* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    162    247     480
    1     0 S   NP   _N1_     1    28.45621    95.91144   -21.57867
    2     1 S   H    _HN1     2     1.02964    79.99940    39.78010
    3     1 S   H    _H1_     3     1.02832    38.53273   174.13415
    4     1 S   H    _H2_     4     1.02777    91.60929   -68.55484
    5     1 S   CT   _CA1     5     1.50128   147.83531   152.31032
    6     5 S   HC   _HA1     6     1.09581   105.20677    73.47158
    7     5 S   CO3  _C1_     7     1.53770   112.42812   -46.63812
    8     7 S   O2Z  _O11     8     1.26352   115.00243   -43.15918
    9     7 S   O2Z  _O12     9     1.26248   114.91560   135.98595
   10     5 S   CT   _CB1    10     1.53098   107.40672  -168.70605
   11    10 S   HC   HB11    11     1.09824   109.20715   -51.52246
   12    10 S   HC   HB12    12     1.09819   110.45730    64.98696
   13    10 S   CT   _CG1    13     1.53003   112.71807  -172.68847
   14    13 S   HC   HG11    14     1.09600   110.38982   -65.40203
   15    13 S   HC   HG12    15     1.09658   109.99788    53.79923
   16    13 S   C    _CD1    16     1.51829   112.37396   174.02903
   17    16 S   O    _OE1    17     1.22724   123.28291    -2.98478
   18    16 S   N    _N2_    18     1.38654   111.61771   177.47834
   19    18 S   H    _HN2    19     1.01583   119.01018     0.59709
   20    18 S   CT1  _CA2    20     1.46177   123.36325   178.98432
   21    20 S   HC   _HA2    21     1.09749   109.37569    -8.07351
   22    20 S   C    _C2_    22     1.53519   108.34494  -123.52788
   23    22 S   O    _O2_    23     1.23023   122.19334  -146.07607
   24    20 S   CT   _CB2    32     1.53628   111.71793   114.01947
   25    24 S   HC   HB21    33     1.09370   109.46091    55.83438
   26    24 S   HC   HB22    34     1.09321   109.26349   174.54353
   27    22 S   N    _N3_    24     1.38491   113.42598    41.29343
   28    27 S   H    _HN3    25     1.01520   118.91053    -0.90741
   29    24 S   S    _SG2    35     1.82943   111.20124   -65.64490
   30    27 S   CT   _CA3    26     1.45470   123.64048   175.10007
   31    30 S   HC   HA31    27     1.09510   109.46301    19.61418
   32    30 S   HC   HA32    28     1.09504   107.06313   136.66534
   33    29 S   CT   _C9_    36     1.86557   103.06746   179.00771
   34    30 S   CO3  _C3_    29     1.52923   112.96816  -104.01435
   35    34 S   O2Z  _O31    30     1.26416   115.35933   -45.00678
   36    34 S   O2Z  _O32    31     1.26347   115.00688   135.87009
   37    33 S   CT   _C8_    37     1.57606   112.73616    49.68206
   38    37 S   HC   _H13    38     1.09876   108.25260   -68.05196
   39    37 S   HC   _H14    39     1.09975   108.22069   179.86152
   40    33 S   CT   _C10    59     1.59031   110.26765   174.37841
   41    40 S   HC   _H3_    60     1.09683   105.62132  -158.43800
   42    33 S   CT   _C23    85     1.56081   106.67380   -66.92010
   43    42 S   HC   _H27    86     1.09417   111.80571    65.68802
   44    42 S   HC   _H28    87     1.09623   111.85575   -55.22491
   45    37 S   CT   _C7_    40     1.54136   121.26460    55.12063
   46    45 S   HC   _H11    41     1.09282   109.49697   -54.62418
   47    45 S   HC   _H12    42     1.09722   107.81719  -170.21799
   48    40 S   OH   _O38    61     1.43509   110.38723    88.42896
   49    48 S   HO   _H26    62     0.97187   107.83076   163.79529
   50    42 S   OH   _O39    88     1.42722   110.72883  -175.70600
   51    50 S   HO   _H29    89     0.97248   106.94895   176.96056
   52    45 S   CM   _C6_    43     1.50005   113.08249    71.37246
   53    52 S   HC   _H10    44     1.08908   115.14634    38.12666
   54    52 S   CM   _C5_    45     1.34737   126.14089  -133.82825
   55    54 S   CT   _C14    46     1.51492   119.50210   164.15452
   56    55 S   HC   _H15    47     1.09801   109.87211    29.87992
   57    55 S   HC   _H16    48     1.09685   108.52010   144.93313
   58    54 S   CT   _C4_    81     1.50466   124.07976   -11.55723
   59    58 S   HC   _H7_    82     1.09326   111.02866    99.34715
   60    58 S   HC   _H8_    83     1.09394   112.36978   -22.03791
   61    58 S   HC   _H9_    84     1.09525   110.33071  -140.41427
   62    55 S   CT   _C13    49     1.55376   114.29282   -92.15843
   63    62 S   HC   _H6_    50     1.09912   106.94250   179.26140
   64    62 S   CT   _C12    51     1.55721   113.90378    60.48776
   65    64 S   HC   _H5_    52     1.09643   108.04740    48.16834
   66    62 S   OS   _O33    66     1.44510   110.30582   -62.78465
   67    64 S   CM   _C20    53     1.49310   111.16617   169.27938
   68    66 S   CO4  _C15    67     1.35880   118.14157   -81.46217
   69    68 S   O    _O34    68     1.22203   126.03694     0.23070
   70    67 S   CO4  _C22    54     1.47332   109.76690   103.23604
   71    70 S   O    _O36    55     1.21734   126.98222  -169.98274
   72    67 S   CM   _C21    63     1.33571   128.10910   -78.93439
   73    72 S   HC   _H24    64     1.08498   120.80212     1.24364
   74    72 S   HC   _H25    65     1.08518   121.72777  -178.85226
   75    68 S   CM   _C16    69     1.49538   109.12980   179.71129
   76    70 S   OS   _O37    56     1.36038   107.07151     9.50886
   77    75 S   CM   _C17    70     1.34645   115.87112  -161.64469
   78    77 S   HC   _H17    71     1.08968   119.14585     0.61070
   79    75 S   CT   _C19    77     1.50053   118.01704    19.41596
   80    79 S   HC   _H21    78     1.09501   110.45891   -70.88282
   81    79 S   HC   _H22    79     1.09204   113.26529   168.24485
   82    79 S   HC   _H23    80     1.09548   110.33152    49.09259
   83    64 S   CT   _C11    57     1.54105   115.25648   -77.45942
   84    83 S   HC   _H4_    58     1.08608   110.68531    15.96504
   85    77 S   CT   _C18    72     1.49564   127.56782   179.25454
   86    85 S   HC   _H18    73     1.09123   113.86931    -0.95224
   87    85 S   HC   _H19    74     1.09482   109.37623  -122.07690
   88    85 S   OH   _O35    75     1.42090   108.40055   119.88907
   89    88 S   HO   _H20    76     0.97230   107.03314   178.03069
  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  13   5   4   3
  20   2   1   1  16   7   6  16   7   7   3   2   7   4   3   5
   1   1   1  10   3  11  14   6   5   4   2   1   1  13   6  12
   7   7   8   9   3   7   3   4   1   1  10   2  10   5   4   2
   1   1   1   1   4   3   2   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    83    40    41    48    42    43    44    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    47    52    64    76    83    84    40    41    48    49    42    43    44    50    51  
   35    36  
   36  
    0  
   38    39    45    46    47    52    53    54    83    40    41    48    42    43    44    50  
   39    45    46    47    52    40    42  
   45    46    47    52    40    42  
   41    48    49    42    43    44    50    45    62    64    65    67    70    76    83    84  
   48    49    42    64    76    83    84  
   43    44    50    51    45    48    83  
   44    50    51  
   50    51  
   46    47    52    53    54    55    58  
   47    52    53    54  
   52    53    54  
   49    64    76    83    84  
   83  
   51  
    0  
   53    54    55    56    57    62    58    59    60    61  
   54    55    58  
   55    56    57    62    63    64    66    58    59    60    61  
   56    57    62    63    64    65    67    83    66    68    58    59    60    61  
   57    62    63    64    66    58  
   62    63    64    66    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    67    70    76    83    84    72    66    68    69    75  
   64    65    67    83    66    68  
   65    67    70    71    76    83    84    72    73    74    66    68  
   67    70    76    83    84    72    66  
   68    69    75    77    79    67    83  
   70    71    76    83    84    72    73    74  
   69    75    77    78    85    79    80    81    82  
   75    77    79  
   71    76    83    84    72    73    74  
   76    83    72  
   73    74    76    83  
   74  
    0  
   77    78    85    86    87    88    79    80    81    82  
   83    84  
   78    85    86    87    88    89    79    80    81    82  
   85    86    87    88    79  
   80    81    82    85  
   81    82  
   82  
    0  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   317.000  1.510
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   317.000  1.510
   54    58   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   320.000  1.410
   64    65   340.000  1.090
   64    67   317.000  1.510
   64    83   268.000  1.529
   67    70   320.000  1.462
   67    72   549.000  1.340
   70    71   570.000  1.229
   70    76   214.000  1.327
   76    83   320.000  1.410
   83    84   340.000  1.090
   83    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   72    73   340.000  1.080
   72    74   340.000  1.080
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    75   320.000  1.462
   75    77   549.000  1.340
   75    79   317.000  1.510
   77    78   340.000  1.080
   77    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    50   320.000  1.410
   50    51   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    83    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    50    50.00000  109.50000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    52    70.00000  112.02700
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    52    53    35.00000  117.00000
   45    52    54    70.00000  124.00000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    54    55    70.00000  124.00000
   52    54    58    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    62    70.00000  112.02700
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   55    62    63    37.50000  110.70000
   55    62    64    58.35000  112.70000
   55    62    66    50.00000  109.50000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    67    70.00000  112.02700
   62    64    83    58.35000  112.70000
   62    66    68    83.00000  116.90000
   64    62    63    37.50000  110.70000
   64    67    70    65.00000  116.34900
   64    67    72    70.00000  124.00000
   64    83    76    50.00000  109.50000
   64    83    84    37.50000  110.70000
   64    83    40    58.35000  112.70000
   67    64    65    35.00000  109.50000
   67    70    71    80.00000  123.72100
   67    70    76    90.00000  111.29400
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   70    76    83    83.00000  116.90000
   76    70    71    83.00000  123.40000
   76    83    84    35.00000  109.50000
   76    83    40    50.00000  109.50000
   83    64    65    37.50000  110.70000
   83    64    67    70.00000  112.02700
   83    40    41    37.50000  110.70000
   83    40    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    83    84    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   72    67    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   66    62    63    35.00000  109.50000
   66    62    64    50.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    75    90.00000  111.29400
   68    75    77    65.00000  118.96000
   68    75    79    65.00000  116.34900
   75    68    69    80.00000  123.72100
   75    77    78    35.00000  120.00000
   75    77    85    70.00000  124.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   77    85    86    35.00000  109.50000
   77    85    87    35.00000  109.50000
   77    85    88    90.00000  110.39200
   85    77    78    35.00000  117.00000
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   79    75    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   58    54    55    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    50    51    55.00000  108.50000
   44    42    43    33.00000  107.80000
   50    42    43    35.00000  109.50000
   50    42    44    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    40    83   0.44750  1.0 1.0
   29    33    40    83  -0.17800 -1.0 2.0
   29    33    40    83   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    50   0.56750  1.0 1.0
   29    33    42    50  -0.07550 -1.0 2.0
   29    33    42    50   0.20000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    52   0.34400  1.0 1.0
   33    37    45    52   0.09450 -1.0 2.0
   33    37    45    52   0.11100  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   33    42    50    51  -0.11600  1.0 1.0
   33    42    50    51  -0.09450 -1.0 2.0
   33    42    50    51   0.21250  1.0 3.0
   37    33    40    83   0.56750  1.0 1.0
   37    33    40    83  -0.07550 -1.0 2.0
   37    33    40    83   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    50   0.86500  1.0 1.0
   37    33    42    50  -0.17500 -1.0 2.0
   37    33    42    50   0.20800  1.0 3.0
   37    45    52    53   0.00000  1.0 1.0
   37    45    52    54   0.09850  1.0 1.0
   37    45    52    54   0.15250 -1.0 2.0
   37    45    52    54  -0.50650  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    52   0.15000  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    47   0.15000  1.0 3.0
   39    37    45    52   0.15000  1.0 3.0
   45    52    54    55   7.00000 -1.0 2.0
   45    52    54    58   7.00000 -1.0 2.0
   46    45    52    53   0.33100  1.0 3.0
   46    45    52    54   0.00000  1.0 1.0
   47    45    52    53   0.33100  1.0 3.0
   47    45    52    54   0.00000  1.0 1.0
   52    54    55    56   0.00000  1.0 1.0
   52    54    55    57   0.00000  1.0 1.0
   52    54    55    62   0.09850  1.0 1.0
   52    54    55    62   0.15250 -1.0 2.0
   52    54    55    62  -0.50650  1.0 3.0
   52    54    58    59   0.00000  1.0 1.0
   52    54    58    60   0.00000  1.0 1.0
   52    54    58    61   0.00000  1.0 1.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    58   7.00000 -1.0 2.0
   54    55    62    63   0.15000  1.0 3.0
   54    55    62    64   0.34400  1.0 1.0
   54    55    62    64   0.09450 -1.0 2.0
   54    55    62    64   0.11100  1.0 3.0
   54    55    62    66   0.61850  1.0 1.0
   54    55    62    66  -0.22750 -1.0 2.0
   54    55    62    66   0.15300  1.0 3.0
   55    54    58    59   0.34800  1.0 3.0
   55    54    58    60   0.34800  1.0 3.0
   55    54    58    61   0.34800  1.0 3.0
   55    62    64    65   0.15000  1.0 3.0
   55    62    64    67   0.34400  1.0 1.0
   55    62    64    67   0.09450 -1.0 2.0
   55    62    64    67   0.11100  1.0 3.0
   55    62    64    83   0.56750  1.0 1.0
   55    62    64    83  -0.07550 -1.0 2.0
   55    62    64    83   0.20000  1.0 3.0
   55    62    66    68  -0.25900  1.0 1.0
   55    62    66    68  -0.47000 -1.0 2.0
   55    62    66    68   0.11750  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    66   0.23400  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    66   0.23400  1.0 3.0
   62    64    67    70   0.09700  1.0 1.0
   62    64    67    70   0.15600 -1.0 2.0
   62    64    67    70  -0.50800  1.0 3.0
   62    64    67    72   0.09850  1.0 1.0
   62    64    67    72   0.15250 -1.0 2.0
   62    64    67    72  -0.50650  1.0 3.0
   62    64    83    76   0.62750  1.0 1.0
   62    64    83    76  -0.30950 -1.0 2.0
   62    64    83    76   0.27300  1.0 3.0
   62    64    83    84   0.15000  1.0 3.0
   62    64    83    40   0.56750  1.0 1.0
   62    64    83    40  -0.07550 -1.0 2.0
   62    64    83    40   0.20000  1.0 3.0
   62    66    68    69   3.00000 -1.0 2.0
   62    66    68    75   2.00000 -1.0 2.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    64    83   0.15000  1.0 3.0
   63    62    66    68   0.08050  1.0 3.0
   64    62    66    68  -0.25900  1.0 1.0
   64    62    66    68  -0.47000 -1.0 2.0
   64    62    66    68   0.11750  1.0 3.0
   64    67    70    71  -0.64400  1.0 1.0
   64    67    70    71   0.26850 -1.0 2.0
   64    67   -70    76  -0.15000  1.0 1.0
   64    67   -70    76   0.89550 -1.0 2.0
   64    67   -70    76  -0.06900  1.0 3.0
   64    67    72    73   7.00000 -1.0 2.0
   64    67    72    74   7.00000 -1.0 2.0
   64    83    40    33   0.56750  1.0 1.0
   64    83    40    33  -0.07550 -1.0 2.0
   64    83    40    33   0.20000  1.0 3.0
   64    83    40    41   0.15000  1.0 3.0
   64    83    40    48   0.86500  1.0 1.0
   64    83    40    48  -0.17500 -1.0 2.0
   64    83    40    48   0.20800  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    72   0.00000  1.0 1.0
   65    64    83    76   0.23400  1.0 3.0
   65    64    83    84   0.15000  1.0 3.0
   65    64    83    40   0.15000  1.0 3.0
   67    64   -83    76   0.61850  1.0 1.0
   67    64   -83    76  -0.22750 -1.0 2.0
   67    64   -83    76   0.15300  1.0 3.0
   67    64    83    84   0.15000  1.0 3.0
   67    64    83    40   0.34400  1.0 1.0
   67    64    83    40   0.09450 -1.0 2.0
   67    64    83    40   0.11100  1.0 3.0
   67    70   -76    83   2.00000 -1.0 2.0
   70    67    72    73   7.00000 -1.0 2.0
   70    67    72    74   7.00000 -1.0 2.0
   70    76   -83    64  -0.25900  1.0 1.0
   70    76   -83    64  -0.47000 -1.0 2.0
   70    76   -83    64   0.11750  1.0 3.0
   70    76    83    84   0.08050  1.0 3.0
   70    76    83    40  -0.25900  1.0 1.0
   70    76    83    40  -0.47000 -1.0 2.0
   70    76    83    40   0.11750  1.0 3.0
   71    70    76    83   3.00000 -1.0 2.0
   76    83    40    33   0.62750  1.0 1.0
   76    83    40    33  -0.30950 -1.0 2.0
   76    83    40    33   0.27300  1.0 3.0
   76    83    40    41   0.23400  1.0 3.0
   76    83    40    48   3.69350  1.0 1.0
   76    83    40    48  -1.82950 -1.0 2.0
   83    64   -67    70   0.09700  1.0 1.0
   83    64   -67    70   0.15600 -1.0 2.0
   83    64   -67    70  -0.50800  1.0 3.0
   83    64    67    72   0.09850  1.0 1.0
   83    64    67    72   0.15250 -1.0 2.0
   83    64    67    72  -0.50650  1.0 3.0
   83    40    48    49  -0.11600  1.0 1.0
   83    40    48    49  -0.09450 -1.0 2.0
   83    40    48    49   0.21250  1.0 3.0
   84    83    40    33   0.15000  1.0 3.0
   84    83    40    41   0.15000  1.0 3.0
   84    83    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.56750  1.0 1.0
   40    33    37    45  -0.07550 -1.0 2.0
   40    33    37    45   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    50   0.86500  1.0 1.0
   40    33    42    50  -0.17500 -1.0 2.0
   40    33    42    50   0.20800  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   72    67    70    71   1.00000 -1.0 2.0
   72    67    70    76  -0.56150  1.0 1.0
   72    67    70    76   2.19150 -1.0 2.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    67   0.61850  1.0 1.0
   66    62    64    67  -0.22750 -1.0 2.0
   66    62    64    67   0.15300  1.0 3.0
   66    62    64    83   0.62750  1.0 1.0
   66    62    64    83  -0.30950 -1.0 2.0
   66    62    64    83   0.27300  1.0 3.0
   66    68    75    77  -0.56150  1.0 1.0
   66    68    75    77   2.19150 -1.0 2.0
   66    68    75    79  -0.15000  1.0 1.0
   66    68    75    79   0.89550 -1.0 2.0
   66    68    75    79  -0.06900  1.0 3.0
   68    75    77    78   7.00000 -1.0 2.0
   68    75    77    85   7.00000 -1.0 2.0
   68    75    79    80   0.15000  1.0 3.0
   68    75    79    81   0.15000  1.0 3.0
   68    75    79    82   0.15000  1.0 3.0
   69    68    75    77   1.00000 -1.0 2.0
   69    68    75    79  -0.64400  1.0 1.0
   69    68    75    79   0.26850 -1.0 2.0
   75    77    85    86   0.00000  1.0 1.0
   75    77    85    87   0.00000  1.0 1.0
   75    77    85    88   0.67800  1.0 1.0
   75    77    85    88   0.47050 -1.0 2.0
   75    77    85    88  -0.62500  1.0 3.0
   77    75    79    80   0.00000  1.0 1.0
   77    75    79    81   0.00000  1.0 1.0
   77    75    79    82   0.00000  1.0 1.0
   77    85    88    89  -0.07800  1.0 1.0
   77    85    88    89  -0.21500 -1.0 2.0
   77    85    88    89  -0.03150  1.0 3.0
   78    77    85    86   0.33100  1.0 3.0
   78    77    85    87   0.33100  1.0 3.0
   78    77    85    88   0.00000  1.0 1.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   79    75    77    78   7.00000 -1.0 2.0
   79    75    77    85   7.00000 -1.0 2.0
   58    54    55    56   0.34800  1.0 3.0
   58    54    55    57   0.34800  1.0 3.0
   58    54    55    62   0.46850  1.0 1.0
   58    54    55    62   0.08550 -1.0 2.0
   58    54    55    62   0.09800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    40    83   0.56750  1.0 1.0
   42    33    40    83  -0.07550 -1.0 2.0
   42    33    40    83   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
   43    42    50    51   0.19450  1.0 3.0
   44    42    50    51   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   45    53    52    54   1.10000 -1.0 2.0
   55    58    54    52   1.10000 -1.0 2.0
   64    70    67    72   1.10000 -1.0 2.0
   67    76    70    71  10.50000 -1.0 2.0
   73    74    72    67   1.10000 -1.0 2.0
   66    75    68    69  10.50000 -1.0 2.0
   68    79    75    77  15.00000 -1.0 2.0
   85    78    77    75  15.00000 -1.0 2.0
END
