* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    151    235     457
    1     0 S   NP   _N1_     1    28.70901    94.33589   -20.94623
    2     1 S   H    _HN1     2     1.02965    32.85259   120.99431
    3     1 S   H    _H1_     3     1.02802    83.57272  -101.33611
    4     1 S   H    _H2_     4     1.02874    94.97232     6.39623
    5     1 S   CT   _CA1     5     1.50464   141.75387   140.81032
    6     5 S   HC   _HA1     6     1.09686   104.71413    52.00206
    7     5 S   CO3  _C1_     7     1.54422   110.94072   -64.02968
    8     7 S   O2Z  _O11     8     1.26114   116.80236  -117.49867
    9     7 S   O2Z  _O12     9     1.26506   113.86620    61.72671
   10     5 S   CT   _CB1    10     1.53055   107.05071   168.06526
   11    10 S   HC   HB11    11     1.09830   110.00191   -43.82688
   12    10 S   HC   HB12    12     1.09801   110.04473    72.76271
   13    10 S   CT   _CG1    13     1.53088   112.43142  -164.59549
   14    13 S   HC   HG11    14     1.09439   110.66545   -52.46173
   15    13 S   HC   HG12    15     1.09611   110.19671    66.48473
   16    13 S   C    _CD1    16     1.51705   111.69135  -173.48278
   17    16 S   O    _OE1    17     1.22745   122.96480   -19.57720
   18    16 S   N    _N2_    18     1.38476   111.95166   161.31243
   19    18 S   H    _HN2    19     1.01552   119.30281     3.65291
   20    18 S   CT1  _CA2    20     1.46179   123.38167  -175.17407
   21    20 S   HC   _HA2    21     1.09725   109.58618     1.80439
   22    20 S   C    _C2_    22     1.53296   108.16233  -114.31098
   23    22 S   O    _O2_    23     1.23015   122.36028  -138.00762
   24    20 S   CT   _CB2    32     1.53384   110.98609   123.49151
   25    24 S   HC   HB21    33     1.09419   109.45564    59.29710
   26    24 S   HC   HB22    34     1.09520   110.25677   177.99826
   27    22 S   N    _N3_    24     1.38549   113.33686    48.57463
   28    27 S   H    _HN3    25     1.01508   119.02438     0.58517
   29    24 S   S    _SG2    35     1.82803   111.43248   -61.93436
   30    27 S   CT   _CA3    26     1.45442   123.26176   175.94290
   31    30 S   HC   HA31    27     1.09534   109.09747    27.43533
   32    30 S   HC   HA32    28     1.09495   107.15663   144.35793
   33    29 S   CT   _C15    36     1.84682    99.98616   175.27072
   34    33 S   HC   _H13    37     1.09769   106.02338    44.46835
   35    30 S   CO3  _C3_    29     1.52922   113.18290   -95.98045
   36    35 S   O2Z  _O31    30     1.26399   115.40497   -46.51010
   37    35 S   O2Z  _O32    31     1.26362   115.01076   134.47107
   38    33 S   CT   _C10    38     1.54428   110.45313   -74.07763
   39    38 S   HC   _H8_    39     1.09628   110.69554    60.51279
   40    38 S   CT   _C11    40     1.54165   108.81913   179.44082
   41    40 S   HC   _H9_    41     1.09744   108.34449   -62.81911
   42    38 S   OS   _O34    58     1.43481   108.79107   -60.31368
   43    40 S   CT   _C12    42     1.53077   112.49093    57.89281
   44    43 S   HC   _H10    43     1.09619   110.37156  -178.48845
   45    40 S   OH   _O40    56     1.42593   110.28690  -179.42870
   46    45 S   HO   _H18    57     0.97295   107.53215   173.92539
   47    42 S   CO   _C9_    59     1.43107   114.08580   141.59144
   48    47 S   HC   _H7_    60     1.09379   108.62984    46.57345
   49    43 S   CT   _C13    44     1.53174   110.54983   -56.49166
   50    49 S   HC   _H11    45     1.09767   109.51190   -67.75625
   51    43 S   OH   _O39    54     1.42966   110.45659    65.00564
   52    51 S   HO   _H17    55     0.97259   107.05634    49.71066
   53    47 S   CT   _C8_    61     1.52961   107.71404   164.44849
   54    53 S   HC   _H6_    62     1.09534   111.46882   -58.02339
   55    33 S   CT   _C14    46     1.55611   110.29964   161.07172
   56    55 S   HC   _H12    47     1.09995   110.35757    56.57959
   57    49 S   OH   _O38    52     1.42927   108.64764   176.27185
   58    57 S   HO   _H16    53     0.97168   107.78616    57.83068
   59    53 S   CT   _C7_    63     1.52910   110.73813   177.56361
   60    59 S   HC   _H5_    64     1.09724   109.68983    70.44385
   61    53 S   NP   _N4_    79     1.49828   108.78687    56.59926
   62    61 S   H    _H19    80     1.02966   110.93900   -59.85024
   63    61 S   H    _H20    81     1.02854   111.57236   179.80021
   64    61 S   H    _H21    82     1.03334   113.29024    59.86490
   65    55 S   OS   _O35    48     1.44003   107.20454   -64.61853
   66    59 S   CT   _C6_    65     1.53186   111.83020   -50.56211
   67    66 S   HC   _H4_    66     1.09492   108.65188   -73.02030
   68    59 S   OH   _O41    77     1.42763   109.99560  -172.74307
   69    68 S   HO   _H22    78     0.97275   107.79123   -68.04856
   70    65 S   PR   _P1_    49     1.62247   118.56241   145.36021
   71    70 S   OM   _O37    50     1.64147    97.67001   177.00644
   72    70 S   OM   _O36    51     1.64091    98.44065   -83.71078
   73    66 S   CT   _C5_    67     1.53797   111.93138    48.01854
   74    73 S   HC   _H3_    68     1.09728   107.71986  -164.93167
   75    66 S   OH   _O42    75     1.42520   109.22794   171.09472
   76    75 S   HO   _H23    76     0.97277   107.60415   171.86791
   77    47 S   OS   _O33    69     1.43168   111.73785   -74.56496
   78    73 S   CT   _C4_    70     1.53502   114.39922    77.28303
   79    78 S   HC   _H14    71     1.09439   110.94626    57.79537
   80    78 S   HC   _H15    72     1.09285   112.52750   -63.96996
   81    78 S   OH   _O43    73     1.42441   108.91599   176.26456
   82    81 S   HO   _H24    74     0.97264   107.13642  -178.94075
  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
  16   8   2   1   1  17   7  13   7  11  12   7   3   1  15   6
   9   6   3   1  14   9   7   3   2   1  15   7   6   2   1   1
   3  12   7   3   1   2   1   1   9   6   3   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    55    56    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    55    56    65    70    57    45    42    47  
   38    39    40    49    55    56    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    55    56    65    51    45    46    42    47    48    53    77  
   40    41    43    55    45    42    47  
   41    43    44    49    50    55    57    51    52    45    46    42    47  
   43    44    49    51    45    46    42  
   47    48    53    54    59    73    77    61    43    45    55  
   44    49    50    55    56    65    57    58    51    52    45    46  
   49    50    55    57    51    52    45  
   46    49    51  
    0  
   48    53    54    59    60    66    73    74    77    78    68    61    62    63    64  
   53    54    59    73    77    61  
   50    55    56    65    70    57    58    51    52  
   55    56    65    57    58    51  
   52    55    57  
    0  
   54    59    60    66    67    73    77    75    68    69    61    62    63    64  
   59    60    66    77    68    61    62    63    64  
   56    65    70    71    72    57    58  
   65    70    57  
   58    65  
    0  
   60    66    67    73    74    77    78    75    76    68    69    61    62    63    64  
   66    67    73    75    68    69    61  
   62    63    64    66    68    77  
   63    64  
   64  
    0  
   70    71    72  
   67    73    74    77    78    79    80    81    75    76    68    69  
   73    74    77    78    75    76    68  
   69    73    75  
    0  
   71    72  
   72  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   62   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -1.312500   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   71   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   72   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   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    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   268.000  1.529
   33    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   320.000  1.410
   55    56   340.000  1.090
   55    65   320.000  1.410
   65    70   325.000  1.672
   70    71   325.000  1.672
   70    72   325.000  1.672
   57    58   553.000  0.945
   51    52   553.000  0.945
   45    46   553.000  0.945
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    53   250.000  1.527
   47    77   320.000  1.380
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    61   367.000  1.471
   59    60   340.000  1.090
   59    66   268.000  1.529
   59    68   320.000  1.410
   66    67   340.000  1.090
   66    73   268.000  1.529
   66    75   320.000  1.410
   73    74   340.000  1.090
   73    77   320.000  1.410
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   320.000  1.410
   81    82   553.000  0.945
   75    76   553.000  0.945
   68    69   553.000  0.945
   61    62   434.000  1.010
   61    63   434.000  1.010
   61    64   434.000  1.010
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  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    49    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    55    58.35000  112.70000
   43    49    57    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    65    50.00000  109.50000
   49    57    58    55.00000  108.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    49    50    37.50000  110.70000
   55    65    70   100.00000  120.50000
   65    55    56    35.00000  109.50000
   65    70    71    45.00000  102.60000
   65    70    72    45.00000  102.60000
   72    70    71    35.00000   94.00000
   57    49    50    35.00000  109.50000
   57    49    55    50.00000  109.50000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    53    90.00000  108.56700
   42    47    77    92.60000  111.55000
   47    53    54    45.00000  108.72000
   47    53    59    75.00000  109.43000
   47    53    61    80.00000  111.20000
   47    77    73    60.00000  109.50000
   53    47    48    45.00000  112.01100
   53    59    60    37.50000  110.70000
   53    59    66    58.35000  112.70000
   53    59    68    50.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   59    53    54    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    73    58.35000  112.70000
   59    66    75    50.00000  109.50000
   59    68    69    55.00000  108.50000
   66    59    60    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    77    50.00000  109.50000
   66    73    78    58.35000  112.70000
   66    75    76    55.00000  108.50000
   73    66    67    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    50.00000  109.50000
   77    47    48    35.00000  109.50000
   77    47    53    90.00000  108.56700
   77    73    74    35.00000  109.50000
   78    73    74    37.50000  110.70000
   78    73    77    50.00000  109.50000
   78    81    82    55.00000  108.50000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   75    66    67    35.00000  109.50000
   75    66    73    50.00000  109.50000
   68    59    60    35.00000  109.50000
   68    59    66    50.00000  109.50000
   61    53    54    35.00000  109.50000
   61    53    59    80.00000  111.20000
   63    61    62    35.00000  109.50000
   64    61    62    35.00000  109.50000
   64    61    63    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    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    49   0.44750  1.0 1.0
   29    33    55    49  -0.17800 -1.0 2.0
   29    33    55    49   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    65   0.56750  1.0 1.0
   29    33    55    65  -0.07550 -1.0 2.0
   29    33    55    65   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    55    65    70  -2.65550  1.0 1.0
   33    55    65    70  -0.22350 -1.0 2.0
   33    55    65    70   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    49   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    65   0.23400  1.0 3.0
   38    33    55    49   0.56750  1.0 1.0
   38    33    55    49  -0.07550 -1.0 2.0
   38    33    55    49   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    65   0.62750  1.0 1.0
   38    33    55    65  -0.30950 -1.0 2.0
   38    33    55    65   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    53   0.06250  1.0 1.0
   38    42    47    53  -0.01100 -1.0 2.0
   38    42    47    53   0.28050  1.0 3.0
   38    42    47    77  -0.53350  1.0 1.0
   38    42    47    77  -0.78350 -1.0 2.0
   38    42    47    77   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    55   0.56750  1.0 1.0
   40    43    49    55  -0.07550 -1.0 2.0
   40    43    49    55   0.20000  1.0 3.0
   40    43    49    57   0.86500  1.0 1.0
   40    43    49    57  -0.17500 -1.0 2.0
   40    43    49    57   0.20800  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    49   -55    33   0.56750  1.0 1.0
   43    49   -55    33  -0.07550 -1.0 2.0
   43    49   -55    33   0.20000  1.0 3.0
   43    49    55    56   0.15000  1.0 3.0
   43    49    55    65   0.62750  1.0 1.0
   43    49    55    65  -0.30950 -1.0 2.0
   43    49    55    65   0.27300  1.0 3.0
   43    49    57    58  -0.11600  1.0 1.0
   43    49    57    58  -0.09450 -1.0 2.0
   43    49    57    58   0.21250  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    55   0.15000  1.0 3.0
   44    43    49    57   0.23400  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   49    43    51    52  -0.11600  1.0 1.0
   49    43    51    52  -0.09450 -1.0 2.0
   49    43    51    52   0.21250  1.0 3.0
   49    55    65    70  -2.65550  1.0 1.0
   49    55    65    70  -0.22350 -1.0 2.0
   49    55    65    70   0.24150  1.0 3.0
   50    49    55    33   0.15000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    65   0.23400  1.0 3.0
   50    49    57    58   0.19450  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   55    49    57    58  -0.11600  1.0 1.0
   55    49    57    58  -0.09450 -1.0 2.0
   55    49    57    58   0.21250  1.0 3.0
   55    65    70    71   0.05050  1.0 1.0
   55    65    70    71  -1.30700 -1.0 2.0
   55    65    70    71   0.91550  1.0 3.0
   55    65    70    72   0.05050  1.0 1.0
   55    65    70    72  -1.30700 -1.0 2.0
   55    65    70    72   0.91550  1.0 3.0
   56    55    65    70   0.03000  1.0 3.0
   57    49    55    33   0.86500  1.0 1.0
   57    49    55    33  -0.17500 -1.0 2.0
   57    49    55    33   0.20800  1.0 3.0
   57    49    55    56   0.23400  1.0 3.0
   57    49    55    65   3.69350  1.0 1.0
   57    49    55    65  -1.82950 -1.0 2.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    55   0.86500  1.0 1.0
   51    43    49    55  -0.17500 -1.0 2.0
   51    43    49    55   0.20800  1.0 3.0
   51    43    49    57   3.75450  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.86500  1.0 1.0
   45    40    43    49  -0.17500 -1.0 2.0
   45    40    43    49   0.20800  1.0 3.0
   45    40    43    51   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    53    54   0.23400  1.0 3.0
   42    47    53    59   0.62750  1.0 1.0
   42    47    53    59  -0.30950 -1.0 2.0
   42    47    53    59   0.27300  1.0 3.0
   42    47    53    61   1.69300  1.0 1.0
   42    47    53    61  -0.48450 -1.0 2.0
   42    47    77    73  -0.81800  1.0 1.0
   47    53    59    60   0.15000  1.0 3.0
   47    53    59    66   3.97050  1.0 1.0
   47    53    59    68   0.86500  1.0 1.0
   47    53    59    68  -0.17500 -1.0 2.0
   47    53    59    68   0.20800  1.0 3.0
   47    53    61    62   0.17350  1.0 3.0
   47    53    61    63   0.17350  1.0 3.0
   47    53    61    64   0.17350  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    59   0.15000  1.0 3.0
   48    47    53    61   0.19200  1.0 3.0
   48    47    77    73   0.37050  1.0 3.0
   53    47    77    73   0.06250  1.0 1.0
   53    47    77    73  -0.01100 -1.0 2.0
   53    47    77    73   0.28050  1.0 3.0
   53    59    66    67   0.15000  1.0 3.0
   53    59   -66    73   0.56750  1.0 1.0
   53    59   -66    73  -0.07550 -1.0 2.0
   53    59   -66    73   0.20000  1.0 3.0
   53    59    66    75   0.86500  1.0 1.0
   53    59    66    75  -0.17500 -1.0 2.0
   53    59    66    75   0.20800  1.0 3.0
   53    59    68    69  -0.11600  1.0 1.0
   53    59    68    69  -0.09450 -1.0 2.0
   53    59    68    69   0.21250  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    66   0.15000  1.0 3.0
   54    53    59    68   0.23400  1.0 3.0
   54    53    61    62   0.13050  1.0 3.0
   54    53    61    63   0.13050  1.0 3.0
   54    53    61    64   0.13050  1.0 3.0
   59    53    61    62   0.17350  1.0 3.0
   59    53    61    63   0.17350  1.0 3.0
   59    53    61    64   0.17350  1.0 3.0
   59    66    73    74   0.15000  1.0 3.0
   59    66    73    77   0.62750  1.0 1.0
   59    66    73    77  -0.30950 -1.0 2.0
   59    66    73    77   0.27300  1.0 3.0
   59    66    73    78   0.56750  1.0 1.0
   59    66    73    78  -0.07550 -1.0 2.0
   59    66    73    78   0.20000  1.0 3.0
   59    66    75    76  -0.11600  1.0 1.0
   59    66    75    76  -0.09450 -1.0 2.0
   59    66    75    76   0.21250  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    73   0.15000  1.0 3.0
   60    59    66    75   0.23400  1.0 3.0
   60    59    68    69   0.19450  1.0 3.0
   66    59    68    69  -0.11600  1.0 1.0
   66    59    68    69  -0.09450 -1.0 2.0
   66    59    68    69   0.21250  1.0 3.0
   66    73   -77    47   0.06250  1.0 1.0
   66    73   -77    47  -0.01100 -1.0 2.0
   66    73   -77    47   0.28050  1.0 3.0
   66    73    78    79   0.15000  1.0 3.0
   66    73    78    80   0.15000  1.0 3.0
   66    73    78    81   0.86500  1.0 1.0
   66    73    78    81  -0.17500 -1.0 2.0
   66    73    78    81   0.20800  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    77   0.23400  1.0 3.0
   67    66    73    78   0.15000  1.0 3.0
   67    66    75    76   0.19450  1.0 3.0
   73    66    75    76  -0.11600  1.0 1.0
   73    66    75    76  -0.09450 -1.0 2.0
   73    66    75    76   0.21250  1.0 3.0
   73    78    81    82  -0.11600  1.0 1.0
   73    78    81    82  -0.09450 -1.0 2.0
   73    78    81    82   0.21250  1.0 3.0
   74    73    77    47   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    47    53    54   0.23400  1.0 3.0
   77    47   -53    59   0.62750  1.0 1.0
   77    47   -53    59  -0.30950 -1.0 2.0
   77    47   -53    59   0.27300  1.0 3.0
   77    47    53    61   1.69300  1.0 1.0
   77    47    53    61  -0.48450 -1.0 2.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   3.69350  1.0 1.0
   77    73    78    81  -1.82950 -1.0 2.0
   78    73    77    47   0.06250  1.0 1.0
   78    73    77    47  -0.01100 -1.0 2.0
   78    73    77    47   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    66    73    74   0.23400  1.0 3.0
   75    66    73    77   3.69350  1.0 1.0
   75    66    73    77  -1.82950 -1.0 2.0
   75    66    73    78   0.86500  1.0 1.0
   75    66    73    78  -0.17500 -1.0 2.0
   75    66    73    78   0.20800  1.0 3.0
   68    59    66    67   0.23400  1.0 3.0
   68    59    66    73   0.86500  1.0 1.0
   68    59    66    73  -0.17500 -1.0 2.0
   68    59    66    73   0.20800  1.0 3.0
   68    59    66    75   3.75450  1.0 1.0
   61    53    59    60   0.19200  1.0 3.0
   61    53    59    66   1.36600  1.0 1.0
   61    53    59    66  -0.11450 -1.0 2.0
   61    53    59    66   0.24250  1.0 3.0
   61    53    59    68   1.69300  1.0 1.0
   61    53    59    68  -0.48450 -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
END
