* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    248     464
    1     0 S   NP   _N1_     1    28.73595    95.65792   -22.87804
    2     1 S   H    _HN1     2     1.02797   104.63171  -112.83329
    3     1 S   H    _H1_     3     1.02948    77.81464    -6.79720
    4     1 S   H    _H2_     4     1.02832    32.53360   146.81023
    5     1 S   CT   _CA1     5     1.50115   136.29875   100.18168
    6     5 S   HC   _HA1     6     1.09545   105.25951    84.04056
    7     5 S   CO3  _C1_     7     1.53757   112.59785   -36.55424
    8     7 S   O2Z  _O11     8     1.26441   114.97496   -37.70362
    9     7 S   O2Z  _O12     9     1.26206   115.25831   141.92413
   10     5 S   CT   _CB1    10     1.53101   107.47562  -157.44188
   11    10 S   HC   HB11    11     1.09831   109.78727   -45.24279
   12    10 S   HC   HB12    12     1.09827   110.30275    71.52915
   13    10 S   CT   _CG1    13     1.52976   112.47148  -165.99928
   14    13 S   HC   HG11    14     1.09575   110.81980   -62.49020
   15    13 S   HC   HG12    15     1.09651   109.70576    56.76721
   16    13 S   C    _CD1    16     1.51723   112.08614   177.70510
   17    16 S   O    _OE1    17     1.22744   123.20552    13.16970
   18    16 S   N    _N2_    18     1.38616   111.74000  -167.95409
   19    18 S   H    _HN2    19     1.01586   119.11127     4.07948
   20    18 S   CT1  _CA2    20     1.46261   123.36806  -177.10342
   21    20 S   HC   _HA2    21     1.09735   109.16148     6.06589
   22    20 S   C    _C2_    22     1.53474   109.57031  -109.94616
   23    22 S   O    _O2_    23     1.23088   122.07303  -151.38663
   24    20 S   CT   _CB2    32     1.53413   111.03859   127.42381
   25    24 S   HC   HB21    33     1.09422   109.64821    62.33462
   26    24 S   HC   HB22    34     1.09522   110.63034  -179.43977
   27    22 S   N    _N3_    24     1.38267   113.92727    36.08460
   28    27 S   H    _HN3    25     1.01569   119.57414    -3.56233
   29    24 S   S    _SG2    35     1.82834   110.95817   -59.89662
   30    27 S   CT   _CA3    26     1.45282   123.21588   177.05583
   31    30 S   HC   HA31    27     1.09551   107.49988   -64.55548
   32    30 S   HC   HA32    28     1.09557   107.99144    51.87306
   33    29 S   CT   _C17    36     1.84761   100.09956   154.09467
   34    33 S   HC   _H4_    37     1.09868   107.05009    48.08192
   35    30 S   CO3  _C3_    29     1.52960   114.10501   173.85331
   36    35 S   O2Z  _O31    30     1.26376   116.08223    -1.51090
   37    35 S   O2Z  _O32    31     1.26434   114.40327   178.56714
   38    33 S   CO4  _C18    38     1.51966   105.08564   162.39152
   39    38 S   O    _O35    39     1.23145   121.43100   -91.99452
   40    38 S   CM   _C13    40     1.48869   118.30667    84.32290
   41    40 S   CM   _C14    41     1.34352   121.23007    14.34539
   42    40 S   CO4  _C12    70     1.48999   121.09248  -162.35158
   43    42 S   O    _O33    71     1.22499   122.20786  -123.46658
   44    41 S   CO4  _C15    42     1.49808   121.18384     6.07757
   45    44 S   O    _O34    43     1.23470   119.26023   178.16123
   46    41 S   OS1  _O37    47     1.38633   121.70361  -177.59898
   47    42 S   CM   _C11    72     1.48879   114.24454    57.88281
   48    47 S   HC   _H15    73     1.08450   117.83339    -0.33102
   49    33 S   CT   _C16    44     1.54249   112.76965   -74.63607
   50    49 S   OM   _O36    45     1.32432   108.64644   168.34230
   51    49 S   HC   _H3_    46     1.09829   107.69055    37.86682
   52    46 S   CO1  _C19    48     1.44296   112.05323   103.36059
   53    52 S   HC   _H5_    49     1.09796   109.10275    60.90453
   54    47 S   CM   _C10    74     1.34038   119.92295   176.84210
   55    54 S   HC   _H14    75     1.08756   120.30653     0.47105
   56    52 S   CT   _C20    50     1.53496   106.68939   179.80119
   57    56 S   HC   _H6_    51     1.09698   109.75371    51.16788
   58    54 S   CA   _C9_    76     1.47215   124.05224  -177.32577
   59    56 S   CT   _C21    52     1.53103   111.86476   173.18664
   60    59 S   HC   _H7_    53     1.09523   110.19996    75.59637
   61    56 S   OH5  _O42    68     1.42986   109.87790   -65.26274
   62    61 S   HO   _H21    69     0.97319   108.00187   -60.28197
   63    58 S   CA   _C4_    77     1.40332   122.77077   -31.21234
   64    63 S   HA   _H10    78     1.08733   121.08687     0.37742
   65    59 S   CT   _C22    54     1.53186   111.56306   -47.47046
   66    65 S   HC   _H8_    55     1.09714   108.97271   -71.60905
   67    59 S   OH5  _O41    66     1.43081   109.44659  -168.82321
   68    67 S   HO   _H20    67     0.97218   108.09267    61.51633
   69    63 S   CA   _C5_    79     1.39706   120.62977  -179.09756
   70    69 S   HA   _H11    80     1.08638   119.80361  -179.80719
   71    65 S   CT   _C23    56     1.53122   110.62154    49.38487
   72    71 S   HC   _H9_    57     1.09743   111.29641    63.34150
   73    65 S   OH5  _O40    64     1.42525   109.84404   171.61623
   74    73 S   HO   _H19    65     0.97671   108.00738   -58.28289
   75    69 S   CA   _C6_    81     1.39076   119.72188     0.50163
   76    52 S   OS1  _O38    58     1.43044   111.30022   -60.48365
   77    71 S   CT   _C24    59     1.52932   111.67451  -175.59033
   78    77 S   HC   _H16    60     1.09493   111.06253    67.91947
   79    77 S   HC   _H17    61     1.09394   111.50246   -54.50851
   80    75 S   CA   _C7_    82     1.39147   120.65158     0.22985
   81    80 S   HA   _H12    83     1.08602   121.01531   179.68596
   82    75 S   OH   _O43    86     1.36592   118.23570   179.98022
   83    82 S   HO   _H22    87     0.97240   108.58374  -179.91607
   84    77 S   OH5  _O39    62     1.42486   108.98113  -173.47397
   85    84 S   HO   _H18    63     0.97225   107.12194  -179.40719
   86    58 S   CA   _C8_    84     1.40383   118.53778   150.90230
   87    86 S   HA   _H13    85     1.08819   120.53859    -1.27993
  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
  11   7   2   1   1  11   4  11  13   8   3   6   4   9   6   3
   2   1   1  13   6   8   3  12   7   9  13   7   4   1   8   4
  12   7   3   1   7   3   9   6   3   1   6   4   4   3   2   5
   3   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    49    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    49    50    51    42  
   38    39    40    44    49    50    51  
   36    37  
   37  
    0  
   39    40    41    44    49    50    51    46    42    43    47  
   40    41    49    42  
   41    44    45    49    46    52    42    43    47    48    54  
   44    45    49    50    51    46    52    53    56    76    42    43    47  
   43    47    48    54    55    58    44    46  
   47    48    54  
   45    49    50    51    46    52  
   49    50    51    46  
   52    53    56    57    59    71    76    61    49  
   48    54    55    58    63    86  
   54    55    58  
   50    51  
   51  
    0  
   53    56    57    59    60    65    71    72    76    77    67    61    62  
   56    57    59    71    76    61  
   55    58    63    64    69    80    86    87  
   58    63    86  
   57    59    60    65    66    71    76    73    67    68    61    62  
   59    60    65    76    67    61    62  
   63    64    69    70    75    80    81    86    87  
   60    65    66    71    72    76    77    73    74    67    68    61    62  
   65    66    71    73    67    68    61  
   62    65    67    76  
    0  
   64    69    70    75    80    86    87    82  
   69    70    75    86  
   66    71    72    76    77    78    79    84    73    74    67    68  
   71    72    76    77    73    74    67  
   68    71    73  
    0  
   70    75    80    81    86    82    83  
   75    80    82  
   72    76    77    78    79    84    85    73    74  
   76    77    78    79    84    73  
   74    76    77  
    0  
   80    81    86    87    82    83  
   77    78    79    84  
   78    79    84    85  
   79    84    85  
   84    85  
   81    86    87    82    83  
   86    87    82  
   83    86  
    0  
   85  
    0  
   87  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    42   320.000  1.462
   41    44   320.000  1.462
   41    46   440.000  1.360
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   570.000  1.307
   49    51   340.000  1.090
   46    52   370.000  1.399
   52    53   360.000  1.097
   52    56   255.000  1.525
   52    76   370.000  1.399
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    61   355.000  1.421
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   355.000  1.421
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    73   355.000  1.421
   71    72   340.000  1.090
   71    76   335.000  1.422
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   355.000  1.421
   84    85   580.000  0.967
   73    74   580.000  0.967
   67    68   580.000  0.967
   61    62   580.000  0.967
   42    43   570.000  1.229
   42    47   320.000  1.462
   47    48   340.000  1.080
   47    54   549.000  1.340
   54    55   340.000  1.080
   54    58   320.000  1.460
   58    63   469.000  1.400
   58    86   469.000  1.400
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    80   469.000  1.400
   75    82   450.000  1.364
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   367.000  1.080
   82    83   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    49    44    63.00000  111.10000
   33    49    50    50.00000  109.50000
   33    49    51    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    42    65.00000  115.30000
   40    38    39    80.00000  123.72100
   40    41    44    65.00000  118.96000
   40    41    46    80.00000  120.01400
   40    42    43    80.00000  123.72100
   40    42    47    65.00000  118.65900
   41    44    45    80.00000  123.72100
   41    44    49    65.00000  118.62400
   41    46    52    90.00000  111.18400
   44    49    50    90.00000  108.74100
   44    49    51    35.00000  109.50000
   49    33    34    37.50000  110.70000
   49    33    38    63.00000  111.10000
   49    44    45    80.00000  120.40000
   51    49    50    45.00000  125.66300
   46    41    44    85.00000  116.28000
   46    52    53    60.00000  105.75400
   46    52    56    90.00000  109.70700
   46    52    76   110.00000  113.16000
   52    56    57    45.00000  109.54000
   52    56    59    70.00000  111.10000
   52    56    61    90.00000  109.42000
   52    76    71    90.00000  112.10700
   56    52    53    45.00000  111.65000
   56    59    60    37.50000  110.70000
   56    59    65    58.35000  112.70000
   56    59    67    90.00000  111.45300
   56    61    62    65.00000  108.53500
   59    56    57    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    71    58.35000  112.70000
   59    65    73    90.00000  111.45300
   59    67    68    65.00000  108.53500
   65    59    60    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    76    95.00000  107.88500
   65    71    77    58.35000  112.70000
   65    73    74    65.00000  108.53500
   71    65    66    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    84    90.00000  111.45300
   76    52    53    60.00000  105.75400
   76    52    56    90.00000  109.70700
   76    71    72    55.00000  108.98800
   77    71    72    37.50000  110.70000
   77    71    76    95.00000  107.88500
   77    84    85    65.00000  108.53500
   79    77    78    33.00000  107.80000
   84    77    78    60.00000  109.39000
   84    77    79    60.00000  109.39000
   73    65    66    60.00000  109.39000
   73    65    71    90.00000  111.45300
   67    59    60    60.00000  109.39000
   67    59    65    90.00000  111.45300
   61    56    57    60.00000  109.39000
   61    56    59    90.00000  111.45300
   42    40    41    65.00000  118.96000
   42    47    48    40.00000  117.72500
   42    47    54    65.00000  118.96000
   47    42    43    80.00000  123.72100
   47    54    55    35.00000  120.00000
   47    54    58    60.00000  123.20500
   54    47    48    35.00000  120.00000
   54    58    63    60.00000  120.93500
   54    58    86    60.00000  120.93500
   58    54    55    40.00000  117.26300
   58    63    64    35.00000  120.00000
   58    63    69    63.00000  120.00000
   58    86    80    63.00000  120.00000
   58    86    87    35.00000  120.00000
   63    69    70    35.00000  120.00000
   63    69    75    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    75    80    63.00000  120.00000
   69    75    82    70.00000  120.00000
   75    69    70    35.00000  120.00000
   75    80    81    35.00000  120.00000
   75    80    86    63.00000  120.00000
   75    82    83    35.00000  113.00000
   80    86    87    35.00000  120.00000
   86    58    63    63.00000  120.00000
   86    80    81    35.00000  120.00000
   82    75    80    70.00000  120.00000
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   0.32350  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    42   1.50000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    44  -0.11250  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    51   0.15000  1.0 3.0
   38    33    49    44   0.11950  1.0 1.0
   38    33    49    44   0.20300 -1.0 2.0
   38    33    49    44  -0.70800  1.0 3.0
   38    33    49    50  -0.09450  1.0 1.0
   38    33    49    50  -1.12950 -1.0 2.0
   38    33    49    50   0.54000  1.0 3.0
   38    33    49    51  -0.11250  1.0 3.0
   38    40   -41    44   7.00000 -1.0 2.0
   38    40    41    46   7.00000 -1.0 2.0
   38    40    42    43   2.50000 -1.0 2.0
   38    40    42    47   1.50000 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    42   2.50000 -1.0 2.0
   40    41    44    45   1.00000 -1.0 2.0
   40    41    44    49  -0.33500  1.0 1.0
   40    41    44    49   1.06600 -1.0 2.0
   40    41    44    49  -0.14000  1.0 3.0
   40    41    46    52  -2.26850  1.0 1.0
   40    41    46    52   3.39050 -1.0 2.0
   40    42    47    48   0.93700 -1.0 2.0
   40    42    47    54  -1.18350  1.0 1.0
   40    42    47    54   1.45950 -1.0 2.0
   41    40    42    43   1.00000 -1.0 2.0
   41    40    42    47  -1.18350  1.0 1.0
   41    40    42    47   1.45950 -1.0 2.0
   41    44   -49    33   0.65300  1.0 1.0
   41    44   -49    33  -0.03850 -1.0 2.0
   41    44   -49    33   0.33900  1.0 3.0
   41    44    49    50   0.65300  1.0 1.0
   41    44    49    50  -0.03850 -1.0 2.0
   41    44    49    50   0.33900  1.0 3.0
   41    44    49    51   0.00000  1.0 1.0
   41    46    52    53   0.08050  1.0 3.0
   41    46    52    56  -0.46850  1.0 1.0
   41    46    52    56   0.09300 -1.0 2.0
   41    46    52    56  -0.12850  1.0 3.0
   41    46    52    76  -0.48150  1.0 1.0
   41    46    52    76   0.09250 -1.0 2.0
   41    46    52    76  -0.12850  1.0 3.0
   44    41    46    52   0.15100 -1.0 2.0
   45    44    49    33   0.30150 -1.0 2.0
   45    44    49    50   0.30150 -1.0 2.0
   45    44    49    51   0.00000  1.0 1.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.65300  1.0 1.0
   49    33   -38    40  -0.03850 -1.0 2.0
   49    33   -38    40   0.33900  1.0 3.0
   46    41    44    45  -0.11900  1.0 1.0
   46    41    44    45   0.76850 -1.0 2.0
   46    41    44    45   0.14100  1.0 3.0
   46    41    44    49   0.32450 -1.0 2.0
   46    41    44    49   0.17400  1.0 3.0
   46    52    56    57   0.23400  1.0 3.0
   46    52    56    59   0.62750  1.0 1.0
   46    52    56    59  -0.30950 -1.0 2.0
   46    52    56    59   0.27300  1.0 3.0
   46    52    56    61   1.51850  1.0 1.0
   46    52    76    71  -0.70400  1.0 1.0
   46    52    76    71  -0.90350 -1.0 2.0
   52    56    59    60   0.15000  1.0 3.0
   52    56    59    65   0.56750  1.0 1.0
   52    56    59    65  -0.07550 -1.0 2.0
   52    56    59    65   0.20000  1.0 3.0
   52    56    59    67  -0.47750  1.0 1.0
   52    56    61    62   0.29150  1.0 1.0
   52    56    61    62  -0.28350 -1.0 2.0
   52    56    61    62   0.43600  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    59   0.15000  1.0 3.0
   53    52    56    61   0.23400  1.0 3.0
   53    52    76    71   0.37050  1.0 3.0
   56    52    76    71   0.06250  1.0 1.0
   56    52    76    71  -0.01100 -1.0 2.0
   56    52    76    71   0.28050  1.0 3.0
   56    59    65    66   0.15000  1.0 3.0
   56    59   -65    71   0.56750  1.0 1.0
   56    59   -65    71  -0.07550 -1.0 2.0
   56    59   -65    71   0.20000  1.0 3.0
   56    59    65    73  -0.47750  1.0 1.0
   56    59    67    68   0.29150  1.0 1.0
   56    59    67    68  -0.28350 -1.0 2.0
   56    59    67    68   0.43600  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    65   0.15000  1.0 3.0
   57    56    59    67   0.23400  1.0 3.0
   57    56    61    62   0.19450  1.0 3.0
   59    56    61    62   0.29150  1.0 1.0
   59    56    61    62  -0.28350 -1.0 2.0
   59    56    61    62   0.43600  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    76   0.62750  1.0 1.0
   59    65    71    76  -0.30950 -1.0 2.0
   59    65    71    76   0.27300  1.0 3.0
   59    65    71    77   0.56750  1.0 1.0
   59    65    71    77  -0.07550 -1.0 2.0
   59    65    71    77   0.20000  1.0 3.0
   59    65    73    74   0.29150  1.0 1.0
   59    65    73    74  -0.28350 -1.0 2.0
   59    65    73    74   0.43600  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   60    59    65    73   0.23400  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    59    67    68   0.29150  1.0 1.0
   65    59    67    68  -0.28350 -1.0 2.0
   65    59    67    68   0.43600  1.0 3.0
   65    71   -76    52   0.06250  1.0 1.0
   65    71   -76    52  -0.01100 -1.0 2.0
   65    71   -76    52   0.28050  1.0 3.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    84  -0.47750  1.0 1.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    76   0.23400  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   71    65    73    74   0.29150  1.0 1.0
   71    65    73    74  -0.28350 -1.0 2.0
   71    65    73    74   0.43600  1.0 3.0
   71    77    84    85   0.29150  1.0 1.0
   71    77    84    85  -0.28350 -1.0 2.0
   71    77    84    85   0.43600  1.0 3.0
   72    71    76    52   0.37050  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    84   0.23400  1.0 3.0
   76    52    56    57   0.23400  1.0 3.0
   76    52   -56    59   0.62750  1.0 1.0
   76    52   -56    59  -0.30950 -1.0 2.0
   76    52   -56    59   0.27300  1.0 3.0
   76    52    56    61   1.51850  1.0 1.0
   76    71    77    78   0.23400  1.0 3.0
   76    71    77    79   0.23400  1.0 3.0
   76    71    77    84   1.51850  1.0 1.0
   77    71    76    52   0.06250  1.0 1.0
   77    71    76    52  -0.01100 -1.0 2.0
   77    71    76    52   0.28050  1.0 3.0
   78    77    84    85   0.19450  1.0 3.0
   79    77    84    85   0.19450  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    76   1.51850  1.0 1.0
   73    65    71    77  -0.47750  1.0 1.0
   67    59    65    66   0.23400  1.0 3.0
   67    59    65    71  -0.47750  1.0 1.0
   67    59    65    73   3.77950  1.0 1.0
   61    56    59    60   0.23400  1.0 3.0
   61    56    59    65  -0.47750  1.0 1.0
   61    56    59    67   3.77950  1.0 1.0
   42    40    41    44   7.00000 -1.0 2.0
   42    40    41    46   7.00000 -1.0 2.0
   42    47    54    55   7.00000 -1.0 2.0
   42    47    54    58   7.00000 -1.0 2.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    54   1.00000 -1.0 2.0
   47    54    58    63   0.15800  1.0 1.0
   47    54    58    63   1.85350 -1.0 2.0
   47    54    58    63  -0.48700  1.0 3.0
   47    54    58    86   0.15800  1.0 1.0
   47    54    58    86   1.85350 -1.0 2.0
   47    54    58    86  -0.48700  1.0 3.0
   48    47    54    55   7.00000 -1.0 2.0
   48    47    54    58   7.00000 -1.0 2.0
   54    58    63    64   3.62500 -1.0 2.0
   54    58    63    69   3.62500 -1.0 2.0
   54    58    86    80   3.62500 -1.0 2.0
   54    58    86    87   3.62500 -1.0 2.0
   55    54    58    63   0.56550  1.0 3.0
   55    54    58    86   0.56550  1.0 3.0
   58    63    69    70   3.62500 -1.0 2.0
   58    63    69    75   3.62500 -1.0 2.0
   63    58    86    80   3.62500 -1.0 2.0
   63    58    86    87   3.62500 -1.0 2.0
   63    69   -75    80   3.62500 -1.0 2.0
   63    69    75    82   3.62500 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    75   3.62500 -1.0 2.0
   69    75    80    81   3.62500 -1.0 2.0
   69    75    80    86   3.62500 -1.0 2.0
   69    75    82    83   0.84100 -1.0 2.0
   70    69    75    80   3.62500 -1.0 2.0
   70    69    75    82   3.62500 -1.0 2.0
   75    80   -86    58   3.62500 -1.0 2.0
   75    80    86    87   3.62500 -1.0 2.0
   80    75    82    83   0.84100 -1.0 2.0
   81    80    86    58   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   86    58    63    64   3.62500 -1.0 2.0
   86    58   -63    69   3.62500 -1.0 2.0
   82    75    80    81   3.62500 -1.0 2.0
   82    75    80    86   3.62500 -1.0 2.0
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    40    38    39  10.50000 -1.0 2.0
   38    42    40    41   1.10000 -1.0 2.0
   44    46    41    40   1.10000 -1.0 2.0
   41    49    44    45  10.50000 -1.0 2.0
   40    47    42    43  10.50000 -1.0 2.0
   42    48    47    54  15.00000 -1.0 2.0
   58    55    54    47  15.00000 -1.0 2.0
   63    86    58    54   4.00000 -1.0 2.0
   69    64    63    58   1.10000 -1.0 2.0
   75    70    69    63   1.10000 -1.0 2.0
   80    82    75    69   4.00000 -1.0 2.0
   86    81    80    75   1.10000 -1.0 2.0
   80    87    86    58   1.10000 -1.0 2.0
END
