* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    157    257     472
    1     0 S   NP   _N1_     1    28.80186    94.59077   -20.52728
    2     1 S   H    _HN1     2     1.02778    85.23713   -78.56229
    3     1 S   H    _H1_     3     1.02961    93.50824    29.55687
    4     1 S   H    _H2_     4     1.02838    32.35282   146.40332
    5     1 S   CT   _CA1     5     1.50111   142.50695   160.39985
    6     5 S   HC   _HA1     6     1.09567   105.27541    51.25260
    7     5 S   CO3  _C1_     7     1.53832   112.33764   -69.09552
    8     7 S   O2Z  _O11     8     1.26366   115.00320   -43.96706
    9     7 S   O2Z  _O12     9     1.26235   114.93889   135.25644
   10     5 S   CT   _CB1    10     1.53089   107.44697   169.29310
   11    10 S   HC   HB11    11     1.09819   109.51758   -49.55142
   12    10 S   HC   HB12    12     1.09831   110.33101    67.05276
   13    10 S   CT   _CG1    13     1.53007   112.63497  -170.63836
   14    13 S   HC   HG11    14     1.09573   110.36575   -59.93022
   15    13 S   HC   HG12    15     1.09626   110.14151    59.26683
   16    13 S   C    _CD1    16     1.51791   112.16294   179.60336
   17    16 S   O    _OE1    17     1.22727   123.20039    -9.44082
   18    16 S   N    _N2_    18     1.38599   111.66630   170.80568
   19    18 S   H    _HN2    19     1.01584   119.04104     1.90670
   20    18 S   CT1  _CA2    20     1.46296   123.41183  -176.59142
   21    20 S   HC   _HA2    21     1.09729   109.38078   -13.92812
   22    20 S   C    _C2_    22     1.53366   108.38509  -129.75943
   23    22 S   O    _O2_    23     1.23007   122.28817  -145.82504
   24    20 S   CT   _CB2    32     1.53473   111.11051   108.05644
   25    24 S   HC   HB21    33     1.09577   109.48006    55.70506
   26    24 S   HC   HB22    34     1.09496   110.79439   174.41293
   27    22 S   N    _N3_    24     1.38527   113.32808    41.57317
   28    27 S   H    _HN3    25     1.01529   118.90039    -0.57743
   29    24 S   S    _SG2    35     1.82851   111.44322   -65.88054
   30    27 S   CT   _CA3    26     1.45447   123.42185   175.07395
   31    30 S   HC   HA31    27     1.09525   109.20180    25.09046
   32    30 S   HC   HA32    28     1.09494   107.13192   142.09147
   33    29 S   CT   _C12    36     1.83233    99.70367   149.55895
   34    33 S   HC   _H8_    37     1.09490   110.75943   -40.27364
   35    30 S   CO3  _C3_    29     1.52928   113.13410   -98.35997
   36    35 S   O2Z  _O31    30     1.26400   115.41219   -44.28112
   37    35 S   O2Z  _O32    31     1.26356   114.97667   136.65367
   38    33 S   CM   _C13    38     1.49129   108.79999    81.37858
   39    38 S   HC   _H14    39     1.08372   123.28662   -45.90304
   40    38 S   CMA  _C14    40     1.34176   113.83376   135.83723
   41    40 S   OM   _O33    41     1.25872   132.64243   178.70714
   42    40 S   CT   _C10    42     1.55641   109.93903     1.86046
   43    33 S   CT   _C11    43     1.55126   112.31178  -165.54225
   44    43 S   HC   _H7_    44     1.10159   107.33814   -30.20142
   45    42 S   CT   _C9_    54     1.56371   112.70069  -136.84736
   46    45 S   HC   _H6_    55     1.09912   108.66633    26.23175
   47    42 S   CT   _C15    76     1.55223   106.32552    99.26628
   48    47 S   HC   _H15    77     1.09013   113.07029  -179.98022
   49    47 S   HC   _H16    78     1.09664   111.72427    60.06104
   50    47 S   HC   _H17    79     1.09674   111.45511   -59.35813
   51    43 S   CT   _C5_    45     1.56644   115.01492    88.70726
   52    51 S   HC   _H3_    46     1.09563   108.78011    75.48741
   53    45 S   OS   _O34    56     1.44177   112.35330   -89.82931
   54    51 S   CT   _C6_    47     1.54680   113.59928  -164.50067
   55    54 S   HC   _H12    48     1.09877   109.94151    70.58067
   56    54 S   HC   _H13    49     1.09880   109.03224  -175.23428
   57    53 S   CO   _C16    57     1.44152   110.46776  -142.14876
   58    51 S   CT   _C4_    72     1.53739   114.05815   -41.75626
   59    58 S   HC   _H9_    73     1.09463   111.52164   -59.74994
   60    58 S   HC   _H10    74     1.09612   110.56359  -179.15582
   61    58 S   HC   _H11    75     1.09361   111.71295    62.68793
   62    54 S   CT   _C7_    50     1.52033   115.18349   -53.59752
   63    62 S   HC   _H4_    51     1.09147   109.40511   -56.92628
   64    71 S   CT   _C17    58     1.51788   103.10903   155.97674
   65    57 S   CT   _C20    66     1.52539   108.59761  -133.39533
   66    65 S   HC   _H21    67     1.09660   110.51918   -61.31884
   67    65 S   HC   _H22    68     1.09481   111.20714   179.90309
   68    65 S   HC   _H23    69     1.09444   111.95291    56.93408
   69    57 S   OH   _O37    70     1.43047   108.04994   109.64805
   70    69 S   HO   _H24    71     0.97169   107.80914    76.26228
   71    62 S   CT   _C8_    52     1.51119   112.86941    71.67106
   72    71 S   HC   _H5_    53     1.09826   109.77095    37.18447
   73    64 S   CO4  _C18    59     1.51528   101.48834   -28.76088
   74    73 S   O    _O35    60     1.22177   125.78552  -167.71272
   75    64 S   CT   _C19    62     1.53089   110.62888  -145.86656
   76    75 S   HC   _H18    63     1.09490   111.94120   -60.72501
   77    75 S   HC   _H19    64     1.09552   111.18473   178.06144
   78    75 S   HC   _H20    65     1.09663   111.10943    59.62357
   79    62 S   OS   _O36    61     1.43600   110.46217  -173.33032
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  19   7   6   2
   1   1  12   8  13  13   6   5  17   4   2   1   1   8   5  15
   8   3   2   1   4   1   8   3   6   2   4   2   1   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    58    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    71    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    62    71    72    45    46    53    57    64    58    47    48    49    50  
   44    51    52    54    55    56    62    71    45    46    53    58    59    60    61    47    48    49    50  
   51    52    54    45    58    47  
   46    53    57    64    73    79    75    65    69    47    48    49    50    51    54    62    63    71    72  
   53    57    64    47    62    71    72  
   48    49    50    51    53    71  
   49    50  
   50  
    0  
   52    54    55    56    62    63    71    79    58    59    60    61  
   54    55    56    62    58    59    60    61  
   57    64    73    75    65    66    67    68    69    70    62    71    72  
   55    56    62    63    71    72    64    73    79    58    59    60    61  
   56    62    63    71    79    58  
   62    63    71    79    58  
   64    73    74    79    75    76    77    78    65    66    67    68    69    70    62    71    72  
   59    60    61    62  
   60    61  
   61  
    0  
   63    71    72    64    73    74    79    75  
   71    72    64    73    79  
   73    74    79    75    76    77    78    65    66    67    68    69    70    71    72  
   66    67    68    69    70    71    73    75  
   67    68    69  
   68    69  
   69  
   70    71    73    75  
    0  
   72    73    74    79    75    76    77    78  
   73    79    75  
   74    79    75    76    77    78  
   79    75  
   76    77    78    79  
   77    78  
   78  
    0  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    58   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    71   268.000  1.529
   62    79   320.000  1.410
   71    72   340.000  1.090
   71    45   268.000  1.529
   71    64   268.000  1.529
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    57   320.000  1.380
   57    64   250.000  1.527
   57    65   250.000  1.527
   57    69   380.000  1.407
   64    73   317.000  1.522
   64    75   268.000  1.529
   73    74   570.000  1.229
   73    79   214.000  1.327
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    71    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    62    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    71    58.35000  112.70000
   54    62    79    50.00000  109.50000
   56    54    55    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    71    72    37.50000  110.70000
   62    71    45    58.35000  112.70000
   62    71    64    58.35000  112.70000
   62    79    73    83.00000  116.90000
   71    62    63    37.50000  110.70000
   71    45    46    37.50000  110.70000
   71    45    53    50.00000  109.50000
   71    64    57    75.00000  109.43000
   71    64    73    63.00000  111.10000
   71    64    75    58.35000  112.70000
   45    42    43    58.35000  112.70000
   45    71    72    37.50000  110.70000
   45    53    57    60.00000  109.50000
   53    45    46    35.00000  109.50000
   53    57    64    90.00000  108.56700
   53    57    65    90.00000  108.56700
   53    57    69   110.00000  112.08000
   57    64    73    63.00000  111.10000
   57    64    75    75.00000  109.43000
   57    65    66    45.00000  108.72000
   57    65    67    45.00000  108.72000
   57    65    68    45.00000  108.72000
   57    69    70    70.00000  107.92000
   64    71    72    37.50000  110.70000
   64    71    45    58.35000  112.70000
   64    73    74    80.00000  120.40000
   64    73    79    81.00000  111.40000
   64    75    76    37.50000  110.70000
   64    75    77    37.50000  110.70000
   64    75    78    37.50000  110.70000
   79    62    63    35.00000  109.50000
   79    62    71    50.00000  109.50000
   79    73    74    83.00000  123.40000
   75    64    73    63.00000  111.10000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   65    57    64    65.00000  112.71400
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    57    64    90.00000  110.19100
   69    57    65    90.00000  110.19100
   58    51    52    37.50000  110.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54   0.56750  1.0 1.0
   33    43    51    54  -0.07550 -1.0 2.0
   33    43    51    54   0.20000  1.0 3.0
   33    43    51    58   0.56750  1.0 1.0
   33    43    51    58  -0.07550 -1.0 2.0
   33    43    51    58   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    71   0.34400  1.0 1.0
   40    42    45    71   0.09450 -1.0 2.0
   40    42    45    71   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54   0.56750  1.0 1.0
   42    43    51    54  -0.07550 -1.0 2.0
   42    43    51    54   0.20000  1.0 3.0
   42    43    51    58   0.56750  1.0 1.0
   42    43    51    58  -0.07550 -1.0 2.0
   42    43    51    58   0.20000  1.0 3.0
   42    45    53    57   0.06250  1.0 1.0
   42    45    53    57  -0.01100 -1.0 2.0
   42    45    53    57   0.28050  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    71   0.56750  1.0 1.0
   43    42    45    71  -0.07550 -1.0 2.0
   43    42    45    71   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    56   0.15000  1.0 3.0
   43    51    54    62   0.56750  1.0 1.0
   43    51    54    62  -0.07550 -1.0 2.0
   43    51    54    62   0.20000  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    54    62    63   0.15000  1.0 3.0
   51    54    62    71   0.56750  1.0 1.0
   51    54    62    71  -0.07550 -1.0 2.0
   51    54    62    71   0.20000  1.0 3.0
   51    54    62    79   0.62750  1.0 1.0
   51    54    62    79  -0.30950 -1.0 2.0
   51    54    62    79   0.27300  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    62   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   54    62    71    72   0.15000  1.0 3.0
   54    62    71    45   0.56750  1.0 1.0
   54    62    71    45  -0.07550 -1.0 2.0
   54    62    71    45   0.20000  1.0 3.0
   54    62    71    64   0.56750  1.0 1.0
   54    62    71    64  -0.07550 -1.0 2.0
   54    62    71    64   0.20000  1.0 3.0
   54    62    79    73  -0.25900  1.0 1.0
   54    62    79    73  -0.47000 -1.0 2.0
   54    62    79    73   0.11750  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    71   0.15000  1.0 3.0
   55    54    62    79   0.23400  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    71   0.15000  1.0 3.0
   56    54    62    79   0.23400  1.0 3.0
   62    71    45    42   0.56750  1.0 1.0
   62    71    45    42  -0.07550 -1.0 2.0
   62    71    45    42   0.20000  1.0 3.0
   62    71    45    46   0.15000  1.0 3.0
   62    71    45    53   0.62750  1.0 1.0
   62    71    45    53  -0.30950 -1.0 2.0
   62    71    45    53   0.27300  1.0 3.0
   62    71    64    57   3.97050  1.0 1.0
   62    71   -64    73  -0.95700  1.0 1.0
   62    71   -64    73  -0.18200 -1.0 2.0
   62    71   -64    73   0.29450  1.0 3.0
   62    71    64    75   0.56750  1.0 1.0
   62    71    64    75  -0.07550 -1.0 2.0
   62    71    64    75   0.20000  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    45   0.15000  1.0 3.0
   63    62    71    64   0.15000  1.0 3.0
   63    62    79    73   0.08050  1.0 3.0
   71    62   -79    73  -0.25900  1.0 1.0
   71    62   -79    73  -0.47000 -1.0 2.0
   71    62   -79    73   0.11750  1.0 3.0
   71    45   -53    57   0.06250  1.0 1.0
   71    45   -53    57  -0.01100 -1.0 2.0
   71    45   -53    57   0.28050  1.0 3.0
   71    64    73    74   0.30150 -1.0 2.0
   71    64   -73    79   0.36750  1.0 3.0
   71    64    75    76   0.15000  1.0 3.0
   71    64    75    77   0.15000  1.0 3.0
   71    64    75    78   0.15000  1.0 3.0
   72    71    45    42   0.15000  1.0 3.0
   72    71    45    46   0.15000  1.0 3.0
   72    71    45    53   0.23400  1.0 3.0
   72    71    64    57   0.15000  1.0 3.0
   72    71    64    73  -0.11250  1.0 3.0
   72    71    64    75   0.15000  1.0 3.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    71   -64    57   3.97050  1.0 1.0
   45    71    64    73  -0.95700  1.0 1.0
   45    71    64    73  -0.18200 -1.0 2.0
   45    71    64    73   0.29450  1.0 3.0
   45    71    64    75   0.56750  1.0 1.0
   45    71    64    75  -0.07550 -1.0 2.0
   45    71    64    75   0.20000  1.0 3.0
   45    53   -57    64   0.06250  1.0 1.0
   45    53   -57    64  -0.01100 -1.0 2.0
   45    53   -57    64   0.28050  1.0 3.0
   45    53    57    65   0.06250  1.0 1.0
   45    53    57    65  -0.01100 -1.0 2.0
   45    53    57    65   0.28050  1.0 3.0
   45    53    57    69  -0.70900  1.0 1.0
   45    53    57    69  -1.18000 -1.0 2.0
   45    53    57    69   0.91650  1.0 3.0
   46    45    53    57   0.37050  1.0 3.0
   53    57   -64    71   0.62750  1.0 1.0
   53    57   -64    71  -0.30950 -1.0 2.0
   53    57   -64    71   0.27300  1.0 3.0
   53    57    64    73  -0.09450  1.0 1.0
   53    57    64    73  -1.12950 -1.0 2.0
   53    57    64    73   0.54000  1.0 3.0
   53    57    64    75   0.62750  1.0 1.0
   53    57    64    75  -0.30950 -1.0 2.0
   53    57    64    75   0.27300  1.0 3.0
   53    57    65    66   0.23400  1.0 3.0
   53    57    65    67   0.23400  1.0 3.0
   53    57    65    68   0.23400  1.0 3.0
   53    57    69    70  -0.50000  1.0 1.0
   53    57    69    70  -0.73950 -1.0 2.0
   53    57    69    70   0.17150  1.0 3.0
   57    64    73    74   0.30150 -1.0 2.0
   57    64    73    79   0.36750  1.0 3.0
   57    64    75    76   0.15000  1.0 3.0
   57    64    75    77   0.15000  1.0 3.0
   57    64    75    78   0.15000  1.0 3.0
   64    71    45    42   0.56750  1.0 1.0
   64    71    45    42  -0.07550 -1.0 2.0
   64    71    45    42   0.20000  1.0 3.0
   64    71    45    46   0.15000  1.0 3.0
   64    71   -45    53   0.62750  1.0 1.0
   64    71   -45    53  -0.30950 -1.0 2.0
   64    71   -45    53   0.27300  1.0 3.0
   64    57    65    66   0.15000  1.0 3.0
   64    57    65    67   0.15000  1.0 3.0
   64    57    65    68   0.15000  1.0 3.0
   64    57    69    70  -0.11600  1.0 1.0
   64    57    69    70  -0.09450 -1.0 2.0
   64    57    69    70   0.21250  1.0 3.0
   64    73   -79    62   1.63150  1.0 1.0
   64    73   -79    62   2.92000 -1.0 2.0
   73    64    75    76  -0.11250  1.0 3.0
   73    64    75    77  -0.11250  1.0 3.0
   73    64    75    78  -0.11250  1.0 3.0
   74    73    79    62   3.00000 -1.0 2.0
   79    62    71    72   0.23400  1.0 3.0
   79    62    71    45   0.62750  1.0 1.0
   79    62    71    45  -0.30950 -1.0 2.0
   79    62    71    45   0.27300  1.0 3.0
   79    62   -71    64   0.62750  1.0 1.0
   79    62   -71    64  -0.30950 -1.0 2.0
   79    62   -71    64   0.27300  1.0 3.0
   75    64    73    74   0.30150 -1.0 2.0
   75    64    73    79   0.36750  1.0 3.0
   65    57    64    71   0.56750  1.0 1.0
   65    57    64    71  -0.07550 -1.0 2.0
   65    57    64    71   0.20000  1.0 3.0
   65    57    64    73  -0.95700  1.0 1.0
   65    57    64    73  -0.18200 -1.0 2.0
   65    57    64    73   0.29450  1.0 3.0
   65    57    64    75   0.56750  1.0 1.0
   65    57    64    75  -0.07550 -1.0 2.0
   65    57    64    75   0.20000  1.0 3.0
   65    57    69    70  -0.11600  1.0 1.0
   65    57    69    70  -0.09450 -1.0 2.0
   65    57    69    70   0.21250  1.0 3.0
   69    57    64    71   0.86500  1.0 1.0
   69    57    64    71  -0.17500 -1.0 2.0
   69    57    64    71   0.20800  1.0 3.0
   69    57    64    73  -0.09450  1.0 1.0
   69    57    64    73  -1.12950 -1.0 2.0
   69    57    64    73   0.54000  1.0 3.0
   69    57    64    75   0.86500  1.0 1.0
   69    57    64    75  -0.17500 -1.0 2.0
   69    57    64    75   0.20800  1.0 3.0
   69    57    65    66   0.23400  1.0 3.0
   69    57    65    67   0.23400  1.0 3.0
   69    57    65    68   0.23400  1.0 3.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    56   0.15000  1.0 3.0
   58    51    54    62   0.56750  1.0 1.0
   58    51    54    62  -0.07550 -1.0 2.0
   58    51    54    62   0.20000  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    71   0.56750  1.0 1.0
   47    42    45    71  -0.07550 -1.0 2.0
   47    42    45    71   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   64    79    73    74  10.50000 -1.0 2.0
END
