* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    154    241     453
    1     0 S   NP   _N1_     1    29.02480    96.14510   -19.86520
    2     1 S   H    _HN1     2     1.02835    41.47475   155.93742
    3     1 S   H    _H1_     3     1.02777    78.79681   -69.84288
    4     1 S   H    _H2_     4     1.02963    89.43350    38.97993
    5     1 S   CT   _CA1     5     1.50131   151.27268   173.92578
    6     5 S   HC   _HA1     6     1.09572   105.23631    46.53241
    7     5 S   CO3  _C1_     7     1.53835   112.37803   -73.66965
    8     7 S   O2Z  _O11     8     1.26357   115.00210   -42.57377
    9     7 S   O2Z  _O12     9     1.26240   114.94105   136.53875
   10     5 S   CT   _CB1    10     1.53090   107.40643   164.47155
   11    10 S   HC   HB11    11     1.09815   109.40600   -50.09506
   12    10 S   HC   HB12    12     1.09829   110.37508    66.49808
   13    10 S   CT   _CG1    13     1.52976   112.65069  -171.25533
   14    13 S   HC   HG11    14     1.09564   110.23129   -61.20191
   15    13 S   HC   HG12    15     1.09628   110.19069    57.89242
   16    13 S   C    _CD1    16     1.51835   112.20839   178.04766
   17    16 S   O    _OE1    17     1.22719   123.17952   -13.20010
   18    16 S   N    _N2_    18     1.38550   111.62380   167.55452
   19    18 S   H    _HN2    19     1.01580   118.98997     1.05109
   20    18 S   CT1  _CA2    20     1.46286   123.63425  -177.25077
   21    20 S   HC   _HA2    21     1.09728   109.41567   -14.56074
   22    20 S   C    _C2_    22     1.53453   108.16760  -130.21261
   23    22 S   O    _O2_    23     1.23002   122.38044  -146.25155
   24    20 S   CT   _CB2    32     1.53546   111.04784   107.66548
   25    24 S   HC   HB21    33     1.09383   109.21870    52.85036
   26    24 S   HC   HB22    34     1.09500   110.52168   171.44439
   27    22 S   N    _N3_    24     1.38562   113.29997    41.21370
   28    27 S   H    _HN3    25     1.01531   118.83955    -0.74309
   29    24 S   S    _SG2    35     1.83372   111.27641   -69.45077
   30    27 S   CT   _CA3    26     1.45444   123.52022   175.18147
   31    30 S   HC   HA31    27     1.09518   109.32062    22.78724
   32    30 S   HC   HA32    28     1.09498   107.10030   139.78904
   33    29 S   CT   _C19    36     1.86069   101.97332   154.89157
   34    33 S   OM   _O38    37     1.32233   108.58434    59.72887
   35    30 S   CO3  _C3_    29     1.52913   113.06387  -100.75864
   36    35 S   O2Z  _O31    30     1.26407   115.38328   -45.30030
   37    35 S   O2Z  _O32    31     1.26353   115.00537   135.65698
   38    33 S   CO4  _C20    38     1.53442   108.43513   173.48194
   39    38 S   O    _O37    39     1.23001   123.63178    -1.40361
   40    38 S   CA   _C6_    40     1.49654   117.89437   175.39219
   41    40 S   CA   _C7_    41     1.41363   118.08739   -28.37665
   42    41 S   CA   _C8_    42     1.40135   119.18734  -175.72089
   43    41 S   CO4  _C17    70     1.49239   120.90886     4.78565
   44    43 S   O    _O36    71     1.23122   119.39249   173.83423
   45    42 S   CA   _C9_    43     1.38256   118.73456     1.23385
   46    42 S   OH   _O35    68     1.36624   124.25400   179.93744
   47    46 S   HO   _H17    69     0.97354   108.91077     2.32633
   48    33 S   CT   _C18    72     1.55537   113.99653   -64.81674
   49    48 S   HC   _H4_    73     1.10281   107.02739    76.36299
   50    45 S   CA   _C10    44     1.39448   122.98629    -2.67620
   51    48 S   CT   _C21    74     1.56758   117.19889   -41.98982
   52    51 S   HC   _H18    75     1.09426   108.02932    54.85607
   53    40 S   CA   _C5_    45     1.42662   120.51604   152.42748
   54    50 S   CT   _C11    50     1.51480   107.82098  -177.76550
   55    51 S   CT   _C22    76     1.53643   112.18129   169.71311
   56    55 S   HC   _H19    77     1.09429   112.00268    72.33237
   57    55 S   HC   _H20    78     1.09483   111.04874   -49.32844
   58    55 S   HC   _H21    79     1.09597   110.30265  -168.30986
   59    51 S   CT   _C23    80     1.52987   115.23030   -64.66895
   60    59 S   HC   _H22    81     1.09400   111.90640   -59.15259
   61    59 S   HC   _H23    82     1.09589   110.38456  -178.61450
   62    59 S   HC   _H24    83     1.09199   111.71853    63.03972
   63    53 S   CT   _C4_    46     1.50379   121.56643    -8.42474
   64    63 S   HC   _H5_    47     1.09381   110.49946    89.96363
   65    63 S   HC   _H6_    48     1.09175   111.64572  -148.21304
   66    63 S   HC   _H7_    49     1.09466   111.59601   -32.30102
   67    54 S   CO   _C12    51     1.55954    97.74718   -17.90389
   68    67 S   HC   _H3_    52     1.09659   111.16720   148.59563
   69    54 S   CT   _C13    56     1.54385   108.67638    95.78054
   70    69 S   HC   _H9_    57     1.09511   111.40176  -168.50440
   71    69 S   HC   _H10    58     1.09477   111.59613    71.26073
   72    69 S   HC   _H11    59     1.09684   112.01784   -48.74069
   73    54 S   CT   _C14    60     1.54937   115.32524  -137.64218
   74    73 S   HC   _H12    61     1.09844   109.83212    45.16972
   75    73 S   HC   _H13    62     1.09464   110.38060   -70.44715
   76    45 S   OS   _O33    53     1.37579   123.11828   179.03450
   77    67 S   OH   _O34    54     1.42785   112.06057   -90.73126
   78    77 S   HO   _H8_    55     0.97188   106.69950  -159.63070
   79    73 S   CM   _C15    63     1.50659   114.73221   169.91601
   80    79 S   HC   _H14    64     1.08674   117.58243    62.99181
   81    79 S   CM   _C16    65     1.33807   124.05390  -118.80831
   82    81 S   HC   _H15    66     1.08465   120.53386  -179.11089
   83    81 S   HC   _H16    67     1.08463   121.53223     1.00171
  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
  14   7   2   1   1  11   4  14  13  11  10   3  12   3   1  11
   4  18   9   8   9  16   7   3   2   1   3   2   1   1   3   2
   1   1  12   5   9   3   2   1   9   4   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    43    44    48    49    51    52    55    59  
   38    39    40    43    48    49    51  
   36    37  
   37  
    0  
   39    40    41    42    50    53    63    43    48    49    51  
   40    41    53    48  
   41    42    45    50    53    63    64    65    66    54    46    43    44    48  
   42    45    50    53    63    76    46    47    43    44    48    49    51  
   45    50    53    54    67    76    46    47    43    44    48  
   44    48    49    51    52    55    59    45    46    53  
   48    49    51  
   50    53    63    54    67    68    76    77    69    73    46    47  
   47    50    76  
    0  
   49    51    52    55    56    57    58    59    60    61    62  
   51    52    55    59  
   53    63    64    65    66    54    67    68    76    77    69    70    71    72    73    74    75    79  
   52    55    56    57    58    59    60    61    62  
   55    56    57    58    59    60    61    62  
   63    64    65    66    54    67    76    69    73  
   67    68    76    77    78    69    70    71    72    73    74    75    79    80    81    63  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    76    77    78    69    70    71    72    73    74    75    79  
   76    77    78    69    73  
   70    71    72    73    74    75    79    76    77  
   71    72    73  
   72    73  
   73  
   74    75    79    80    81    82    83    76    77  
   75    79    80    81  
   79    80    81  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.585000   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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   570.000  1.307
   33    38   317.000  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    53   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    46   450.000  1.364
   45    50   469.000  1.400
   45    76   450.000  1.364
   50    53   469.000  1.400
   50    54   317.000  1.510
   53    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   54    67   250.000  1.527
   54    69   268.000  1.529
   54    73   268.000  1.529
   67    68   340.000  1.090
   67    76   320.000  1.380
   67    77   380.000  1.407
   77    78   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   317.000  1.510
   79    80   340.000  1.080
   79    81   549.000  1.340
   81    82   340.000  1.080
   81    83   340.000  1.080
   46    47   553.000  0.945
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    48    43    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   38    33    34    90.00000  108.74100
   38    40    41    60.00000  119.52600
   38    40    53    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    53    50    63.00000  120.00000
   40    53    63    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    70.00000  120.00000
   41    43    44    75.00000  123.78400
   41    43    48    65.00000  115.47100
   42    45    50    63.00000  120.00000
   42    45    76    70.00000  120.00000
   42    46    47    35.00000  113.00000
   45    50    53    63.00000  120.00000
   45    50    54    70.00000  120.00000
   45    76    67   100.00000  112.36700
   50    53    63    70.00000  120.00000
   50    54    67    70.00000  112.17500
   50    54    69    70.00000  112.17500
   50    54    73    70.00000  112.17500
   53    40    41    63.00000  120.00000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   54    50    53    70.00000  120.00000
   54    67    68    45.00000  112.01100
   54    67    76    90.00000  108.56700
   54    67    77    90.00000  110.19100
   54    69    70    37.50000  110.70000
   54    69    71    37.50000  110.70000
   54    69    72    37.50000  110.70000
   54    73    74    37.50000  110.70000
   54    73    75    37.50000  110.70000
   54    73    79    70.00000  112.02700
   67    77    78    70.00000  107.92000
   76    45    50    70.00000  120.00000
   76    67    68    35.00000  109.50000
   77    67    68    60.00000  108.02500
   77    67    76   110.00000  112.08000
   69    54    67    75.00000  109.43000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    54    67    75.00000  109.43000
   73    54    69    58.35000  112.70000
   73    79    80    35.00000  117.00000
   73    79    81    70.00000  124.00000
   75    73    74    33.00000  107.80000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   79    81    82    35.00000  120.00000
   79    81    83    35.00000  120.00000
   81    79    80    35.00000  120.00000
   83    81    82    35.00000  117.00000
   46    42    45    70.00000  120.00000
   43    41    42    60.00000  119.52600
   43    48    49    35.00000  109.50000
   43    48    51    63.00000  111.10000
   48    33    34    50.00000  109.50000
   48    33    38    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    55    58.35000  112.70000
   48    51    59    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   55    51    52    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    53   2.26350  1.0 1.0
   33    38    40    53   0.76750 -1.0 2.0
   33    38    40    53   0.22500  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    55   0.56750  1.0 1.0
   33    48    51    55  -0.07550 -1.0 2.0
   33    48    51    55   0.20000  1.0 3.0
   33    48    51    59   0.56750  1.0 1.0
   33    48    51    59  -0.07550 -1.0 2.0
   33    48    51    59   0.20000  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    40   0.65300  1.0 1.0
   34    33    38    40  -0.03850 -1.0 2.0
   34    33    38    40   0.33900  1.0 3.0
   34    33    48    43  -0.09450  1.0 1.0
   34    33    48    43  -1.12950 -1.0 2.0
   34    33    48    43   0.54000  1.0 3.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    51   0.62750  1.0 1.0
   34    33    48    51  -0.30950 -1.0 2.0
   34    33    48    51   0.27300  1.0 3.0
   38    33    48    43   0.11950  1.0 1.0
   38    33    48    43   0.20300 -1.0 2.0
   38    33    48    43  -0.70800  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    51  -0.95700  1.0 1.0
   38    33    48    51  -0.18200 -1.0 2.0
   38    33    48    51   0.29450  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    53    50   3.62500 -1.0 2.0
   38    40    53    63   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    53   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    48   2.26350  1.0 1.0
   40    41    43    48   0.76750 -1.0 2.0
   40    41    43    48   0.22500  1.0 3.0
   40    53    63    64   0.00000  1.0 1.0
   40    53    63    65   0.00000  1.0 1.0
   40    53    63    66   0.00000  1.0 1.0
   41    40    53    50   3.62500 -1.0 2.0
   41    40    53    63   3.62500 -1.0 2.0
   41    42   -45    50   3.62500 -1.0 2.0
   41    42    45    76   3.62500 -1.0 2.0
   41    42    46    47   0.84100 -1.0 2.0
   41    43   -48    33   0.05850 -1.0 2.0
   41    43   -48    33   0.17250  1.0 3.0
   41    43    48    49   0.00000  1.0 1.0
   41    43    48    51   0.05850 -1.0 2.0
   41    43    48    51   0.17250  1.0 3.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    48   2.26350  1.0 1.0
   42    41    43    48   0.76750 -1.0 2.0
   42    41    43    48   0.22500  1.0 3.0
   42    45    50    53   3.62500 -1.0 2.0
   42    45    50    54   3.62500 -1.0 2.0
   42    45    76    67   1.63200 -1.0 2.0
   45    42    46    47   0.84100 -1.0 2.0
   45    50   -53    40   3.62500 -1.0 2.0
   45    50    53    63   3.62500 -1.0 2.0
   45    50   -54    67   0.04150 -1.0 2.0
   45    50    54    69   0.04150 -1.0 2.0
   45    50    54    73   0.04150 -1.0 2.0
   50    45   -76    67   1.63200 -1.0 2.0
   50    53    63    64   0.00000  1.0 1.0
   50    53    63    65   0.00000  1.0 1.0
   50    53    63    66   0.00000  1.0 1.0
   50    54    67    68   0.43200  1.0 3.0
   50    54   -67    76  -0.64350  1.0 1.0
   50    54   -67    76  -0.04200 -1.0 2.0
   50    54   -67    76   0.19800  1.0 3.0
   50    54    67    77   1.13150  1.0 1.0
   50    54    67    77  -1.01400 -1.0 2.0
   50    54    69    70   0.43200  1.0 3.0
   50    54    69    71   0.43200  1.0 3.0
   50    54    69    72   0.43200  1.0 3.0
   50    54    73    74   0.43200  1.0 3.0
   50    54    73    75   0.43200  1.0 3.0
   50    54    73    79   0.21200  1.0 1.0
   50    54    73    79   0.16900 -1.0 2.0
   50    54    73    79  -1.15100  1.0 3.0
   53    40   -41    42   3.62500 -1.0 2.0
   53    40    41    43   3.62500 -1.0 2.0
   53    50    54    67   0.04150 -1.0 2.0
   53    50    54    69   0.04150 -1.0 2.0
   53    50    54    73   0.04150 -1.0 2.0
   54    50    53    40   3.62500 -1.0 2.0
   54    50    53    63   3.62500 -1.0 2.0
   54    67   -76    45  -0.32850  1.0 1.0
   54    67   -76    45  -0.35800 -1.0 2.0
   54    67   -76    45   0.33950  1.0 3.0
   54    67    77    78  -0.11600  1.0 1.0
   54    67    77    78  -0.09450 -1.0 2.0
   54    67    77    78   0.21250  1.0 3.0
   54    73    79    80   0.00000  1.0 1.0
   54    73    79    81   0.09850  1.0 1.0
   54    73    79    81   0.15250 -1.0 2.0
   54    73    79    81  -0.50650  1.0 3.0
   67    54    69    70   0.15000  1.0 3.0
   67    54    69    71   0.15000  1.0 3.0
   67    54    69    72   0.15000  1.0 3.0
   67    54    73    74   0.15000  1.0 3.0
   67    54    73    75   0.15000  1.0 3.0
   67    54    73    79   0.34400  1.0 1.0
   67    54    73    79   0.09450 -1.0 2.0
   67    54    73    79   0.11100  1.0 3.0
   68    67    76    45   0.08050  1.0 3.0
   68    67    77    78   0.19450  1.0 3.0
   76    45    50    53   3.62500 -1.0 2.0
   76    45   -50    54   3.62500 -1.0 2.0
   76    67    77    78  -0.50000  1.0 1.0
   76    67    77    78  -0.73950 -1.0 2.0
   76    67    77    78   0.17150  1.0 3.0
   77    67    76    45  -0.25600  1.0 1.0
   77    67    76    45  -0.40050 -1.0 2.0
   77    67    76    45   0.34700  1.0 3.0
   69    54    67    68   0.15000  1.0 3.0
   69    54    67    76   0.62750  1.0 1.0
   69    54    67    76  -0.30950 -1.0 2.0
   69    54    67    76   0.27300  1.0 3.0
   69    54    67    77   0.86500  1.0 1.0
   69    54    67    77  -0.17500 -1.0 2.0
   69    54    67    77   0.20800  1.0 3.0
   69    54    73    74   0.15000  1.0 3.0
   69    54    73    75   0.15000  1.0 3.0
   69    54    73    79   0.34400  1.0 1.0
   69    54    73    79   0.09450 -1.0 2.0
   69    54    73    79   0.11100  1.0 3.0
   73    54    67    68   0.15000  1.0 3.0
   73    54    67    76   0.62750  1.0 1.0
   73    54    67    76  -0.30950 -1.0 2.0
   73    54    67    76   0.27300  1.0 3.0
   73    54    67    77   0.86500  1.0 1.0
   73    54    67    77  -0.17500 -1.0 2.0
   73    54    67    77   0.20800  1.0 3.0
   73    54    69    70   0.15000  1.0 3.0
   73    54    69    71   0.15000  1.0 3.0
   73    54    69    72   0.15000  1.0 3.0
   73    79    81    82   7.00000 -1.0 2.0
   73    79    81    83   7.00000 -1.0 2.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    81   0.00000  1.0 1.0
   75    73    79    80   0.33100  1.0 3.0
   75    73    79    81   0.00000  1.0 1.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    83   7.00000 -1.0 2.0
   46    42    45    50   3.62500 -1.0 2.0
   46    42    45    76   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   43    48    51    52  -0.11250  1.0 3.0
   43    48    51    55  -0.95700  1.0 1.0
   43    48    51    55  -0.18200 -1.0 2.0
   43    48    51    55   0.29450  1.0 3.0
   43    48    51    59  -0.95700  1.0 1.0
   43    48    51    59  -0.18200 -1.0 2.0
   43    48    51    59   0.29450  1.0 3.0
   44    43    48    33   0.30150 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    51   0.30150 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.05850 -1.0 2.0
   48    33   -38    40   0.17250  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51    55    58   0.15000  1.0 3.0
   48    51    59    60   0.15000  1.0 3.0
   48    51    59    61   0.15000  1.0 3.0
   48    51    59    62   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   49    48    51    59   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   55    51    59    60   0.15000  1.0 3.0
   55    51    59    61   0.15000  1.0 3.0
   55    51    59    62   0.15000  1.0 3.0
   59    51    55    56   0.15000  1.0 3.0
   59    51    55    57   0.15000  1.0 3.0
   59    51    55    58   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    53    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   50    76    45    42   4.00000 -1.0 2.0
   53    54    50    45   4.00000 -1.0 2.0
   50    63    53    40   4.00000 -1.0 2.0
   73    80    79    81  15.00000 -1.0 2.0
   82    83    81    79  15.00000 -1.0 2.0
   41    48    43    44  10.50000 -1.0 2.0
END
