* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    152    246     457
    1     0 S   NP   _N1_     1    29.12252    98.52552   -19.91885
    2     1 S   H    _HN1     2     1.02791    87.93794   -98.28447
    3     1 S   H    _H1_     3     1.02948    65.98194    12.83283
    4     1 S   H    _H2_     4     1.02828    54.78494   148.08408
    5     1 S   CT   _CA1     5     1.50195   159.13150    97.39623
    6     5 S   HC   _HA1     6     1.09562   105.17458   102.23211
    7     5 S   CO3  _C1_     7     1.53773   112.04130   -18.00967
    8     7 S   O2Z  _O11     8     1.26458   115.07172   -47.15935
    9     7 S   O2Z  _O12     9     1.26175   115.05425   131.70889
   10     5 S   CT   _CB1    10     1.53064   107.32153  -139.75802
   11    10 S   HC   HB11    11     1.09838   109.48529   -46.31745
   12    10 S   HC   HB12    12     1.09815   110.45615    70.29775
   13    10 S   CT   _CG1    13     1.53042   112.74065  -167.15004
   14    13 S   HC   HG11    14     1.09410   110.86947   -61.43813
   15    13 S   HC   HG12    15     1.09669   109.80770    57.56344
   16    13 S   C    _CD1    16     1.51890   111.89468   177.36322
   17    16 S   O    _OE1    17     1.22789   123.15600    -2.25299
   18    16 S   N    _N2_    18     1.38580   111.97023   179.15884
   19    18 S   H    _HN2    19     1.01708   119.02299    -1.68679
   20    18 S   CT1  _CA2    20     1.46228   123.33597   175.39470
   21    20 S   HC   _HA2    21     1.09733   109.30123     7.23525
   22    20 S   C    _C2_    22     1.53696   109.09406  -108.23297
   23    22 S   O    _O2_    23     1.23110   122.17660  -150.72986
   24    20 S   CT   _CB2    32     1.53262   111.48949   129.28003
   25    24 S   HC   HB21    33     1.09342   109.48894    56.65253
   26    24 S   HC   HB22    34     1.09527   110.55213   174.37416
   27    22 S   N    _N3_    24     1.38322   114.00920    37.06501
   28    27 S   H    _HN3    25     1.01544   119.61048    -3.95958
   29    24 S   S    _SG2    35     1.83333   111.54266   -67.20924
   30    27 S   CT   _CA3    26     1.45269   123.14841   176.99254
   31    30 S   HC   HA31    27     1.09551   107.61969   -62.26992
   32    30 S   HC   HA32    28     1.09561   107.84501    54.12357
   33    29 S   CT   _C13    36     1.87826   101.23657   134.36178
   34    30 S   CO3  _C3_    29     1.52940   114.16619   176.13036
   35    34 S   O2Z  _O31    30     1.26364   116.12703     2.41962
   36    34 S   O2Z  _O32    31     1.26441   114.39326  -177.60036
   37    33 S   CM   _C18    37     1.51754   109.21463   -65.50457
   38    33 S   CO4  _C12    69     1.54666   108.24122   175.65174
   39    38 S   O    _O33    70     1.23164   123.41289    17.44216
   40    37 S   CMA  _C17    38     1.36220   124.46347   123.11165
   41    40 S   OM   _O41    39     1.26992   126.84143  -170.49428
   42    37 S   OS1  _O35    46     1.39880   114.77226   -47.48871
   43    38 S   CM   _C11    71     1.50055   116.99440  -165.51187
   44    43 S   HC   _H13    72     1.08318   117.45303   -11.29037
   45    40 S   CMA  _C16    40     1.52755   118.70436     7.07992
   46    45 S   OM   _O42    41     1.26882   115.66350   167.38882
   47    42 S   CO1  _C19    47     1.43954   114.04013   -98.00838
   48    47 S   HC   _H3_    48     1.09552   110.39277    31.29807
   49    43 S   CM   _C10    73     1.34069   120.31033   169.53356
   50    49 S   HC   _H12    74     1.08769   120.12457     0.37742
   51    45 S   CM   _C15    42     1.34789   119.24560   -12.37852
   52    51 S   HC   _H14    43     1.08719   120.70933  -178.42207
   53    47 S   CT   _C20    49     1.53604   107.00564   150.82411
   54    53 S   HC   _H4_    50     1.09378   109.81424    54.28122
   55    49 S   CA   _C9_    75     1.47316   124.53236   179.29724
   56    33 S   CO4  _C14    44     1.52552   106.00640    57.29025
   57    56 S   O    _O34    45     1.23218   122.79232    52.13426
   58    53 S   CT   _C21    51     1.52973   111.26505   175.73125
   59    58 S   HC   _H5_    52     1.09665   110.07551    74.21142
   60    53 S   OH5  _O40    67     1.42823   110.98459   -62.43060
   61    60 S   HO   _H20    68     0.97332   108.58805   -46.01360
   62    55 S   CA   _C4_    76     1.40346   122.92304    27.47561
   63    62 S   HA   _H8_    77     1.08731   121.18090    -0.73675
   64    58 S   CT   _C22    53     1.53204   111.62503   -48.72370
   65    64 S   HC   _H6_    54     1.09597   109.24253   -73.18205
   66    58 S   OH5  _O39    65     1.43073   109.57423  -169.98922
   67    66 S   HO   _H19    66     0.97639   107.87054    61.03871
   68    62 S   CA   _C5_    78     1.39732   120.67106   178.76742
   69    68 S   HA   _H9_    79     1.08640   119.76261   179.75292
   70    64 S   CT   _C23    55     1.53176   111.06002    48.28746
   71    70 S   HC   _H7_    56     1.09836   110.89372    65.71335
   72    64 S   OH5  _O38    63     1.42765   109.52700   170.14799
   73    72 S   HO   _H18    64     0.97235   108.04756   -58.56606
   74    68 S   CA   _C6_    80     1.39060   119.74279    -0.50937
   75    47 S   OS1  _O36    57     1.42934   111.40915   -90.08189
   76    70 S   CT   _C24    58     1.52997   111.36327  -173.51327
   77    76 S   HC   _H15    59     1.09523   110.93418    72.47181
   78    76 S   HC   _H16    60     1.09383   111.72165   -49.97566
   79    74 S   CA   _C7_    81     1.39129   120.63129    -0.18975
   80    79 S   HA   _H10    82     1.08603   121.01487  -179.69226
   81    74 S   OH   _O43    85     1.36584   118.24256  -179.95577
   82    81 S   HO   _H21    86     0.97240   108.60051   179.92087
   83    76 S   OH5  _O37    61     1.42483   109.05138  -168.73388
   84    83 S   HO   _H17    62     0.97198   107.09562  -171.81794
   85    55 S   CA   _C8_    83     1.40433   118.47427  -154.92274
   86    85 S   HA   _H11    84     1.08822   120.53317     1.50870
  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  10   5   4   3
  15   2   1   1  15  11   4   8   4  10   7   3   5   3  13   6
   8   3   3   2  12   7   9   1   1  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    51    56    57    42    38    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    45    51    52    56    57    42    47    38    39    43    44    49  
   35    36  
   36  
    0  
   40    41    45    46    51    56    57    42    47    48    53    75    38    39    43  
   39    43    44    49    50    55    40    42    51    56    57  
   43    44    49    56  
   41    45    46    51    52    56    42    47  
   45    46    51    42  
   47    48    53    54    58    70    75    60    45    56  
   44    49    50    55    62    85    56  
   49    50    55  
   46    51    52    56    57  
   51    52    56  
   48    53    54    58    59    64    70    71    75    76    66    60    61  
   53    54    58    70    75    60  
   50    55    62    63    68    79    85    86  
   55    62    85  
   52    56    57  
   56    57  
   54    58    59    64    65    70    75    72    66    67    60    61  
   58    59    64    75    66    60    61  
   62    63    68    69    74    79    80    85    86  
   57  
    0  
   59    64    65    70    71    75    76    72    73    66    67    60    61  
   64    65    70    72    66    67    60  
   61    64    66    75  
    0  
   63    68    69    74    79    85    86    81  
   68    69    74    85  
   65    70    71    75    76    77    78    83    72    73    66    67  
   70    71    75    76    72    73    66  
   67    70    72  
    0  
   69    74    79    80    85    81    82  
   74    79    81  
   71    75    76    77    78    83    84    72    73  
   75    76    77    78    83    72  
   73    75    76  
    0  
   79    80    85    86    81    82  
   76    77    78    83  
   77    78    83    84  
   78    83    84  
   83    84  
   80    85    86    81    82  
   85    86    81  
   82    85  
    0  
   84  
    0  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   317.000  1.522
   33    38   317.000  1.522
   37    40   465.000  1.376
   37    42   440.000  1.360
   40    41   745.000  1.250
   40    45   465.000  1.376
   45    46   745.000  1.250
   45    51   465.000  1.376
   51    52   340.000  1.080
   51    56   320.000  1.462
   56    57   570.000  1.229
   42    47   370.000  1.399
   47    48   360.000  1.097
   47    53   255.000  1.525
   47    75   370.000  1.399
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    60   355.000  1.421
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    66   355.000  1.421
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    72   355.000  1.421
   70    71   340.000  1.090
   70    75   335.000  1.422
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   355.000  1.421
   83    84   580.000  0.967
   72    73   580.000  0.967
   66    67   580.000  0.967
   60    61   580.000  0.967
   38    39   570.000  1.229
   38    43   320.000  1.462
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   340.000  1.080
   49    55   320.000  1.460
   55    62   469.000  1.400
   55    85   469.000  1.400
   62    63   367.000  1.080
   62    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    79   469.000  1.400
   74    81   450.000  1.364
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   81    82   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    75.00000  110.18000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  124.00000
   33    37    42    85.00000  112.85300
   33    56    51    65.00000  118.62400
   33    56    57    80.00000  120.40000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  118.62400
   37    40    41    65.00000  137.10300
   37    40    45    70.00000  117.34000
   37    42    47    90.00000  111.18400
   40    45    46    65.00000  137.10300
   40    45    51    70.00000  117.34000
   45    40    41    65.00000  137.10300
   45    51    52    40.00000  120.50800
   45    51    56    60.00000  125.92000
   51    45    46    65.00000  137.10300
   51    56    57    80.00000  123.72100
   56    33    37    70.00000  109.06800
   56    51    52    40.00000  117.72500
   42    37    40    80.00000  120.01400
   42    47    48    60.00000  105.75400
   42    47    53    90.00000  109.70700
   42    47    75   110.00000  113.16000
   47    53    54    45.00000  109.54000
   47    53    58    70.00000  111.10000
   47    53    60    90.00000  109.42000
   47    75    70    90.00000  112.10700
   53    47    48    45.00000  111.65000
   53    58    59    37.50000  110.70000
   53    58    64    58.35000  112.70000
   53    58    66    90.00000  111.45300
   53    60    61    65.00000  108.53500
   58    53    54    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    70    58.35000  112.70000
   58    64    72    90.00000  111.45300
   58    66    67    65.00000  108.53500
   64    58    59    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    75    95.00000  107.88500
   64    70    76    58.35000  112.70000
   64    72    73    65.00000  108.53500
   70    64    65    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    83    90.00000  111.45300
   75    47    48    60.00000  105.75400
   75    47    53    90.00000  109.70700
   75    70    71    55.00000  108.98800
   76    70    71    37.50000  110.70000
   76    70    75    95.00000  107.88500
   76    83    84    65.00000  108.53500
   78    76    77    33.00000  107.80000
   83    76    77    60.00000  109.39000
   83    76    78    60.00000  109.39000
   72    64    65    60.00000  109.39000
   72    64    70    90.00000  111.45300
   66    58    59    60.00000  109.39000
   66    58    64    90.00000  111.45300
   60    53    54    60.00000  109.39000
   60    53    58    90.00000  111.45300
   38    33    37    70.00000  109.06800
   38    33    56    75.00000  107.99600
   38    43    44    40.00000  117.72500
   38    43    49    65.00000  118.96000
   43    38    39    80.00000  123.72100
   43    49    50    35.00000  120.00000
   43    49    55    60.00000  123.20500
   49    43    44    35.00000  120.00000
   49    55    62    60.00000  120.93500
   49    55    85    60.00000  120.93500
   55    49    50    40.00000  117.26300
   55    62    63    35.00000  120.00000
   55    62    68    63.00000  120.00000
   55    85    79    63.00000  120.00000
   55    85    86    35.00000  120.00000
   62    68    69    35.00000  120.00000
   62    68    74    63.00000  120.00000
   68    62    63    35.00000  120.00000
   68    74    79    63.00000  120.00000
   68    74    81    70.00000  120.00000
   74    68    69    35.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    85    63.00000  120.00000
   74    81    82    35.00000  113.00000
   79    85    86    35.00000  120.00000
   85    55    62    63.00000  120.00000
   85    79    80    35.00000  120.00000
   81    74    79    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    56    51   0.65300  1.0 1.0
   29    33    56    51  -0.03850 -1.0 2.0
   29    33    56    51   0.33900  1.0 3.0
   29    33    56    57   0.30150 -1.0 2.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    45   7.00000 -1.0 2.0
   33    37    42    47   2.00000 -1.0 2.0
   33    38    43    44   0.04550  1.0 1.0
   33    38    43    44   0.83000 -1.0 2.0
   33    38    43    44  -0.04000  1.0 3.0
   33    38    43    49  -0.33500  1.0 1.0
   33    38    43    49   1.06600 -1.0 2.0
   33    38    43    49  -0.14000  1.0 3.0
   37    33    56    51   0.65300  1.0 1.0
   37    33    56    51  -0.03850 -1.0 2.0
   37    33    56    51   0.33900  1.0 3.0
   37    33    56    57   0.30150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    43   0.65300  1.0 1.0
   37    33    38    43  -0.03850 -1.0 2.0
   37    33    38    43   0.33900  1.0 3.0
   37    40    45    46   7.00000 -1.0 2.0
   37    40   -45    51   7.00000 -1.0 2.0
   37    42    47    48   0.08050  1.0 3.0
   37    42    47    53  -0.46850  1.0 1.0
   37    42    47    53   0.09300 -1.0 2.0
   37    42    47    53  -0.12850  1.0 3.0
   37    42    47    75  -0.48150  1.0 1.0
   37    42    47    75   0.09250 -1.0 2.0
   37    42    47    75  -0.12850  1.0 3.0
   40    37    42    47  -2.26850  1.0 1.0
   40    37    42    47   3.39050 -1.0 2.0
   40    45    51    52   7.00000 -1.0 2.0
   40    45    51    56   7.00000 -1.0 2.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    51   7.00000 -1.0 2.0
   45    51   -56    33  -0.33500  1.0 1.0
   45    51   -56    33   1.06600 -1.0 2.0
   45    51   -56    33  -0.14000  1.0 3.0
   45    51    56    57   1.00000 -1.0 2.0
   46    45    51    52   7.00000 -1.0 2.0
   46    45    51    56   7.00000 -1.0 2.0
   52    51    56    33   0.04550  1.0 1.0
   52    51    56    33   0.83000 -1.0 2.0
   52    51    56    33  -0.04000  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   56    33   -37    40  -0.51250  1.0 1.0
   56    33   -37    40  -0.88800 -1.0 2.0
   56    33   -37    40   0.08850  1.0 3.0
   56    33    37    42   0.09700  1.0 1.0
   56    33    37    42   0.15600 -1.0 2.0
   56    33    37    42  -0.50800  1.0 3.0
   56    33    38    39   0.30150 -1.0 2.0
   56    33    38    43   0.65300  1.0 1.0
   56    33    38    43  -0.03850 -1.0 2.0
   56    33    38    43   0.33900  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    45   7.00000 -1.0 2.0
   42    47    53    54   0.23400  1.0 3.0
   42    47    53    58   0.62750  1.0 1.0
   42    47    53    58  -0.30950 -1.0 2.0
   42    47    53    58   0.27300  1.0 3.0
   42    47    53    60   1.51850  1.0 1.0
   42    47    75    70  -0.70400  1.0 1.0
   42    47    75    70  -0.90350 -1.0 2.0
   47    53    58    59   0.15000  1.0 3.0
   47    53    58    64   0.56750  1.0 1.0
   47    53    58    64  -0.07550 -1.0 2.0
   47    53    58    64   0.20000  1.0 3.0
   47    53    58    66  -0.47750  1.0 1.0
   47    53    60    61   0.29150  1.0 1.0
   47    53    60    61  -0.28350 -1.0 2.0
   47    53    60    61   0.43600  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    58   0.15000  1.0 3.0
   48    47    53    60   0.23400  1.0 3.0
   48    47    75    70   0.37050  1.0 3.0
   53    47    75    70   0.06250  1.0 1.0
   53    47    75    70  -0.01100 -1.0 2.0
   53    47    75    70   0.28050  1.0 3.0
   53    58    64    65   0.15000  1.0 3.0
   53    58   -64    70   0.56750  1.0 1.0
   53    58   -64    70  -0.07550 -1.0 2.0
   53    58   -64    70   0.20000  1.0 3.0
   53    58    64    72  -0.47750  1.0 1.0
   53    58    66    67   0.29150  1.0 1.0
   53    58    66    67  -0.28350 -1.0 2.0
   53    58    66    67   0.43600  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    64   0.15000  1.0 3.0
   54    53    58    66   0.23400  1.0 3.0
   54    53    60    61   0.19450  1.0 3.0
   58    53    60    61   0.29150  1.0 1.0
   58    53    60    61  -0.28350 -1.0 2.0
   58    53    60    61   0.43600  1.0 3.0
   58    64    70    71   0.15000  1.0 3.0
   58    64    70    75   0.62750  1.0 1.0
   58    64    70    75  -0.30950 -1.0 2.0
   58    64    70    75   0.27300  1.0 3.0
   58    64    70    76   0.56750  1.0 1.0
   58    64    70    76  -0.07550 -1.0 2.0
   58    64    70    76   0.20000  1.0 3.0
   58    64    72    73   0.29150  1.0 1.0
   58    64    72    73  -0.28350 -1.0 2.0
   58    64    72    73   0.43600  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    70   0.15000  1.0 3.0
   59    58    64    72   0.23400  1.0 3.0
   59    58    66    67   0.19450  1.0 3.0
   64    58    66    67   0.29150  1.0 1.0
   64    58    66    67  -0.28350 -1.0 2.0
   64    58    66    67   0.43600  1.0 3.0
   64    70   -75    47   0.06250  1.0 1.0
   64    70   -75    47  -0.01100 -1.0 2.0
   64    70   -75    47   0.28050  1.0 3.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    83  -0.47750  1.0 1.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    75   0.23400  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   65    64    72    73   0.19450  1.0 3.0
   70    64    72    73   0.29150  1.0 1.0
   70    64    72    73  -0.28350 -1.0 2.0
   70    64    72    73   0.43600  1.0 3.0
   70    76    83    84   0.29150  1.0 1.0
   70    76    83    84  -0.28350 -1.0 2.0
   70    76    83    84   0.43600  1.0 3.0
   71    70    75    47   0.37050  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    83   0.23400  1.0 3.0
   75    47    53    54   0.23400  1.0 3.0
   75    47   -53    58   0.62750  1.0 1.0
   75    47   -53    58  -0.30950 -1.0 2.0
   75    47   -53    58   0.27300  1.0 3.0
   75    47    53    60   1.51850  1.0 1.0
   75    70    76    77   0.23400  1.0 3.0
   75    70    76    78   0.23400  1.0 3.0
   75    70    76    83   1.51850  1.0 1.0
   76    70    75    47   0.06250  1.0 1.0
   76    70    75    47  -0.01100 -1.0 2.0
   76    70    75    47   0.28050  1.0 3.0
   77    76    83    84   0.19450  1.0 3.0
   78    76    83    84   0.19450  1.0 3.0
   72    64    70    71   0.23400  1.0 3.0
   72    64    70    75   1.51850  1.0 1.0
   72    64    70    76  -0.47750  1.0 1.0
   66    58    64    65   0.23400  1.0 3.0
   66    58    64    70  -0.47750  1.0 1.0
   66    58    64    72   3.77950  1.0 1.0
   60    53    58    59   0.23400  1.0 3.0
   60    53    58    64  -0.47750  1.0 1.0
   60    53    58    66   3.77950  1.0 1.0
   38    33    37    40  -0.51250  1.0 1.0
   38    33    37    40  -0.88800 -1.0 2.0
   38    33    37    40   0.08850  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    56    51   0.65300  1.0 1.0
   38    33    56    51  -0.03850 -1.0 2.0
   38    33    56    51   0.33900  1.0 3.0
   38    33    56    57   0.30150 -1.0 2.0
   38    43    49    50   7.00000 -1.0 2.0
   38    43    49    55   7.00000 -1.0 2.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    49   1.00000 -1.0 2.0
   43    49    55    62   0.15800  1.0 1.0
   43    49    55    62   1.85350 -1.0 2.0
   43    49    55    62  -0.48700  1.0 3.0
   43    49    55    85   0.15800  1.0 1.0
   43    49    55    85   1.85350 -1.0 2.0
   43    49    55    85  -0.48700  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    55   7.00000 -1.0 2.0
   49    55    62    63   3.62500 -1.0 2.0
   49    55    62    68   3.62500 -1.0 2.0
   49    55    85    79   3.62500 -1.0 2.0
   49    55    85    86   3.62500 -1.0 2.0
   50    49    55    62   0.56550  1.0 3.0
   50    49    55    85   0.56550  1.0 3.0
   55    62    68    69   3.62500 -1.0 2.0
   55    62    68    74   3.62500 -1.0 2.0
   62    55    85    79   3.62500 -1.0 2.0
   62    55    85    86   3.62500 -1.0 2.0
   62    68   -74    79   3.62500 -1.0 2.0
   62    68    74    81   3.62500 -1.0 2.0
   63    62    68    69   3.62500 -1.0 2.0
   63    62    68    74   3.62500 -1.0 2.0
   68    74    79    80   3.62500 -1.0 2.0
   68    74    79    85   3.62500 -1.0 2.0
   68    74    81    82   0.84100 -1.0 2.0
   69    68    74    79   3.62500 -1.0 2.0
   69    68    74    81   3.62500 -1.0 2.0
   74    79   -85    55   3.62500 -1.0 2.0
   74    79    85    86   3.62500 -1.0 2.0
   79    74    81    82   0.84100 -1.0 2.0
   80    79    85    55   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   85    55    62    63   3.62500 -1.0 2.0
   85    55   -62    68   3.62500 -1.0 2.0
   81    74    79    80   3.62500 -1.0 2.0
   81    74    79    85   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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   45    41    40    37   1.10000 -1.0 2.0
   40    46    45    51   1.10000 -1.0 2.0
   56    52    51    45   1.10000 -1.0 2.0
   33    51    56    57  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   38    44    43    49  15.00000 -1.0 2.0
   55    50    49    43  15.00000 -1.0 2.0
   62    85    55    49   4.00000 -1.0 2.0
   68    63    62    55   1.10000 -1.0 2.0
   74    69    68    62   1.10000 -1.0 2.0
   79    81    74    68   4.00000 -1.0 2.0
   85    80    79    74   1.10000 -1.0 2.0
   79    86    85    55   1.10000 -1.0 2.0
END
