* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    149    230     441
    1     0 S   NP   _N1_     1    29.02833    97.63690   -20.23644
    2     1 S   H    _HN1     2     1.02949    75.38398    36.91500
    3     1 S   H    _H1_     3     1.02842    49.14592   165.50441
    4     1 S   H    _H2_     4     1.02785    83.49412   -74.03180
    5     1 S   CT   _CA1     5     1.50228   158.90339   145.97530
    6     5 S   HC   _HA1     6     1.09564   105.09299    75.03999
    7     5 S   CO3  _C1_     7     1.53922   112.53448   -44.86943
    8     7 S   O2Z  _O11     8     1.26396   115.09015   -33.86699
    9     7 S   O2Z  _O12     9     1.26237   115.21176   145.40936
   10     5 S   CT   _CB1    10     1.53212   107.35866  -166.90456
   11    10 S   HC   HB11    11     1.09812   109.50252   -45.71986
   12    10 S   HC   HB12    12     1.09811   110.34287    70.94343
   13    10 S   CT   _CG1    13     1.52974   112.70783  -166.69872
   14    13 S   HC   HG11    14     1.09425   110.55772   -61.54435
   15    13 S   HC   HG12    15     1.09662   109.96290    57.26006
   16    13 S   C    _CD1    16     1.51921   112.53234   177.08617
   17    16 S   O    _OE1    17     1.22693   123.21537   -13.86727
   18    16 S   N    _N2_    18     1.38518   111.51235   167.77853
   19    18 S   H    _HN2    19     1.01579   118.85281    -1.45293
   20    18 S   CT1  _CA2    20     1.46282   123.95896   177.09202
   21    20 S   HC   _HA2    21     1.09734   109.42917   -13.46265
   22    20 S   C    _C2_    22     1.53610   107.75172  -128.59872
   23    22 S   O    _O2_    23     1.23000   122.45420  -145.69943
   24    20 S   CT   _CB2    32     1.53343   111.20570   109.32726
   25    24 S   HC   HB21    33     1.09461   109.60309    46.92019
   26    24 S   HC   HB22    34     1.09469   110.75335   165.38603
   27    22 S   N    _N3_    24     1.38583   113.28442    41.76950
   28    27 S   H    _HN3    25     1.01524   118.85531    -0.76105
   29    24 S   S    _SG2    35     1.83021   111.58186   -76.46347
   30    27 S   CT   _CA3    26     1.45454   123.59147   175.13796
   31    30 S   HC   HA31    27     1.09514   109.39339    21.15000
   32    30 S   HC   HA32    28     1.09502   107.07546   138.18211
   33    29 S   CT   _C13    36     1.86162   101.21524   141.94521
   34    33 S   OM   _O36    37     1.32065   109.62027   162.85252
   35    30 S   CO3  _C3_    29     1.52921   113.03481  -102.43869
   36    35 S   O2Z  _O31    30     1.26413   115.38739   -44.52525
   37    35 S   O2Z  _O32    31     1.26353   114.99450   136.40079
   38    33 S   CT   _C14    38     1.58948   107.83756   -79.85385
   39    38 S   HC   _H11    39     1.10089   106.79928    58.06054
   40    33 S   OS   _O35    61     1.45061   113.09905    36.13352
   41    38 S   CT   _C15    40     1.55224   112.95360   172.52433
   42    41 S   HC   _H12    41     1.09699   110.24464    62.94531
   43    41 S   HC   _H13    42     1.09600   110.40739   -54.95744
   44    40 S   CA   _C6_    62     1.36695   125.06003    63.26661
   45    41 S   CT   _C16    43     1.53006   112.30139  -175.65882
   46    45 S   HC   _H14    44     1.09750   109.19562    66.10642
   47    45 S   HC   _H15    45     1.09572   108.23848  -177.94529
   48    44 S   CA   _C5_    63     1.39976   114.09857  -175.96357
   49    48 S   HA   _H4_    64     1.08756   119.96076    -0.24787
   50    45 S   CT   _C17    46     1.53506   112.11825   -55.89163
   51    50 S   HC   _H16    47     1.09875   108.28280   -63.48094
   52    48 S   CA   _C4_    65     1.39659   120.92506   179.70525
   53    52 S   HA   _H3_    66     1.08695   119.29448   179.79537
   54    50 S   CT   _C18    48     1.53292   110.01370    54.54615
   55    54 S   HC   _H17    49     1.09644   109.84102  -176.20873
   56    54 S   HC   _H18    50     1.09556   109.49878    66.63010
   57    50 S   CT   _C20    54     1.53302   112.65887   176.41581
   58    57 S   HC   _H21    55     1.09450   112.33336   -56.34141
   59    57 S   HC   _H22    56     1.09426   111.26043  -179.17338
   60    52 S   CA   _C9_    67     1.39780   120.29598    -0.13988
   61    38 S   CT   _C19    51     1.54968   115.47496   -60.78847
   62    61 S   HC   _H19    52     1.09459   111.08091    56.53232
   63    61 S   HC   _H20    53     1.09692   110.40479   -61.86349
   64    57 S   NP   _N4_    57     1.48267   110.79417    63.04647
   65    64 S   H    _H23    58     1.02839   111.61136    54.79274
   66    64 S   H    _H24    59     1.02791   111.99688   -66.28492
   67    64 S   H    _H25    60     1.02849   110.70183   174.31938
   68    60 S   CA   _C8_    68     1.39942   118.77490     0.62370
   69    68 S   HA   _H6_    69     1.08749   120.18653   179.23792
   70    60 S   CT   _C10    72     1.50729   120.62458   179.24230
   71    70 S   HC   _H7_    73     1.09771   109.29338    33.01451
   72    70 S   HC   _H8_    74     1.09771   109.28636   148.17173
   73    44 S   CA   _C7_    70     1.39379   127.08321     4.10284
   74    73 S   HA   _H5_    71     1.08416   122.17453     0.53705
   75    70 S   CT   _C11    75     1.52547   111.78993   -89.40476
   76    75 S   HC   _H9_    76     1.09769   109.81014    58.64384
   77    75 S   HC   _H10    77     1.09769   109.81341   -58.61082
   78    75 S   CO3  _C12    78     1.53129   114.83309  -179.97202
   79    78 S   O2Z  _O34    79     1.26520   114.05127  -179.98022
   80    78 S   O2Z  _O33    80     1.26134   116.68120     0.02798
  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   8   5   4   3
  15   6   2   1   1  16   9   9  12   6   5   9  12   5   4   8
   4  14   8   9   3   9   5   4   7   5   4  11   2   1   1   3
   2   1   1   7   3   9   5   4   1   1   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    45    54    61    62    63    40    44    48    73  
   38    39    41    61    40    44  
   36    37  
   37  
    0  
   39    41    42    43    45    46    47    50    54    55    56    61    62    63    40    44  
   41    42    43    45    54    61    62    63    40  
   44    48    49    52    68    73    74    41    61  
   42    43    45    46    47    50    51    54    61    62    63    57  
   43    45    46    47    50    61  
   45    46    47    50    61  
   48    49    52    53    60    68    69    73    74  
   46    47    50    51    54    55    56    61    57    58    59    64  
   47    50    51    54    57  
   50    51    54    57  
   49    52    53    60    68    73    74    70  
   52    53    60    73  
   51    54    55    56    61    62    63    57    58    59    64    65    66    67  
   54    55    56    61    57    58    59    64  
   53    60    68    69    73    70    71    72    75  
   60    68    70  
   55    56    61    62    63    57    58    59    64  
   56    61    62    63    57  
   61    62    63    57  
   58    59    64    65    66    67    61  
   59    64    65    66    67  
   64    65    66    67  
   68    69    73    74    70    71    72    75    76    77    78  
   62    63  
   63  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    73    74    70    71    72    75  
   73    74    70  
   71    72    75    76    77    78    79    80    73  
   72    75    76    77    78  
   75    76    77    78  
   74  
    0  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80  
   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   65   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    61   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   367.000  1.471
   64    65   434.000  1.010
   64    66   434.000  1.010
   64    67   434.000  1.010
   40    44   450.000  1.364
   44    48   469.000  1.400
   44    73   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    68   469.000  1.400
   60    70   317.000  1.510
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    74   367.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   656.000  1.250
   78    80   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    61    58.35000  112.70000
   33    40    44    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    61    54    58.35000  112.70000
   38    61    62    37.50000  110.70000
   38    61    63    37.50000  110.70000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    57    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    61    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    64    80.00000  111.20000
   54    50    51    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   56    54    55    33.00000  107.80000
   61    38    39    37.50000  110.70000
   61    38    41    58.35000  112.70000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   59    57    58    33.00000  107.80000
   64    57    58    35.00000  109.50000
   64    57    59    35.00000  109.50000
   66    64    65    35.00000  109.50000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    44    48    70.00000  120.00000
   40    44    73    70.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   44    73    68    63.00000  120.00000
   44    73    74    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    60    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    60    68    63.00000  120.00000
   52    60    70    70.00000  120.00000
   60    52    53    35.00000  120.00000
   60    68    69    35.00000  120.00000
   60    68    73    63.00000  120.00000
   60    70    71    35.00000  109.50000
   60    70    72    35.00000  109.50000
   60    70    75    70.00000  112.17500
   68    73    74    35.00000  120.00000
   73    44    48    63.00000  120.00000
   73    68    69    35.00000  120.00000
   70    60    68    70.00000  120.00000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    70.00000  109.69300
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    78    79    70.00000  117.00000
   75    78    80    70.00000  117.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   80    78    79    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    61   0.44750  1.0 1.0
   29    33    38    61  -0.17800 -1.0 2.0
   29    33    38    61   0.20200  1.0 3.0
   29    33    40    44   0.14700  1.0 1.0
   29    33    40    44  -1.16150 -1.0 2.0
   29    33    40    44   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    61    54   0.56750  1.0 1.0
   33    38    61    54  -0.07550 -1.0 2.0
   33    38    61    54   0.20000  1.0 3.0
   33    38    61    62   0.15000  1.0 3.0
   33    38    61    63   0.15000  1.0 3.0
   33    40    44    48   1.63200 -1.0 2.0
   33    40    44    73   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    61   0.62750  1.0 1.0
   34    33    38    61  -0.30950 -1.0 2.0
   34    33    38    61   0.27300  1.0 3.0
   34    33    40    44  -0.25600  1.0 1.0
   34    33    40    44  -0.40050 -1.0 2.0
   34    33    40    44   0.34700  1.0 3.0
   38    33    40    44  -0.32850  1.0 1.0
   38    33    40    44  -0.35800 -1.0 2.0
   38    33    40    44   0.33950  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    50   0.56750  1.0 1.0
   38    41    45    50  -0.07550 -1.0 2.0
   38    41    45    50   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    61    54   0.15000  1.0 3.0
   39    38    61    62   0.15000  1.0 3.0
   39    38    61    63   0.15000  1.0 3.0
   41    38    61    54   0.56750  1.0 1.0
   41    38    61    54  -0.07550 -1.0 2.0
   41    38    61    54   0.20000  1.0 3.0
   41    38    61    62   0.15000  1.0 3.0
   41    38    61    63   0.15000  1.0 3.0
   41    45    50    51   0.15000  1.0 3.0
   41    45   -50    54   0.56750  1.0 1.0
   41    45   -50    54  -0.07550 -1.0 2.0
   41    45   -50    54   0.20000  1.0 3.0
   41    45    50    57   0.56750  1.0 1.0
   41    45    50    57  -0.07550 -1.0 2.0
   41    45    50    57   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    50   0.15000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    61   0.56750  1.0 1.0
   45    50    54    61  -0.07550 -1.0 2.0
   45    50    54    61   0.20000  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    64   1.36600  1.0 1.0
   45    50    57    64  -0.11450 -1.0 2.0
   45    50    57    64   0.24250  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   47    45    50    57   0.15000  1.0 3.0
   50    54   -61    38   0.56750  1.0 1.0
   50    54   -61    38  -0.07550 -1.0 2.0
   50    54   -61    38   0.20000  1.0 3.0
   50    54    61    62   0.15000  1.0 3.0
   50    54    61    63   0.15000  1.0 3.0
   50    57    64    65   0.17350  1.0 3.0
   50    57    64    66   0.17350  1.0 3.0
   50    57    64    67   0.17350  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    61   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    64   0.19200  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    59   0.15000  1.0 3.0
   54    50    57    64   1.36600  1.0 1.0
   54    50    57    64  -0.11450 -1.0 2.0
   54    50    57    64   0.24250  1.0 3.0
   55    54    61    38   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   56    54    61    38   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   61    38    41    42   0.15000  1.0 3.0
   61    38    41    43   0.15000  1.0 3.0
   61    38   -41    45   0.56750  1.0 1.0
   61    38   -41    45  -0.07550 -1.0 2.0
   61    38   -41    45   0.20000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    61   0.56750  1.0 1.0
   57    50    54    61  -0.07550 -1.0 2.0
   57    50    54    61   0.20000  1.0 3.0
   58    57    64    65   0.13050  1.0 3.0
   58    57    64    66   0.13050  1.0 3.0
   58    57    64    67   0.13050  1.0 3.0
   59    57    64    65   0.13050  1.0 3.0
   59    57    64    66   0.13050  1.0 3.0
   59    57    64    67   0.13050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    52   3.62500 -1.0 2.0
   40    44    73    68   3.62500 -1.0 2.0
   40    44    73    74   3.62500 -1.0 2.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    60   3.62500 -1.0 2.0
   48    44    73    68   3.62500 -1.0 2.0
   48    44    73    74   3.62500 -1.0 2.0
   48    52   -60    68   3.62500 -1.0 2.0
   48    52    60    70   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    60   3.62500 -1.0 2.0
   52    60    68    69   3.62500 -1.0 2.0
   52    60    68    73   3.62500 -1.0 2.0
   52    60    70    71   0.00000  1.0 1.0
   52    60    70    72   0.00000  1.0 1.0
   52    60    70    75   0.04150 -1.0 2.0
   53    52    60    68   3.62500 -1.0 2.0
   53    52    60    70   3.62500 -1.0 2.0
   60    68   -73    44   3.62500 -1.0 2.0
   60    68    73    74   3.62500 -1.0 2.0
   60    70    75    76   0.43200  1.0 3.0
   60    70    75    77   0.43200  1.0 3.0
   60    70    75    78  -2.95950  1.0 1.0
   60    70    75    78   0.02300  1.0 3.0
   68    60    70    71   0.00000  1.0 1.0
   68    60    70    72   0.00000  1.0 1.0
   68    60    70    75   0.04150 -1.0 2.0
   69    68    73    44   3.62500 -1.0 2.0
   69    68    73    74   3.62500 -1.0 2.0
   73    44    48    49   3.62500 -1.0 2.0
   73    44   -48    52   3.62500 -1.0 2.0
   70    60    68    69   3.62500 -1.0 2.0
   70    60    68    73   3.62500 -1.0 2.0
   70    75    78    79   0.41150 -1.0 2.0
   70    75    78    80   0.41150 -1.0 2.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78  -0.11250  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    78  -0.11250  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.00000  1.0 1.0
   77    75    78    80   0.00000  1.0 1.0
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
   48    73    44    40   4.00000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   60    53    52    48   1.10000 -1.0 2.0
   68    70    60    52   4.00000 -1.0 2.0
   73    69    68    60   1.10000 -1.0 2.0
   68    74    73    44   1.10000 -1.0 2.0
   79    75    78    80  10.50000 -1.0 2.0
END
