* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    154    247     466
    1     0 S   NP   _N1_     1    28.73413    94.11904   -21.05868
    2     1 S   H    _HN1     2     1.02777    87.80069   -83.21422
    3     1 S   H    _H1_     3     1.02959    94.96084    24.99834
    4     1 S   H    _H2_     4     1.02838    28.87012   141.84119
    5     1 S   CT   _CA1     5     1.50114   139.14333   154.44780
    6     5 S   HC   _HA1     6     1.09564   105.28474    52.77915
    7     5 S   CO3  _C1_     7     1.53834   112.31168   -67.61498
    8     7 S   O2Z  _O11     8     1.26369   114.98942   -43.98601
    9     7 S   O2Z  _O12     9     1.26227   114.91313   135.18802
   10     5 S   CT   _CB1    10     1.53069   107.44753   170.86260
   11    10 S   HC   HB11    11     1.09821   109.54875   -49.11691
   12    10 S   HC   HB12    12     1.09834   110.30076    67.47728
   13    10 S   CT   _CG1    13     1.53030   112.66763  -170.18809
   14    13 S   HC   HG11    14     1.09563   110.40794   -59.30668
   15    13 S   HC   HG12    15     1.09620   110.15911    59.93990
   16    13 S   C    _CD1    16     1.51769   112.05272  -179.72305
   17    16 S   O    _OE1    17     1.22739   123.15553    -9.55345
   18    16 S   N    _N2_    18     1.38623   111.74607   170.62250
   19    18 S   H    _HN2    19     1.01578   119.12734     2.43269
   20    18 S   CT1  _CA2    20     1.46273   123.22466  -175.89353
   21    20 S   HC   _HA2    21     1.09728   109.36353   -11.97895
   22    20 S   C    _C2_    22     1.53337   108.55937  -127.89028
   23    22 S   O    _O2_    23     1.23015   122.22980  -146.02041
   24    20 S   CT   _CB2    32     1.53484   111.20879   109.80681
   25    24 S   HC   HB21    33     1.09468   109.59785    58.98655
   26    24 S   HC   HB22    34     1.09521   110.57489   177.31496
   27    22 S   N    _N3_    24     1.38508   113.36870    41.35459
   28    27 S   H    _HN3    25     1.01527   118.89552    -0.58081
   29    24 S   S    _SG2    35     1.82845   111.44114   -63.14120
   30    27 S   CT   _CA3    26     1.45450   123.43014   175.06851
   31    30 S   HC   HA31    27     1.09525   109.20287    24.98583
   32    30 S   HC   HA32    28     1.09495   107.12895   141.98899
   33    29 S   CT   _C12    36     1.84523   100.08818   157.53688
   34    33 S   HC   _H6_    37     1.09906   104.72777    44.84046
   35    30 S   CO3  _C3_    29     1.52931   113.14299   -98.46521
   36    35 S   O2Z  _O31    30     1.26400   115.41702   -44.04191
   37    35 S   O2Z  _O32    31     1.26357   114.97130   136.89229
   38    33 S   CT   _C11    38     1.54400   110.48766   -73.79473
   39    38 S   HC   _H5_    39     1.09467   114.76301    29.40366
   40    33 S   CT   _C5_    50     1.58095   115.59897   167.20579
   41    40 S   OM   _O42    51     1.32901   107.48093  -135.78236
   42    38 S   CT   _C10    40     1.53564   105.49927   -94.23168
   43    40 S   CT   _C4_    52     1.54258   115.34022   -18.94715
   44    43 S   HC   _H12    53     1.09926   111.74019   -56.31132
   45    43 S   HC   _H13    54     1.09838   112.38447  -175.58607
   46    43 S   HC   _H14    55     1.09371   112.43909    63.88142
   47    38 S   OH   _O34    81     1.43431   109.42041   148.44510
   48    47 S   HO   _H17    82     0.97216   107.45604   -56.13456
   49    42 S   CM   _C9_    41     1.49922   113.39551    83.26870
   50    49 S   HC   _H16    42     1.08579   118.60841    51.97303
   51    42 S   OH   _O35    79     1.42673   109.88318  -157.97719
   52    51 S   HO   _H18    80     0.97358   106.81500    47.44053
   53    49 S   CM   _C8_    43     1.33636   122.08591  -127.15420
   54    53 S   HC   _H15    44     1.08102   123.20357   176.43993
   55    53 S   OS   _O33    45     1.36688   125.80634    -2.25897
   56    55 S   CO   _C7_    46     1.43742   115.23018   -14.68837
   57    56 S   HC   _H4_    47     1.09550   107.44520   162.82492
   58    42 S   CT   _C6_    48     1.54690   103.91706   -38.63956
   59    58 S   HC   _H3_    49     1.10352   106.86517   -87.00633
   60    56 S   OS1  _O36    56     1.43948   111.61815   -79.45958
   61    60 S   CO1  _C13    57     1.43175   113.27908   -65.25021
   62    61 S   HC   _H7_    58     1.09762   108.93005    51.06195
   63    61 S   CT   _C14    59     1.53411   107.27818   170.07938
   64    63 S   HC   _H8_    60     1.09683   109.98103    53.14101
   65    63 S   CT   _C15    61     1.53068   111.13662   175.00205
   66    65 S   HC   _H9_    62     1.09668   110.20958    73.65173
   67    63 S   OH5  _O41    77     1.42914   110.25901   -63.72441
   68    67 S   HO   _H24    78     0.97228   108.31468   -54.16875
   69    65 S   CT   _C16    63     1.53189   111.35195   -49.08265
   70    69 S   HC   _H10    64     1.09706   109.04781   -71.57322
   71    65 S   OH5  _O40    75     1.42976   109.70262  -170.44062
   72    71 S   HO   _H23    76     0.97238   108.10052    59.36707
   73    69 S   CT   _C17    65     1.53225   110.72693    49.68353
   74    73 S   HC   _H11    66     1.09835   110.93725    64.32094
   75    69 S   OH5  _O39    73     1.42617   109.67954   171.60614
   76    75 S   HO   _H22    74     0.97257   108.17068   -57.72079
   77    61 S   OS1  _O37    67     1.42875   110.86060   -70.15589
   78    73 S   CT   _C18    68     1.52984   111.52965  -174.87073
   79    78 S   HC   _H19    69     1.09504   110.99428    69.93383
   80    78 S   HC   _H20    70     1.09394   111.59461   -52.49189
   81    78 S   OH5  _O38    71     1.42498   109.03367  -171.39705
   82    81 S   HO   _H21    72     0.97235   107.04431  -177.11833
  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
  17   8   2   1   1  15   7  15   8  15   6   3   2   1   4   1
   9   5   5   1   6   2   6   8   4   3   1   8  13   6  12   7
  13   7   4   1  12   7   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    58    40    41    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    49    56    58    59    40    41    43    44    45    46    51    47    48  
   38    39    42    58    40    41    43    47  
   36    37  
   37  
    0  
   39    42    49    50    53    56    58    59    40    41    43    51    52    47    48  
   42    49    58    40    51    47    48  
   41    43    44    45    46    60    51    47    42    49    55    56    57    58    59  
   43    44    45    46    42    56    58    59  
   49    50    53    54    55    56    57    58    59    43    60    51    52    47    48  
   44    45    46    56    58    59  
   45    46    58  
   46    58  
   58  
   48    49    51    58  
    0  
   50    53    54    55    56    58    59    51    52  
   53    54    55    58    51  
   52    53    56    58    59  
   58  
   54    55    56    57    58    60  
   55    56  
   56    57    58    59    60    61  
   57    58    59    60    61    62    63    77  
   58    59    60    61  
   59    60    61  
   60  
   61    62    63    64    65    73    77    67  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   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   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    47   320.000  1.410
   42    49   317.000  1.510
   42    58   268.000  1.529
   42    51   320.000  1.410
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   340.000  1.080
   53    55   440.000  1.360
   55    56   320.000  1.380
   56    57   340.000  1.090
   56    58   250.000  1.527
   56    60   320.000  1.380
   58    59   340.000  1.090
   58    40   268.000  1.529
   40    41   570.000  1.307
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   60    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   51    52   553.000  0.945
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    47    50.00000  109.50000
   33    40    58    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    43    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    49    70.00000  112.02700
   38    42    58    58.35000  112.70000
   38    42    51    50.00000  109.50000
   38    47    48    55.00000  108.50000
   42    38    39    37.50000  110.70000
   42    49    50    35.00000  117.00000
   42    49    53    70.00000  124.00000
   42    58    56    75.00000  109.43000
   42    58    59    37.50000  110.70000
   42    58    40    58.35000  112.70000
   42    51    52    55.00000  108.50000
   49    53    54    35.00000  120.00000
   49    53    55    80.00000  120.01400
   53    49    50    35.00000  120.00000
   53    55    56    85.00000  113.97000
   55    53    54    55.00000  109.52600
   55    56    57    35.00000  109.50000
   55    56    58    90.00000  108.56700
   55    56    60    92.60000  111.55000
   56    58    59    45.00000  108.72000
   56    58    40    75.00000  109.43000
   56    60    61    90.00000  112.10700
   58    42    49    70.00000  112.02700
   58    56    57    45.00000  112.01100
   58    40    41    50.00000  109.50000
   58    40    43    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    58    59    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   43    40    41    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    58    90.00000  108.56700
   60    61    62    60.00000  105.75400
   60    61    63    90.00000  109.70700
   60    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   51    42    49    90.00000  110.39200
   51    42    58    50.00000  109.50000
   47    38    39    35.00000  109.50000
   47    38    42    50.00000  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    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
   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    58   0.44750  1.0 1.0
   29    33    40    58  -0.17800 -1.0 2.0
   29    33    40    58   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    38    42    49   0.34400  1.0 1.0
   33    38    42    49   0.09450 -1.0 2.0
   33    38    42    49   0.11100  1.0 3.0
   33    38   -42    58   0.56750  1.0 1.0
   33    38   -42    58  -0.07550 -1.0 2.0
   33    38   -42    58   0.20000  1.0 3.0
   33    38    42    51   0.86500  1.0 1.0
   33    38    42    51  -0.17500 -1.0 2.0
   33    38    42    51   0.20800  1.0 3.0
   33    38    47    48  -0.11600  1.0 1.0
   33    38    47    48  -0.09450 -1.0 2.0
   33    38    47    48   0.21250  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    47   0.23400  1.0 3.0
   34    33    40    58   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33   -40    58   0.56750  1.0 1.0
   38    33   -40    58  -0.07550 -1.0 2.0
   38    33   -40    58   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    42    49    50   0.00000  1.0 1.0
   38    42    49    53   0.09850  1.0 1.0
   38    42    49    53   0.15250 -1.0 2.0
   38    42    49    53  -0.50650  1.0 3.0
   38    42    58    56   3.97050  1.0 1.0
   38    42    58    59   0.15000  1.0 3.0
   38    42   -58    40   0.56750  1.0 1.0
   38    42   -58    40  -0.07550 -1.0 2.0
   38    42   -58    40   0.20000  1.0 3.0
   38    42    51    52  -0.11600  1.0 1.0
   38    42    51    52  -0.09450 -1.0 2.0
   38    42    51    52   0.21250  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    58   0.15000  1.0 3.0
   39    38    42    51   0.23400  1.0 3.0
   39    38    47    48   0.19450  1.0 3.0
   42    38    47    48  -0.11600  1.0 1.0
   42    38    47    48  -0.09450 -1.0 2.0
   42    38    47    48   0.21250  1.0 3.0
   42    49    53    54   7.00000 -1.0 2.0
   42    49    53    55   7.00000 -1.0 2.0
   42    58   -40    33   0.56750  1.0 1.0
   42    58   -40    33  -0.07550 -1.0 2.0
   42    58   -40    33   0.20000  1.0 3.0
   42    58    40    41   0.62750  1.0 1.0
   42    58    40    41  -0.30950 -1.0 2.0
   42    58    40    41   0.27300  1.0 3.0
   42    58    40    43   0.56750  1.0 1.0
   42    58    40    43  -0.07550 -1.0 2.0
   42    58    40    43   0.20000  1.0 3.0
   49    42    58    56   0.34400  1.0 1.0
   49    42    58    56   0.09450 -1.0 2.0
   49    42    58    56   0.11100  1.0 3.0
   49    42    58    59   0.15000  1.0 3.0
   49    42    58    40   0.34400  1.0 1.0
   49    42    58    40   0.09450 -1.0 2.0
   49    42    58    40   0.11100  1.0 3.0
   49    42    51    52  -0.07800  1.0 1.0
   49    42    51    52  -0.21500 -1.0 2.0
   49    42    51    52  -0.03150  1.0 3.0
   49    53   -55    56  -2.26850  1.0 1.0
   49    53   -55    56   3.39050 -1.0 2.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    55   7.00000 -1.0 2.0
   53    55    56    57   0.08050  1.0 3.0
   53    55    56    58  -0.46850  1.0 1.0
   53    55    56    58   0.09300 -1.0 2.0
   53    55    56    58  -0.12850  1.0 3.0
   53    55    56    60  -0.48150  1.0 1.0
   53    55    56    60   0.09250 -1.0 2.0
   53    55    56    60  -0.12850  1.0 3.0
   54    53    55    56   0.50000 -1.0 2.0
   55    56   -58    42   0.62750  1.0 1.0
   55    56   -58    42  -0.30950 -1.0 2.0
   55    56   -58    42   0.27300  1.0 3.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    40   0.62750  1.0 1.0
   55    56    58    40  -0.30950 -1.0 2.0
   55    56    58    40   0.27300  1.0 3.0
   55    56    60    61  -0.53350  1.0 1.0
   55    56    60    61  -0.78350 -1.0 2.0
   55    56    60    61   0.33750  1.0 3.0
   56    58    40    33   3.97050  1.0 1.0
   56    58    40    41   0.62750  1.0 1.0
   56    58    40    41  -0.30950 -1.0 2.0
   56    58    40    41   0.27300  1.0 3.0
   56    58    40    43   3.97050  1.0 1.0
   56    60    61    62   0.37050  1.0 3.0
   56    60    61    63   0.06250  1.0 1.0
   56    60    61    63  -0.01100 -1.0 2.0
   56    60    61    63   0.28050  1.0 3.0
   56    60    61    77  -0.12700  1.0 1.0
   56    60    61    77  -1.16200 -1.0 2.0
   56    60    61    77   0.58800  1.0 3.0
   57    56    58    42   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    40   0.15000  1.0 3.0
   57    56    60    61   0.37050  1.0 3.0
   58    42    49    50   0.00000  1.0 1.0
   58    42   -49    53   0.09850  1.0 1.0
   58    42   -49    53   0.15250 -1.0 2.0
   58    42   -49    53  -0.50650  1.0 3.0
   58    42    51    52  -0.11600  1.0 1.0
   58    42    51    52  -0.09450 -1.0 2.0
   58    42    51    52   0.21250  1.0 3.0
   58    56    60    61   0.06250  1.0 1.0
   58    56    60    61  -0.01100 -1.0 2.0
   58    56    60    61   0.28050  1.0 3.0
   58    40    43    44   0.15000  1.0 3.0
   58    40    43    45   0.15000  1.0 3.0
   58    40    43    46   0.15000  1.0 3.0
   59    58    40    33   0.15000  1.0 3.0
   59    58    40    41   0.23400  1.0 3.0
   59    58    40    43   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    47   0.86500  1.0 1.0
   40    33    38    47  -0.17500 -1.0 2.0
   40    33    38    47   0.20800  1.0 3.0
   41    40    43    44   0.23400  1.0 3.0
   41    40    43    45   0.23400  1.0 3.0
   41    40    43    46   0.23400  1.0 3.0
   60    56    58    42   0.62750  1.0 1.0
   60    56    58    42  -0.30950 -1.0 2.0
   60    56    58    42   0.27300  1.0 3.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    40   0.62750  1.0 1.0
   60    56    58    40  -0.30950 -1.0 2.0
   60    56    58    40   0.27300  1.0 3.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.62750  1.0 1.0
   60    61    63    65  -0.30950 -1.0 2.0
   60    61    63    65   0.27300  1.0 3.0
   60    61    63    67   1.51850  1.0 1.0
   60    61    77    73  -0.70400  1.0 1.0
   60    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   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    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   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    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   51    42    49    50   0.00000  1.0 1.0
   51    42    49    53   0.67800  1.0 1.0
   51    42    49    53   0.47050 -1.0 2.0
   51    42    49    53  -0.62500  1.0 3.0
   51    42    58    56   0.86500  1.0 1.0
   51    42    58    56  -0.17500 -1.0 2.0
   51    42    58    56   0.20800  1.0 3.0
   51    42    58    59   0.23400  1.0 3.0
   51    42    58    40   0.86500  1.0 1.0
   51    42    58    40  -0.17500 -1.0 2.0
   51    42    58    40   0.20800  1.0 3.0
   47    38    42    49   1.05650  1.0 1.0
   47    38    42    49   0.15600 -1.0 2.0
   47    38    42    49   0.53150  1.0 3.0
   47    38    42    58   0.86500  1.0 1.0
   47    38    42    58  -0.17500 -1.0 2.0
   47    38    42    58   0.20800  1.0 3.0
   47    38    42    51   3.75450  1.0 1.0
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
   42    50    49    53   1.10000 -1.0 2.0
   55    54    53    49   1.10000 -1.0 2.0
END
