* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    163    255     471
    1     0 S   NP   _N1_     1    29.19238    97.29351   -23.62833
    2     1 S   H    _HN1     2     1.02949    70.13499    -5.72509
    3     1 S   H    _H1_     3     1.02829    37.84520   161.31536
    4     1 S   H    _H2_     4     1.02790   112.38427  -108.04748
    5     1 S   CT   _CA1     5     1.50114   132.25704    94.23676
    6     5 S   HC   _HA1     6     1.09574   105.18976    96.45170
    7     5 S   CO3  _C1_     7     1.53781   112.42874   -23.78446
    8     7 S   O2Z  _O11     8     1.26372   115.01434   -43.63923
    9     7 S   O2Z  _O12     9     1.26236   114.93931   135.44105
   10     5 S   CT   _CB1    10     1.53071   107.41266  -145.59003
   11    10 S   HC   HB11    11     1.09837   109.35775   -49.72507
   12    10 S   HC   HB12    12     1.09813   110.46508    66.87336
   13    10 S   CT   _CG1    13     1.53004   112.61481  -170.68382
   14    13 S   HC   HG11    14     1.09579   110.66778   -66.00525
   15    13 S   HC   HG12    15     1.09671   109.75788    53.23392
   16    13 S   C    _CD1    16     1.51810   112.13073   173.69323
   17    16 S   O    _OE1    17     1.22747   123.23897     8.61657
   18    16 S   N    _N2_    18     1.38638   111.73171  -171.41197
   19    18 S   H    _HN2    19     1.01591   119.01117     1.40263
   20    18 S   CT1  _CA2    20     1.46213   123.41626   177.34635
   21    20 S   HC   _HA2    21     1.09730   109.28068     6.26159
   22    20 S   C    _C2_    22     1.53674   109.13413  -109.38003
   23    22 S   O    _O2_    23     1.23093   122.18816  -151.26456
   24    20 S   CT   _CB2    32     1.53266   111.43709   128.22037
   25    24 S   HC   HB21    33     1.09517   109.78134    56.71911
   26    24 S   HC   HB22    34     1.09466   110.19641   175.70263
   27    22 S   N    _N3_    24     1.38288   113.93827    36.26055
   28    27 S   H    _HN3    25     1.01554   119.58780    -3.51207
   29    24 S   S    _SG2    35     1.82772   111.69802   -64.83371
   30    27 S   CT   _CA3    26     1.45278   123.25582   177.16227
   31    30 S   HC   HA31    27     1.09551   107.53303   -64.22896
   32    30 S   HC   HA32    28     1.09559   107.96909    52.21891
   33    29 S   CT   _C19    36     1.83373    99.28057   176.10424
   34    33 S   HC   _H6_    37     1.09414   107.83774    46.26463
   35    30 S   CO3  _C3_    29     1.52970   114.04938   174.20245
   36    35 S   O2Z  _O31    30     1.26382   116.07130    -0.38155
   37    35 S   O2Z  _O32    31     1.26425   114.41860   179.67555
   38    33 S   CM   _C18    38     1.50901   109.37343   -76.63081
   39    38 S   HC   _H17    39     1.09208   114.94223   -61.88722
   40    33 S   CT   _C20    80     1.52758   108.79130   162.86590
   41    40 S   HC   _H18    81     1.09660   112.25658    61.10510
   42    40 S   HC   _H19    82     1.09639   110.44179  -179.09734
   43    40 S   HC   _H20    83     1.09603   111.22069   -60.21691
   44    38 S   CMA  _C17    40     1.35565   127.24858   118.72575
   45    44 S   OM   _O37    41     1.26793   123.29688   179.51302
   46    44 S   OS   _O36    42     1.41613   111.35293    -0.32686
   47    46 S   CT   _C12    43     1.43814   117.72118  -174.11277
   48    47 S   HC   _H4_    44     1.09247   109.80255    38.11960
   49    47 S   CT   _C13    45     1.55541   109.03460   -84.99919
   50    49 S   HC   _H13    46     1.09452   111.58881   121.96899
   51    49 S   HC   _H14    47     1.09645   110.39541     1.75881
   52    49 S   CT   _C14    48     1.53512   105.14432  -116.42013
   53    52 S   HC   _H5_    49     1.09419   111.79463   148.73047
   54    52 S   C3T  _C15    50     1.48677   102.87847    26.16797
   55    52 S   OS   _O35    67     1.43244   112.11834   -89.61582
   56    54 S   C3T  _C16    51     1.50942   124.90389   149.96814
   57    56 S   HC   _H15    52     1.08253   118.27370     7.41201
   58    56 S   HC   _H16    53     1.08168   119.32855   155.06301
   59    47 S   CT   _C11    55     1.58791   109.70394   159.98206
   60    54 S   O3T  _O34    54     1.43602   114.37571    82.84193
   61    59 S   CT   _C8_    56     1.60475   110.56966  -159.07182
   62    59 S   CT   _C21    76     1.53337   112.40845   -31.37357
   63    62 S   HC   _H21    77     1.09359   112.07133   179.76845
   64    62 S   HC   _H22    78     1.09517   111.98048    60.88363
   65    62 S   HC   _H23    79     1.09411   111.24172   -59.05379
   66    61 S   CT   _C9_    57     1.55268   111.43003  -172.25788
   67    66 S   HC   _H11    58     1.09335   112.15863    52.35132
   68    66 S   HC   _H12    59     1.09593   110.25161   -67.75570
   69    61 S   CT   _C22    72     1.55457   110.85345    68.40416
   70    69 S   HC   _H24    73     1.09282   112.38514   -58.88488
   71    69 S   HC   _H25    74     1.09508   112.15052  -178.42953
   72    69 S   HC   _H26    75     1.09487   111.40439    62.12831
   73    66 S   CO4  _C10    60     1.51674   113.55670   171.96982
   74    73 S   O    _O33    61     1.23061   120.88182   147.97834
   75    73 S   CM   _C5_    62     1.48951   118.59229   -35.52478
   76    75 S   CM   _C6_    63     1.34031   118.65437     6.72610
   77    76 S   HC   _H10    64     1.08833   118.78478  -177.97078
   78    75 S   CT   _C4_    68     1.49549   117.74469  -172.37141
   79    78 S   HC   _H7_    69     1.09489   110.44024   -61.34036
   80    78 S   HC   _H8_    70     1.09513   111.93797   178.73421
   81    78 S   HC   _H9_    71     1.09490   110.48217    58.79082
   82    61 S   CT   _C7_    65     1.56596   109.28783   -52.43677
   83    82 S   HC   _H3_    66     1.09724   109.09851    77.62940
  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
  10   7   2   1   1   9   4   4   2   1   1   6   2  10  19   8
  12   6   5  13   6  14  11   6   3   2  17   2  18   6   2   1
   1  13   6   5   7   3   2   1   9   3   8   7   3   4   2   1
   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    46    40    41    42    43  
   38    39    44    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    46    47    40    41    42    43  
   44    45    46    40  
   41    42    43    44  
   42    43  
   43  
    0  
   45    46    47    48    49    59  
   46    47  
   47    48    49    50    51    52    54    59    61    62  
   48    49    50    51    52    53    54    56    60    59    61    66    82    55    69    62    63    64    65  
   49    50    51    52    54    59    61    62  
   50    51    52    53    54    56    60    59    61    82    55    62  
   51    52    53    54    59    55  
   52    53    54    59    55  
   53    54    56    57    58    60    59    61    76    82    83    55    62  
   54    56    60    59    82    55  
   56    57    58    60    59    61    66    82    55    69    62    63    64    65  
   69    56    59    60    61    66    75    76    77    82    83  
   57    58    60    59    61    62  
   58    60    59  
   60    59  
   61    66    67    68    73    76    82    83    69    70    71    72    62    63    64    65    60  
   61    62  
   66    67    68    73    74    75    76    77    82    83    69    70    71    72    62    63    64    65  
   63    64    65    66    69    82  
   64    65  
   65  
    0  
   67    68    73    74    75    76    82    83    78    69    70    71    72  
   68    73    74    75    82    69  
   73    74    75    82    69  
   70    71    72    73    76    82    83  
   71    72    82  
   72    82  
   82  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    78    79    80    81  
   77    82    83    78    79    80    81  
   82    83    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   268.000  1.529
   38    39   340.000  1.080
   38    44   465.000  1.376
   44    45   745.000  1.250
   44    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    59   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   275.000  1.510
   52    55   320.000  1.410
   54    56   260.000  1.509
   54    60   335.000  1.432
   54    59   275.000  1.510
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    60   335.000  1.432
   59    61   268.000  1.529
   59    62   268.000  1.529
   61    66   268.000  1.529
   61    82   268.000  1.529
   61    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   317.000  1.522
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    55   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    44    45    65.00000  137.10300
   38    44    46    80.00000  120.01400
   44    38    39    40.00000  120.50800
   44    46    47    90.00000  111.18400
   46    44    45    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    59    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   47    59    54    70.00000  112.37300
   47    59    61    58.35000  112.70000
   47    59    62    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    70.00000  112.37300
   49    52    55    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    56    60.00000  120.94000
   52    54    60    80.00000  116.47100
   52    54    59    58.35000  112.70000
   52    55    82    60.00000  109.50000
   54    52    53    45.00000  109.38400
   54    56    57    37.50000  117.20000
   54    56    58    37.50000  117.20000
   54    56    60    15.00000   60.43100
   54    60    56    15.00000   59.14900
   54    59    61    70.00000  112.37300
   54    59    62    70.00000  112.37300
   58    56    57    35.00000  114.30000
   60    54    56    15.00000   60.43100
   60    56    57    50.00000  114.27700
   60    56    58    50.00000  114.27700
   59    47    48    37.50000  110.70000
   59    47    49    58.35000  112.70000
   59    54    56    60.00000  120.94000
   59    54    60    80.00000  116.47100
   59    61    66    58.35000  112.70000
   59    61    82    58.35000  112.70000
   59    61    69    58.35000  112.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    73    63.00000  111.10000
   61    82    76    70.00000  112.02700
   61    82    83    37.50000  110.70000
   61    82    55    50.00000  109.50000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   66    73    74    80.00000  120.40000
   66    73    75    65.00000  118.62400
   68    66    67    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    68    35.00000  109.50000
   73    75    76    65.00000  118.96000
   73    75    78    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    55    85.00000  110.90400
   82    61    66    58.35000  112.70000
   82    76    77    35.00000  117.00000
   55    52    53    35.00000  109.50000
   55    52    54    50.00000  109.50000
   55    82    83    35.00000  109.50000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   69    61    66    58.35000  112.70000
   69    61    82    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   62    59    61    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    46    47  -2.26850  1.0 1.0
   38    44    46    47   3.39050 -1.0 2.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   7.00000 -1.0 2.0
   44    46    47    48   0.08050  1.0 3.0
   44    46    47    49  -0.46850  1.0 1.0
   44    46    47    49   0.09300 -1.0 2.0
   44    46    47    49  -0.12850  1.0 3.0
   44    46    47    59  -0.46850  1.0 1.0
   44    46    47    59   0.09300 -1.0 2.0
   44    46    47    59  -0.12850  1.0 3.0
   45    44    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    52   0.62750  1.0 1.0
   46    47    49    52  -0.30950 -1.0 2.0
   46    47    49    52   0.27300  1.0 3.0
   46    47    59    54  -0.26800  1.0 1.0
   46    47    59    54   0.69150 -1.0 2.0
   46    47    59    54  -0.48750  1.0 3.0
   46    47    59    61   0.62750  1.0 1.0
   46    47    59    61  -0.30950 -1.0 2.0
   46    47    59    61   0.27300  1.0 3.0
   46    47    59    62   0.62750  1.0 1.0
   46    47    59    62  -0.30950 -1.0 2.0
   46    47    59    62   0.27300  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49   -52    54   0.47050  1.0 1.0
   47    49   -52    54   0.03900 -1.0 2.0
   47    49   -52    54   0.20100  1.0 3.0
   47    49    52    55   0.62750  1.0 1.0
   47    49    52    55  -0.30950 -1.0 2.0
   47    49    52    55   0.27300  1.0 3.0
   47    59    61    66   0.56750  1.0 1.0
   47    59    61    66  -0.07550 -1.0 2.0
   47    59    61    66   0.20000  1.0 3.0
   47    59    61    82   0.56750  1.0 1.0
   47    59    61    82  -0.07550 -1.0 2.0
   47    59    61    82   0.20000  1.0 3.0
   47    59    61    69   0.56750  1.0 1.0
   47    59    61    69  -0.07550 -1.0 2.0
   47    59    61    69   0.20000  1.0 3.0
   47    59    62    63   0.15000  1.0 3.0
   47    59    62    64   0.15000  1.0 3.0
   47    59    62    65   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    59    54   0.15000  1.0 3.0
   48    47    59    61   0.15000  1.0 3.0
   48    47    59    62   0.15000  1.0 3.0
   49    47   -59    54   0.47050  1.0 1.0
   49    47   -59    54   0.03900 -1.0 2.0
   49    47   -59    54   0.20100  1.0 3.0
   49    47    59    61   0.56750  1.0 1.0
   49    47    59    61  -0.07550 -1.0 2.0
   49    47    59    61   0.20000  1.0 3.0
   49    47    59    62   0.56750  1.0 1.0
   49    47    59    62  -0.07550 -1.0 2.0
   49    47    59    62   0.20000  1.0 3.0
   49    52    54    56   0.07850  1.0 1.0
   49    52    54    56  -0.03950 -1.0 2.0
   49    52    54    56   0.67350  1.0 3.0
   49    52    54    60   0.02550  1.0 1.0
   49    52    54    60  -0.02600 -1.0 2.0
   49    52    54    60   1.20400  1.0 3.0
   49    52   -54    59   0.56750  1.0 1.0
   49    52   -54    59  -0.07550 -1.0 2.0
   49    52   -54    59   0.20000  1.0 3.0
   49    52    55    82   0.06250  1.0 1.0
   49    52    55    82  -0.01100 -1.0 2.0
   49    52    55    82   0.28050  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.23400  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.23400  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54   -56    60   0.02550  1.0 1.0
   52    54   -56    60  -0.02600 -1.0 2.0
   52    54   -56    60   1.20400  1.0 3.0
   52    54   -60    56   0.06250  1.0 1.0
   52    54   -60    56  -0.01100 -1.0 2.0
   52    54   -60    56   0.28050  1.0 3.0
   52    54   -59    47   0.56750  1.0 1.0
   52    54   -59    47  -0.07550 -1.0 2.0
   52    54   -59    47   0.20000  1.0 3.0
   52    54    59    61   0.56750  1.0 1.0
   52    54    59    61  -0.07550 -1.0 2.0
   52    54    59    61   0.20000  1.0 3.0
   52    54    59    62   0.56750  1.0 1.0
   52    54    59    62  -0.07550 -1.0 2.0
   52    54    59    62   0.20000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    60   0.23400  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    55    82   0.37050  1.0 3.0
   54    52    55    82   0.06250  1.0 1.0
   54    52    55    82  -0.01100 -1.0 2.0
   54    52    55    82   0.28050  1.0 3.0
   54    59    61    66   0.47050  1.0 1.0
   54    59    61    66   0.03900 -1.0 2.0
   54    59    61    66   0.20100  1.0 3.0
   54    59   -61    82   0.47050  1.0 1.0
   54    59   -61    82   0.03900 -1.0 2.0
   54    59   -61    82   0.20100  1.0 3.0
   54    59    61    69   0.47050  1.0 1.0
   54    59    61    69   0.03900 -1.0 2.0
   54    59    61    69   0.20100  1.0 3.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    62    64   0.15000  1.0 3.0
   54    59    62    65   0.15000  1.0 3.0
   56    54    59    47   0.07850  1.0 1.0
   56    54    59    47  -0.03950 -1.0 2.0
   56    54    59    47   0.67350  1.0 3.0
   56    54    59    61   0.07850  1.0 1.0
   56    54    59    61  -0.03950 -1.0 2.0
   56    54    59    61   0.67350  1.0 3.0
   56    54    59    62   0.07850  1.0 1.0
   56    54    59    62  -0.03950 -1.0 2.0
   56    54    59    62   0.67350  1.0 3.0
   57    56   -60    54   0.36800  1.0 3.0
   58    56   -60    54   0.36800  1.0 3.0
   60    54   -56    57   0.23400  1.0 3.0
   60    54   -56    58   0.23400  1.0 3.0
   60    54    59    47   0.02550  1.0 1.0
   60    54    59    47  -0.02600 -1.0 2.0
   60    54    59    47   1.20400  1.0 3.0
   60    54    59    61   0.02550  1.0 1.0
   60    54    59    61  -0.02600 -1.0 2.0
   60    54    59    61   1.20400  1.0 3.0
   60    54    59    62   0.02550  1.0 1.0
   60    54    59    62  -0.02600 -1.0 2.0
   60    54    59    62   1.20400  1.0 3.0
   59    47    49    50   0.15000  1.0 3.0
   59    47    49    51   0.15000  1.0 3.0
   59    47   -49    52   0.56750  1.0 1.0
   59    47   -49    52  -0.07550 -1.0 2.0
   59    47   -49    52   0.20000  1.0 3.0
   59    54    56    57   0.15000  1.0 3.0
   59    54    56    58   0.15000  1.0 3.0
   59    54   -56    60   0.02550  1.0 1.0
   59    54   -56    60  -0.02600 -1.0 2.0
   59    54   -56    60   1.20400  1.0 3.0
   59    54   -60    56   0.06250  1.0 1.0
   59    54   -60    56  -0.01100 -1.0 2.0
   59    54   -60    56   0.28050  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61    66    68   0.15000  1.0 3.0
   59    61    66    73  -0.95700  1.0 1.0
   59    61    66    73  -0.18200 -1.0 2.0
   59    61    66    73   0.29450  1.0 3.0
   59    61    82    76   0.34400  1.0 1.0
   59    61    82    76   0.09450 -1.0 2.0
   59    61    82    76   0.11100  1.0 3.0
   59    61    82    83   0.15000  1.0 3.0
   59    61    82    55   0.62750  1.0 1.0
   59    61    82    55  -0.30950 -1.0 2.0
   59    61    82    55   0.27300  1.0 3.0
   59    61    69    70   0.15000  1.0 3.0
   59    61    69    71   0.15000  1.0 3.0
   59    61    69    72   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   61    66    73    74   0.30150 -1.0 2.0
   61    66    73    75   0.65300  1.0 1.0
   61    66    73    75  -0.03850 -1.0 2.0
   61    66    73    75   0.33900  1.0 3.0
   61    82   -55    52   0.06250  1.0 1.0
   61    82   -55    52  -0.01100 -1.0 2.0
   61    82   -55    52   0.28050  1.0 3.0
   66    61    82    76   0.34400  1.0 1.0
   66    61    82    76   0.09450 -1.0 2.0
   66    61    82    76   0.11100  1.0 3.0
   66    61    82    83   0.15000  1.0 3.0
   66    61    82    55   0.62750  1.0 1.0
   66    61    82    55  -0.30950 -1.0 2.0
   66    61    82    55   0.27300  1.0 3.0
   66    61    69    70   0.15000  1.0 3.0
   66    61    69    71   0.15000  1.0 3.0
   66    61    69    72   0.15000  1.0 3.0
   66    73   -75    76  -0.33500  1.0 1.0
   66    73   -75    76   1.06600 -1.0 2.0
   66    73   -75    76  -0.14000  1.0 3.0
   66    73    75    78   0.25700  1.0 1.0
   66    73    75    78   0.66200 -1.0 2.0
   66    73    75    78   0.04450  1.0 3.0
   67    66    73    74   0.00000  1.0 1.0
   67    66    73    75   0.00000  1.0 1.0
   68    66    73    74   0.00000  1.0 1.0
   68    66    73    75   0.00000  1.0 1.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    81   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    78  -0.64400  1.0 1.0
   74    73    75    78   0.26850 -1.0 2.0
   75    76   -82    61   0.09850  1.0 1.0
   75    76   -82    61   0.15250 -1.0 2.0
   75    76   -82    61  -0.50650  1.0 3.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    55   0.39000  1.0 1.0
   75    76    82    55  -0.05800 -1.0 2.0
   75    76    82    55  -0.55150  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   76    82    55    52  -0.77900  1.0 1.0
   76    82    55    52  -0.36900 -1.0 2.0
   76    82    55    52   0.40400  1.0 3.0
   77    76    82    61   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    55   0.00000  1.0 1.0
   82    61    66    67   0.15000  1.0 3.0
   82    61    66    68   0.15000  1.0 3.0
   82    61   -66    73  -0.95700  1.0 1.0
   82    61   -66    73  -0.18200 -1.0 2.0
   82    61   -66    73   0.29450  1.0 3.0
   82    61    69    70   0.15000  1.0 3.0
   82    61    69    71   0.15000  1.0 3.0
   82    61    69    72   0.15000  1.0 3.0
   83    82    55    52   0.37050  1.0 3.0
   55    52    54    56  -0.26800  1.0 1.0
   55    52    54    56   0.69150 -1.0 2.0
   55    52    54    56  -0.48750  1.0 3.0
   55    52    54    60   1.11900  1.0 1.0
   55    52    54    60  -1.16350 -1.0 2.0
   55    52    54    60  -0.34150  1.0 3.0
   55    52   -54    59   0.62750  1.0 1.0
   55    52   -54    59  -0.30950 -1.0 2.0
   55    52   -54    59   0.27300  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   69    61    66    67   0.15000  1.0 3.0
   69    61    66    68   0.15000  1.0 3.0
   69    61    66    73  -0.95700  1.0 1.0
   69    61    66    73  -0.18200 -1.0 2.0
   69    61    66    73   0.29450  1.0 3.0
   69    61    82    76   0.34400  1.0 1.0
   69    61    82    76   0.09450 -1.0 2.0
   69    61    82    76   0.11100  1.0 3.0
   69    61    82    83   0.15000  1.0 3.0
   69    61    82    55   0.62750  1.0 1.0
   69    61    82    55  -0.30950 -1.0 2.0
   69    61    82    55   0.27300  1.0 3.0
   62    59    61    66   0.56750  1.0 1.0
   62    59    61    66  -0.07550 -1.0 2.0
   62    59    61    66   0.20000  1.0 3.0
   62    59    61    82   0.56750  1.0 1.0
   62    59    61    82  -0.07550 -1.0 2.0
   62    59    61    82   0.20000  1.0 3.0
   62    59    61    69   0.56750  1.0 1.0
   62    59    61    69  -0.07550 -1.0 2.0
   62    59    61    69   0.20000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    44   0.09850  1.0 1.0
   40    33    38    44   0.15250 -1.0 2.0
   40    33    38    44  -0.50650  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    44  15.00000 -1.0 2.0
   45    46    44    38  15.00000 -1.0 2.0
   66    75    73    74  10.50000 -1.0 2.0
   73    78    75    76   1.10000 -1.0 2.0
   82    77    76    75   1.10000 -1.0 2.0
END
