    48   105.00000   87.49700
   50    51    52    75.00000  131.60000
   50    53    54    35.00000  109.50000
   50    53    57    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    57    58    70.00000  117.00000
   53    57    59    70.00000  117.00000
   57    53    54    35.00000  109.50000
   59    57    58    80.00000  126.00000
   55    48    49    50.00000  112.01000
   55    48    51    75.00000  110.24000
   55    60    61    80.00000  122.90000
   55    60    62    70.00000  116.60000
   60    55    56    35.00000  119.80000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    63.00000  111.10000
   62    60    61    80.00000  120.40000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    70.00000  109.69300
   68    71    76    80.00000  111.20000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    74    70.00000  117.00000
   71    73    75    70.00000  117.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   73    71    72    35.00000  109.50000
   75    73    74    80.00000  126.00000
   76    71    72    35.00000  109.50000
   76    71    73    80.00000  109.26000
   78    76    77    35.00000  109.50000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    44    45    55.00000  108.50000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    53    50   0.71400  1.0 1.0
   29    33    53    50   0.04300 -1.0 2.0
   29    33    53    50   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57  -2.17200  1.0 1.0
   29    33    53    57  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    46  -0.25000 -1.0 2.0
   33    37    43    46  -0.01800  1.0 3.0
   33    53    57    58   0.00000  1.0 1.0
   33    53    57    59   0.00000  1.0 1.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   37    33    53    50   0.42250  1.0 1.0
   37    33    53    50  -0.48100 -1.0 2.0
   37    33    53    50   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57  -0.84850  1.0 1.0
   37    33    53    57  -0.22800 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.86500  1.0 1.0
   37    33    40    44  -0.17500 -1.0 2.0
   37    33    40    44   0.20800  1.0 3.0
   37    43    46    47   0.00000  1.0 1.0
   37    43    46    48   0.25150  1.0 1.0
   37    43    46    48  -1.17200 -1.0 2.0
   37    43    46    48   0.53050  1.0 3.0
   37    43   -46    50   0.01700  1.0 1.0
   37    43   -46    50  -0.23550 -1.0 2.0
   37    43   -46    50   0.21350  1.0 3.0
   38    37    43    46   0.32350  1.0 3.0
   39    37    43    46   0.32350  1.0 3.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    51   0.00000  1.0 1.0
   43    46    48    55   0.00000  1.0 1.0
   43    46   -50    51   0.00000  1.0 1.0
   43    46    50    53   0.00000  1.0 1.0
   46    48    51    52  -0.11250  1.0 1.0
   46    48    51    52   0.11400 -1.0 2.0
   46    48    51    52  -0.28950  1.0 3.0
   46    48   -51    50   3.00000 -1.0 2.0
   46    48    55    56   0.00000  1.0 1.0
   46    48    55    60  -0.43950  1.0 1.0
   46    48    55    60  -0.08100 -1.0 2.0
   46    48    55    60   0.03350  1.0 3.0
   46    50   -53    33   0.00000  1.0 1.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    57   0.00000  1.0 1.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46   -50    51   0.00000  1.0 1.0
   47    46    50    53   0.00000  1.0 1.0
   48    46   -50    51   0.00000  1.0 1.0
   48    46    50    53   0.00000  1.0 1.0
   48    51   -50    46   3.00000 -1.0 2.0
   48    51   -50    53   3.00000 -1.0 2.0
   48    55    60    61   3.04450 -1.0 2.0
   48    55    60    62   1.49850  1.0 1.0
   48    55    60    62   1.53950 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    50   0.00000  1.0 1.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    60   0.00000  1.0 1.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    60  -0.42300  1.0 1.0
   51    48    55    60  -0.07000 -1.0 2.0
   51    48    55    60   0.04150  1.0 3.0
   51    50    53    33   0.00000  1.0 1.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    57   0.00000  1.0 1.0
   52    51   -50    46   3.00000 -1.0 2.0
   52    51    50    53   3.00000 -1.0 2.0
   50    46   -48    49   0.15000  1.0 3.0
   50    46   -48    51   3.00000 -1.0 2.0
   50    46    48    55   2.20050  1.0 1.0
   50    46    48    55   0.63450 -1.0 2.0
   50    46    48    55  -0.91300  1.0 3.0
   50    53    57    58   0.00000  1.0 1.0
   50    53    57    59   0.00000  1.0 1.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    43   0.44750  1.0 1.0
   53    33   -37    43  -0.17800 -1.0 2.0
   53    33   -37    43   0.20200  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    44   0.86500  1.0 1.0
   53    33    40    44  -0.17500 -1.0 2.0
   53    33    40    44   0.20800  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    50   0.00000  1.0 1.0
   55    60    62    63   0.00000  1.0 1.0
   55    60    62    64   0.00000  1.0 1.0
   55    60    62    65   1.39750  1.0 1.0
   55    60    62    65  -0.07950 -1.0 2.0
   55    60    62    65  -0.18750  1.0 3.0
   56    55    60    61   2.45000 -1.0 2.0
   56    55    60    62   2.45000 -1.0 2.0
   60    62    65    66  -0.11250  1.0 3.0
   60    62    65    67  -0.11250  1.0 3.0
   60    62    65    68  -0.95700  1.0 1.0
   60    62    65    68  -0.18200 -1.0 2.0
   60    62    65    68   0.29450  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    65   0.30150 -1.0 2.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    70   0.15000  1.0 3.0
   62    65    68    71   0.56750  1.0 1.0
   62    65    68    71  -0.07550 -1.0 2.0
   62    65    68    71   0.20000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    71    72   0.15000  1.0 3.0
   65    68    71    73  -1.63150  1.0 1.0
   65    68    71    73  -0.43550 -1.0 2.0
   65    68    71    73   0.24500  1.0 3.0
   65    68    71    76   1.36600  1.0 1.0
   65    68    71    76  -0.11450 -1.0 2.0
   65    68    71    76   0.24250  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    74   0.41150 -1.0 2.0
   68    71    73    75   0.41150 -1.0 2.0
   68    71    76    77   0.17350  1.0 3.0
   68    71    76    78   0.17350  1.0 3.0
   68    71    76    79   0.17350  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73  -0.11250  1.0 3.0
   69    68    71    76   0.19200  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73  -0.11250  1.0 3.0
   70    68    71    76   0.19200  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    76    77   0.13050  1.0 3.0
   72    71    76    78   0.13050  1.0 3.0
   72    71    76    79   0.13050  1.0 3.0
   73    71    76    77   0.17350  1.0 3.0
   73    71    76    78   0.17350  1.0 3.0
   73    71    76    79   0.17350  1.0 3.0
   76    71    73    74   0.30150 -1.0 2.0
   76    71    73    75   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    53    50   0.42250  1.0 1.0
   40    33    53    50  -0.48100 -1.0 2.0
   40    33    53    50   0.35650  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    57  -0.84850  1.0 1.0
   40    33    53    57  -0.22800 -1.0 2.0
   40    33    53    57   0.29250  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   42    40    44    45   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   48    50    51    52  10.50000 -1.0 2.0
   53    51    50    46   1.00000 -1.0 2.0
   58    53    57    59  10.50000 -1.0 2.0
   56    60    55    48   1.00000 -1.0 2.0
   55    62    60    61  10.50000 -1.0 2.0
   74    71    73    75  10.50000 -1.0 2.0
END
