* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    248     464
    1     0 S   NP   _N1_     1    28.63912    96.59857   -20.67240
    2     1 S   H    _HN1     2     1.02800    97.18403  -114.42408
    3     1 S   H    _H1_     3     1.02947    72.90548    -7.37738
    4     1 S   H    _H2_     4     1.02831    41.50429   136.66332
    5     1 S   CT   _CA1     5     1.50114   146.44184    94.09372
    6     5 S   HC   _HA1     6     1.09546   105.21857    88.13843
    7     5 S   CO3  _C1_     7     1.53808   112.60728   -32.35327
    8     7 S   O2Z  _O11     8     1.26439   114.93148   -36.71704
    9     7 S   O2Z  _O12     9     1.26204   115.33895   142.91185
   10     5 S   CT   _CB1    10     1.53150   107.44406  -153.34691
   11    10 S   HC   HB11    11     1.09819   109.82676   -44.53526
   12    10 S   HC   HB12    12     1.09814   110.43872    72.39899
   13    10 S   CT   _CG1    13     1.52813   112.20146  -165.19710
   14    13 S   HC   HG11    14     1.09551   110.77687   -62.38350
   15    13 S   HC   HG12    15     1.09598   109.45647    56.78164
   16    13 S   C    _CD1    16     1.51712   112.59464   177.30601
   17    16 S   O    _OE1    17     1.22675   123.49079     8.31817
   18    16 S   N    _N2_    18     1.38596   111.25933  -172.13478
   19    18 S   H    _HN2    19     1.01445   118.70013     5.93382
   20    18 S   CT1  _CA2    20     1.46168   123.85483  -178.69464
   21    20 S   HC   _HA2    21     1.09689   109.32781     6.22091
   22    20 S   C    _C2_    22     1.53646   109.25140  -110.05936
   23    22 S   O    _O2_    23     1.23095   121.95879  -156.05408
   24    20 S   CT   _CB2    32     1.53511   110.99317   128.26958
   25    24 S   HC   HB21    33     1.09429   109.17798    59.55750
   26    24 S   HC   HB22    34     1.09505   110.70909   177.94939
   27    22 S   N    _N3_    24     1.38208   114.15132    30.55674
   28    27 S   H    _HN3    25     1.01563   119.53547    -2.51497
   29    24 S   S    _SG2    35     1.82891   111.65772   -62.04525
   30    27 S   CT   _CA3    26     1.45254   123.39390   178.25124
   31    30 S   HC   HA31    27     1.09540   107.56086   -64.88420
   32    30 S   HC   HA32    28     1.09558   107.96351    51.61792
   33    29 S   CT   _C17    36     1.85385    99.94638   161.63371
   34    33 S   HC   _H4_    37     1.09832   107.79320    43.43483
   35    30 S   CO3  _C3_    29     1.52980   113.96110   173.59880
   36    35 S   O2Z  _O31    30     1.26377   116.04054     1.75424
   37    35 S   O2Z  _O32    31     1.26422   114.41219  -178.25258
   38    33 S   CO4  _C18    38     1.51588   107.08516   -73.06974
   39    38 S   O    _O35    39     1.23028   121.79817   102.37611
   40    38 S   CM   _C13    40     1.49373   117.73214   -75.98422
   41    40 S   CM   _C14    41     1.34632   119.93542   -19.67858
   42    40 S   CO4  _C12    70     1.49280   121.11699   158.45335
   43    42 S   O    _O33    71     1.22463   122.59718   132.88547
   44    41 S   CO4  _C15    42     1.50615   121.00736    -5.48201
   45    44 S   O    _O34    43     1.23321   118.49794  -178.06205
   46    41 S   OS1  _O37    47     1.38320   123.26957   179.67615
   47    42 S   CM   _C11    72     1.48807   114.16941   -48.99498
   48    47 S   HC   _H15    73     1.08271   117.70647     3.69735
   49    33 S   CT   _C16    44     1.54803   116.68889   166.70371
   50    49 S   OM   _O36    45     1.32056   109.60170   -56.58705
   51    49 S   HC   _H3_    46     1.10315   105.81496   174.97508
   52    46 S   CO1  _C19    48     1.44273   113.11499   -83.94103
   53    52 S   HC   _H5_    49     1.09763   108.51979    66.25954
   54    47 S   CM   _C10    74     1.33975   120.76320  -173.48786
   55    54 S   HC   _H14    75     1.08699   120.84666    -0.04423
   56    52 S   CT   _C20    50     1.53553   106.44320  -175.49593
   57    56 S   HC   _H6_    51     1.09694   109.73724    52.43346
   58    54 S   CA   _C9_    76     1.47149   122.98893   176.95123
   59    56 S   CT   _C21    52     1.53037   111.87156   174.46870
   60    59 S   HC   _H7_    53     1.09577   110.17943    75.40551
   61    56 S   OH5  _O42    68     1.43011   109.92249   -63.99160
   62    61 S   HO   _H21    69     0.97290   108.08207   -59.84378
   63    58 S   CA   _C4_    77     1.40392   122.52091    36.90151
   64    63 S   HA   _H10    78     1.08745   121.03369     0.29074
   65    59 S   CT   _C22    54     1.53143   111.46485   -47.57225
   66    65 S   HC   _H8_    55     1.09702   109.09155   -71.36430
   67    59 S   OH5  _O41    66     1.43054   109.47042  -168.93815
   68    67 S   HO   _H20    67     0.97226   108.06534    61.75497
   69    63 S   CA   _C5_    79     1.39655   120.59201  -179.85463
   70    69 S   HA   _H11    80     1.08659   119.89335   179.32798
   71    65 S   CT   _C23    56     1.53122   110.46060    49.70190
   72    71 S   HC   _H9_    57     1.09714   111.08714    62.70837
   73    65 S   OH5  _O40    64     1.42555   109.73807   171.79302
   74    73 S   HO   _H19    65     0.97662   108.00273   -58.10374
   75    69 S   CA   _C6_    81     1.39090   119.65361    -0.80089
   76    52 S   OS1  _O38    58     1.42959   112.38493   -55.08263
   77    71 S   CT   _C24    59     1.52848   111.77328  -176.40435
   78    77 S   HC   _H16    60     1.09490   111.08728    70.75751
   79    77 S   HC   _H17    61     1.09382   111.65354   -51.89525
   80    75 S   CA   _C7_    82     1.39184   120.70839    -0.11869
   81    80 S   HA   _H12    83     1.08594   121.01127  -179.76677
   82    75 S   OH   _O43    86     1.36572   118.20433  -179.80021
   83    82 S   HO   _H22    87     0.97205   108.70419  -179.02381
   84    77 S   OH5  _O39    62     1.42392   108.74562  -170.58574
   85    84 S   HO   _H18    63     0.97208   107.31454  -177.14858
   86    58 S   CA   _C8_    84     1.40289   118.67979  -144.51014
   87    86 S   HA   _H13    85     1.08829   120.51287     0.88999
  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
