* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    256     479
    1     0 S   NP   _N1_     1    33.06751   101.51050   -19.80875
    2     1 S   H    _HN1     2     1.02860    55.88431  -116.15898
    3     1 S   H    _H1_     3     1.02731    91.94971   134.15130
    4     1 S   H    _H2_     4     1.03470   158.23362   -70.70951
    5     1 S   CT   _CA1     5     1.50199    67.14714    22.11290
    6     5 S   HC   _HA1     6     1.09480   104.94270   139.04123
    7     5 S   CO3  _C1_     7     1.53728   113.33098    18.41493
    8     7 S   O2Z  _O11     8     1.26437   115.07066   -28.90489
    9     7 S   O2Z  _O12     9     1.26241   115.15123   150.62933
   10     5 S   CT   _CB1    10     1.52936   107.30483  -102.47215
   11    10 S   HC   HB11    11     1.09492   109.26658   -40.41378
   12    10 S   HC   HB12    12     1.09837   110.51199    75.16331
   13    10 S   CT   _CG1    13     1.53200   113.23936  -162.68207
   14    13 S   HC   HG11    14     1.09529   110.99322   -89.30182
   15    13 S   HC   HG12    15     1.09592   111.50276    30.20963
   16    13 S   C    _CD1    16     1.51514   109.29448   150.40072
   17    16 S   O    _OE1    17     1.22771   122.10184    94.26787
   18    16 S   N    _N2_    18     1.38525   112.31846   -82.63557
   19    18 S   H    _HN2    19     1.01680   118.73002    -4.14198
   20    18 S   CT1  _CA2    20     1.45914   123.13981   171.17686
   21    20 S   HC   _HA2    21     1.09701   108.76833    27.21060
   22    20 S   C    _C2_    22     1.53344   109.19791   -89.11610
   23    22 S   O    _O2_    23     1.23144   120.99991   155.42158
   24    20 S   CT   _CB2    32     1.53181   111.91104   150.58529
   25    24 S   HC   HB21    33     1.09355   110.13569    56.22178
   26    24 S   HC   HB22    34     1.09574   110.03357   173.53929
   27    22 S   N    _N3_    24     1.38300   114.73126   -31.90502
   28    27 S   H    _HN3    25     1.01492   119.40636     4.74086
   29    24 S   S    _SG2    35     1.83187   111.32502   -68.09046
   30    27 S   CT   _CA3    26     1.45320   123.04954  -178.59612
   31    30 S   HC   HA31    27     1.09543   108.02430   -54.17005
   32    30 S   HC   HA32    28     1.09570   107.38860    62.01861
   33    29 S   CT   _C20    36     1.86164   101.67958   125.24757
   34    30 S   CO3  _C3_    29     1.52986   114.00897  -175.52105
   35    34 S   O2Z  _O31    30     1.26428   115.99155    25.86529
   36    34 S   O2Z  _O32    31     1.26342   114.63740  -154.17313
   37    33 S   CM   _C19    37     1.52081   107.76328   -64.10148
   38    37 S   HC   _H17    38     1.09657   111.46305   -62.65763
   39    33 S   CT   _C21    78     1.53197   108.65166    65.76839
   40    39 S   HC   _H18    79     1.09728   111.46949    59.86683
   41    39 S   HC   _H19    80     1.09618   110.77075   178.31856
   42    39 S   HC   _H20    81     1.09290   112.85525   -60.26947
   43    33 S   CT   _C22    82     1.54314   106.19177  -178.98625
   44    43 S   HC   _H21    83     1.09702   111.87608   -61.20043
   45    43 S   HC   _H22    84     1.09737   112.39383    59.92771
   46    43 S   HC   _H23    85     1.09732   110.63973   179.50901
   47    37 S   CMA  _C18    39     1.35803   133.74698   116.89716
   48    47 S   OM   _O38    40     1.26874   121.84721  -179.13566
   49    47 S   OS   _O37    41     1.41561   113.28824    -0.09487
   50    49 S   CT   _C11    42     1.45619   118.07084  -177.40663
   51    50 S   HC   _H5_    43     1.09842   108.17025   -32.55057
   52    50 S   CT   _C12    44     1.55126   107.92527    85.06077
   53    52 S   HC   _H6_    45     1.09827   107.47164   -30.96069
   54    50 S   CT   _C10    64     1.54698   108.57760  -146.24755
   55    52 S   CM   _C16    46     1.49751   113.50159  -150.42783
   56    54 S   CT   _C23    65     1.54540   113.27686   177.30783
   57    56 S   HC   _H24    66     1.08667   113.48916    76.21361
   58    56 S   HC   _H25    67     1.09648   110.64925   -45.43264
   59    56 S   HC   _H26    68     1.09714   112.32761  -163.90052
   60    55 S   CO4  _C15    47     1.47533   109.94348  -112.34217
   61    60 S   O    _O36    48     1.21733   127.18778   172.40508
   62    55 S   CM   _C17    75     1.33614   128.37804    69.59575
   63    62 S   HC   _H15    76     1.08469   120.74774    -0.88779
   64    62 S   HC   _H16    77     1.08480   121.77171   178.80253
   65    60 S   OS   _O35    49     1.36255   106.81807    -4.91187
   66    52 S   CT   _C13    50     1.52748   121.72239    91.09532
   67    66 S   HC   _H7_    51     1.10029   106.77742  -149.41424
   68    66 S   CT   _C14    52     1.53369   121.47744   -28.39536
   69    68 S   HC   _H8_    53     1.09671   109.08632   -53.56673
   70    68 S   CT   _C5_    54     1.55653   117.59405    71.80762
   71    70 S   HC   _H3_    55     1.09511   109.75136    49.32410
   72    68 S   OH   _O34    73     1.43932   106.26991  -167.36227
   73    72 S   HO   _H14    74     0.97267   107.90872    61.10999
   74    70 S   CT   _C6_    56     1.54165   109.55675   -73.20088
   75    74 S   HC   _H4_    57     1.09569   105.06851   -50.93456
   76    70 S   CT   _C4_    69     1.54372   109.86814   165.03320
   77    76 S   HC   _H9_    70     1.09531   111.19121    62.71935
   78    76 S   HC   _H10    71     1.09480   111.69411   -58.15636
   79    76 S   HC   _H11    72     1.09412   111.35667  -176.18156
   80    74 S   CM   _C7_    58     1.50962   119.92040  -165.52326
   81    80 S   HC   _H12    59     1.08119   123.97939    35.07005
   82    80 S   CM   _C8_    60     1.33582   113.64249  -153.91623
   83    82 S   HC   _H13    61     1.07496   129.04688  -173.95941
   84    82 S   CO4  _C9_    62     1.47407   105.16566     6.90049
   85    84 S   O    _O33    63     1.22141   122.62276  -171.07045
  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  12   5   4   3
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
  10  22   8  18   8  18   9  10   4   3   2   8   3   4   1   1
   6   9   4  12   6  13   8   3   1  11   5   4   2   1   1   5
   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    54  
   49    50  
   50    51    52    53    55    66    74    84    54    56  
   51    52    53    55    60    65    66    67    68    70    74    75    80    82    84    85    54    56    57    58    59    62  
   52    53    55    66    74    84    54    56  
   53    55    60    61    65    66    67    68    69    70    74    84    54    56    72    62    63    64  
   55    60    65    66    67    68    54    62  
   56    57    58    59    76    55    66    68    70    71    74    75    80    81    82    83    84    85  
   60    61    65    66    67    68    62    63    64  
   57    58    59    70    74    75    80    82    84    85  
   58    59    74    84  
   59    74    84  
   74    84  
   61    65    66    67    68    62    63    64  
   65    66    62  
   63    64    65    66  
   64  
    0  
   66    67    68    69    70    72  
   67    68    69    70    71    74    76    72    73  
   68    69    70    72  
   69    70    71    74    75    80    76    77    78    79    72    73  
   70    71    74    76    72    73  
   71    74    75    80    81    82    84    76    77    78    79    72    73  
   74    75    80    76    77    78    79    72  
   73    74    76  
    0  
   75    80    81    82    83    84    85    76    77    78    79  
   80    81    82    84    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83    84    85  
   82    83    84  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   317.000  1.510
   52    66   268.000  1.529
   55    60   320.000  1.462
   55    62   549.000  1.340
   60    61   570.000  1.229
   60    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   268.000  1.529
   74    75   340.000  1.090
   74    80   317.000  1.510
   74    54   268.000  1.529
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   340.000  1.080
   82    84   320.000  1.462
   84    85   570.000  1.229
   84    54   317.000  1.522
   54    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   72    73   553.000  0.945
   62    63   340.000  1.080
   62    64   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    55    70.00000  112.02700
   50    52    66    58.35000  112.70000
   50    54    74    58.35000  112.70000
   50    54    84    63.00000  111.10000
   50    54    56    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    60    65.00000  116.34900
   52    55    62    70.00000  124.00000
   52    66    65    50.00000  109.50000
   52    66    67    37.50000  110.70000
   52    66    68    58.35000  112.70000
   55    52    53    35.00000  109.50000
   55    60    61    80.00000  123.72100
   55    60    65    90.00000  111.29400
   55    62    63    35.00000  120.00000
   55    62    64    35.00000  120.00000
   60    65    66    83.00000  116.90000
   65    60    61    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    50.00000  109.50000
   66    52    53    37.50000  110.70000
   66    52    55    70.00000  112.02700
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    72    50.00000  109.50000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    58.35000  112.70000
   68    72    73    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    80    70.00000  112.02700
   70    74    54    58.35000  112.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   74    70    71    37.50000  110.70000
   74    80    81    35.00000  117.00000
   74    80    82    70.00000  124.00000
   74    54    84    63.00000  111.10000
   74    54    56    58.35000  112.70000
   80    74    75    35.00000  109.50000
   80    82    83    35.00000  120.00000
   80    82    84    65.00000  118.96000
   82    80    81    35.00000  120.00000
   82    84    85    80.00000  123.72100
   82    84    54    65.00000  118.62400
   84    82    83    40.00000  117.72500
   84    54    56    63.00000  111.10000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    74    75    37.50000  110.70000
   54    74    80    70.00000  112.02700
   54    84    85    80.00000  120.40000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   62    55    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.46850  1.0 1.0
   47    49    50    52   0.09300 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    54  -0.46850  1.0 1.0
   47    49    50    54   0.09300 -1.0 2.0
   47    49    50    54  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    55   0.61850  1.0 1.0
   49    50    52    55  -0.22750 -1.0 2.0
   49    50    52    55   0.15300  1.0 3.0
   49    50    52    66   0.62750  1.0 1.0
   49    50    52    66  -0.30950 -1.0 2.0
   49    50    52    66   0.27300  1.0 3.0
   49    50    54    74   0.62750  1.0 1.0
   49    50    54    74  -0.30950 -1.0 2.0
   49    50    54    74   0.27300  1.0 3.0
   49    50    54    84  -0.09450  1.0 1.0
   49    50    54    84  -1.12950 -1.0 2.0
   49    50    54    84   0.54000  1.0 3.0
   49    50    54    56   0.62750  1.0 1.0
   49    50    54    56  -0.30950 -1.0 2.0
   49    50    54    56   0.27300  1.0 3.0
   50    52    55    60   0.09700  1.0 1.0
   50    52    55    60   0.15600 -1.0 2.0
   50    52    55    60  -0.50800  1.0 3.0
   50    52    55    62   0.09850  1.0 1.0
   50    52    55    62   0.15250 -1.0 2.0
   50    52    55    62  -0.50650  1.0 3.0
   50    52    66    65   0.62750  1.0 1.0
   50    52    66    65  -0.30950 -1.0 2.0
   50    52    66    65   0.27300  1.0 3.0
   50    52    66    67   0.15000  1.0 3.0
   50    52    66    68   0.56750  1.0 1.0
   50    52    66    68  -0.07550 -1.0 2.0
   50    52    66    68   0.20000  1.0 3.0
   50    54    56    57   0.15000  1.0 3.0
   50    54    56    58   0.15000  1.0 3.0
   50    54    56    59   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    66   0.15000  1.0 3.0
   51    50    54    74   0.15000  1.0 3.0
   51    50    54    84  -0.11250  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   52    50    54    74   0.56750  1.0 1.0
   52    50    54    74  -0.07550 -1.0 2.0
   52    50    54    74   0.20000  1.0 3.0
   52    50    54    84  -0.95700  1.0 1.0
   52    50    54    84  -0.18200 -1.0 2.0
   52    50    54    84   0.29450  1.0 3.0
   52    50    54    56   0.56750  1.0 1.0
   52    50    54    56  -0.07550 -1.0 2.0
   52    50    54    56   0.20000  1.0 3.0
   52    55    60    61  -0.64400  1.0 1.0
   52    55    60    61   0.26850 -1.0 2.0
   52    55   -60    65  -0.15000  1.0 1.0
   52    55   -60    65   0.89550 -1.0 2.0
   52    55   -60    65  -0.06900  1.0 3.0
   52    55    62    63   7.00000 -1.0 2.0
   52    55    62    64   7.00000 -1.0 2.0
   52    66    68    69   0.15000  1.0 3.0
   52    66    68    70   0.56750  1.0 1.0
   52    66    68    70  -0.07550 -1.0 2.0
   52    66    68    70   0.20000  1.0 3.0
   52    66    68    72   0.86500  1.0 1.0
   52    66    68    72  -0.17500 -1.0 2.0
   52    66    68    72   0.20800  1.0 3.0
   53    52    55    60   0.15000  1.0 3.0
   53    52    55    62   0.00000  1.0 1.0
   53    52    66    65   0.23400  1.0 3.0
   53    52    66    67   0.15000  1.0 3.0
   53    52    66    68   0.15000  1.0 3.0
   55    52   -66    65   0.61850  1.0 1.0
   55    52   -66    65  -0.22750 -1.0 2.0
   55    52   -66    65   0.15300  1.0 3.0
   55    52    66    67   0.15000  1.0 3.0
   55    52    66    68   0.34400  1.0 1.0
   55    52    66    68   0.09450 -1.0 2.0
   55    52    66    68   0.11100  1.0 3.0
   55    60   -65    66   2.00000 -1.0 2.0
   60    55    62    63   7.00000 -1.0 2.0
   60    55    62    64   7.00000 -1.0 2.0
   60    65   -66    52  -0.25900  1.0 1.0
   60    65   -66    52  -0.47000 -1.0 2.0
   60    65   -66    52   0.11750  1.0 3.0
   60    65    66    67   0.08050  1.0 3.0
   60    65    66    68  -0.25900  1.0 1.0
   60    65    66    68  -0.47000 -1.0 2.0
   60    65    66    68   0.11750  1.0 3.0
   61    60    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.62750  1.0 1.0
   65    66    68    70  -0.30950 -1.0 2.0
   65    66    68    70   0.27300  1.0 3.0
   65    66    68    72   3.69350  1.0 1.0
   65    66    68    72  -1.82950 -1.0 2.0
   66    52   -55    60   0.09700  1.0 1.0
   66    52   -55    60   0.15600 -1.0 2.0
   66    52   -55    60  -0.50800  1.0 3.0
   66    52    55    62   0.09850  1.0 1.0
   66    52    55    62   0.15250 -1.0 2.0
   66    52    55    62  -0.50650  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    74   0.56750  1.0 1.0
   66    68    70    74  -0.07550 -1.0 2.0
   66    68    70    74   0.20000  1.0 3.0
   66    68    70    76   0.56750  1.0 1.0
   66    68    70    76  -0.07550 -1.0 2.0
   66    68    70    76   0.20000  1.0 3.0
   66    68    72    73  -0.11600  1.0 1.0
   66    68    72    73  -0.09450 -1.0 2.0
   66    68    72    73   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70    74    80   0.34400  1.0 1.0
   68    70    74    80   0.09450 -1.0 2.0
   68    70    74    80   0.11100  1.0 3.0
   68    70    74    54   0.56750  1.0 1.0
   68    70    74    54  -0.07550 -1.0 2.0
   68    70    74    54   0.20000  1.0 3.0
   68    70    76    77   0.15000  1.0 3.0
   68    70    76    78   0.15000  1.0 3.0
   68    70    76    79   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.15000  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73  -0.11600  1.0 1.0
   70    68    72    73  -0.09450 -1.0 2.0
   70    68    72    73   0.21250  1.0 3.0
   70    74    80    81   0.00000  1.0 1.0
   70    74    80    82   0.09850  1.0 1.0
   70    74    80    82   0.15250 -1.0 2.0
   70    74    80    82  -0.50650  1.0 3.0
   70    74    54    50   0.56750  1.0 1.0
   70    74    54    50  -0.07550 -1.0 2.0
   70    74    54    50   0.20000  1.0 3.0
   70    74    54    84  -0.95700  1.0 1.0
   70    74    54    84  -0.18200 -1.0 2.0
   70    74    54    84   0.29450  1.0 3.0
   70    74    54    56   0.56750  1.0 1.0
   70    74    54    56  -0.07550 -1.0 2.0
   70    74    54    56   0.20000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    80   0.15000  1.0 3.0
   71    70    74    54   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   74    70    76    77   0.15000  1.0 3.0
   74    70    76    78   0.15000  1.0 3.0
   74    70    76    79   0.15000  1.0 3.0
   74    80    82    83   7.00000 -1.0 2.0
   74    80   -82    84   7.00000 -1.0 2.0
   74    54    56    57   0.15000  1.0 3.0
   74    54    56    58   0.15000  1.0 3.0
   74    54    56    59   0.15000  1.0 3.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.00000  1.0 1.0
   75    74    54    50   0.15000  1.0 3.0
   75    74    54    84  -0.11250  1.0 3.0
   75    74    54    56   0.15000  1.0 3.0
   80    74    54    50   0.34400  1.0 1.0
   80    74    54    50   0.09450 -1.0 2.0
   80    74    54    50   0.11100  1.0 3.0
   80    74   -54    84  -0.98800  1.0 1.0
   80    74   -54    84   0.48800 -1.0 2.0
   80    74   -54    84   0.76800  1.0 3.0
   80    74    54    56   0.34400  1.0 1.0
   80    74    54    56   0.09450 -1.0 2.0
   80    74    54    56   0.11100  1.0 3.0
   80    82    84    85   1.00000 -1.0 2.0
   80    82   -84    54  -0.33500  1.0 1.0
   80    82   -84    54   1.06600 -1.0 2.0
   80    82   -84    54  -0.14000  1.0 3.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    84   7.00000 -1.0 2.0
   82    84    54    50   0.65300  1.0 1.0
   82    84    54    50  -0.03850 -1.0 2.0
   82    84    54    50   0.33900  1.0 3.0
   82    84   -54    74   0.65300  1.0 1.0
   82    84   -54    74  -0.03850 -1.0 2.0
   82    84   -54    74   0.33900  1.0 3.0
   82    84    54    56   0.65300  1.0 1.0
   82    84    54    56  -0.03850 -1.0 2.0
   82    84    54    56   0.33900  1.0 3.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    54   0.04550  1.0 1.0
   83    82    84    54   0.83000 -1.0 2.0
   83    82    84    54  -0.04000  1.0 3.0
   84    54    56    57  -0.11250  1.0 3.0
   84    54    56    58  -0.11250  1.0 3.0
   84    54    56    59  -0.11250  1.0 3.0
   85    84    54    50   0.30150 -1.0 2.0
   85    84    54    74   0.30150 -1.0 2.0
   85    84    54    56   0.30150 -1.0 2.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    55   0.34400  1.0 1.0
   54    50    52    55   0.09450 -1.0 2.0
   54    50    52    55   0.11100  1.0 3.0
   54    50    52    66   0.56750  1.0 1.0
   54    50    52    66  -0.07550 -1.0 2.0
   54    50    52    66   0.20000  1.0 3.0
   54    74    80    81   0.00000  1.0 1.0
   54    74   -80    82   0.09850  1.0 1.0
   54    74   -80    82   0.15250 -1.0 2.0
   54    74   -80    82  -0.50650  1.0 3.0
   76    70    74    75   0.15000  1.0 3.0
   76    70    74    80   0.34400  1.0 1.0
   76    70    74    80   0.09450 -1.0 2.0
   76    70    74    80   0.11100  1.0 3.0
   76    70    74    54   0.56750  1.0 1.0
   76    70    74    54  -0.07550 -1.0 2.0
   76    70    74    54   0.20000  1.0 3.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74   0.86500  1.0 1.0
   72    68    70    74  -0.17500 -1.0 2.0
   72    68    70    74   0.20800  1.0 3.0
   72    68    70    76   0.86500  1.0 1.0
   72    68    70    76  -0.17500 -1.0 2.0
   72    68    70    76   0.20800  1.0 3.0
   62    55    60    61   1.00000 -1.0 2.0
   62    55    60    65  -0.56150  1.0 1.0
   62    55    60    65   2.19150 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   52    60    55    62   1.10000 -1.0 2.0
   55    65    60    61  10.50000 -1.0 2.0
   74    81    80    82   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   82    54    84    85  10.50000 -1.0 2.0
   63    64    62    55   1.10000 -1.0 2.0
END
