* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    160    259     478
    1     0 S   NP   _N1_     1    28.75568    98.10640   -23.28688
    2     1 S   H    _HN1     2     1.02949    61.57041    13.10829
    3     1 S   H    _H1_     3     1.02829    48.80672   169.69210
    4     1 S   H    _H2_     4     1.02790   105.36820   -89.77471
    5     1 S   CT   _CA1     5     1.50120   141.87484   100.36683
    6     5 S   HC   _HA1     6     1.09575   105.17360   108.10995
    7     5 S   CO3  _C1_     7     1.53778   112.48832   -12.09404
    8     7 S   O2Z  _O11     8     1.26373   115.00431   -41.96515
    9     7 S   O2Z  _O12     9     1.26242   114.94332   137.12094
   10     5 S   CT   _CB1    10     1.53073   107.41246  -133.91810
   11    10 S   HC   HB11    11     1.09837   109.33320   -49.60973
   12    10 S   HC   HB12    12     1.09813   110.46612    66.99229
   13    10 S   CT   _CG1    13     1.53000   112.62410  -170.57498
   14    13 S   HC   HG11    14     1.09577   110.66834   -66.74431
   15    13 S   HC   HG12    15     1.09673   109.74449    52.49183
   16    13 S   C    _CD1    16     1.51806   112.15287   172.93692
   17    16 S   O    _OE1    17     1.22739   123.24494     9.16371
   18    16 S   N    _N2_    18     1.38649   111.71676  -170.83550
   19    18 S   H    _HN2    19     1.01573   118.96074     1.42299
   20    18 S   CT1  _CA2    20     1.46238   123.42885   176.96675
   21    20 S   HC   _HA2    21     1.09740   109.31299     5.60385
   22    20 S   C    _C2_    22     1.53642   108.72935  -109.85193
   23    22 S   O    _O2_    23     1.23067   122.28941  -148.66545
   24    20 S   CT   _CB2    32     1.53377   111.56112   127.59921
   25    24 S   HC   HB21    33     1.09568   109.98017    56.19597
   26    24 S   HC   HB22    34     1.09391   109.88363   175.19796
   27    22 S   N    _N3_    24     1.38336   113.79818    38.83949
   28    27 S   H    _HN3    25     1.01557   119.59479    -3.23991
   29    24 S   S    _SG2    35     1.82826   111.30008   -64.85562
   30    27 S   CT   _CA3    26     1.45284   123.26624   177.19167
   31    30 S   HC   HA31    27     1.09548   107.50629   -64.86665
   32    30 S   HC   HA32    28     1.09556   108.00086    51.58969
   33    29 S   CT   _C14    36     1.85644   100.04953   169.61649
   34    33 S   HC   _H7_    37     1.10116   100.74280   -49.17010
   35    30 S   CO3  _C3_    29     1.52975   114.04513   173.58638
   36    35 S   O2Z  _O31    30     1.26382   116.06723    -0.67637
   37    35 S   O2Z  _O32    31     1.26426   114.41779   179.38834
   38    33 S   CT   _C15    38     1.57651   115.29131    67.97022
   39    38 S   OM   _O35    39     1.33028   105.87358  -156.51133
   40    38 S   HC   _H8_    40     1.09856   106.87834   -31.53547
   41    38 S   CT   _C16    41     1.59538   111.87203    83.77087
   42    41 S   CM   _C17    42     1.55651   118.06271   175.75264
   43    41 S   CT   _C11    55     1.58005   108.86690    55.94788
   44    43 S   HC   _H5_    56     1.09987   108.74192    68.34802
   45    41 S   CT   _C20    79     1.56945   106.90250   -69.60874
   46    45 S   HC   _H18    80     1.08710   113.46379    69.54178
   47    45 S   HC   _H19    81     1.09768   110.52323   -51.36471
   48    45 S   HC   _H20    82     1.09505   114.22490  -170.15529
   49    42 S   CM   _C18    43     1.34172   124.79147    12.17547
   50    49 S   HC   _H17    44     1.08352   122.23422    -1.16332
   51    43 S   CT   _C12    57     1.53001   115.68395   -56.20212
   52    49 S   CO4  _C19    45     1.47084   122.32048  -177.69081
   53    52 S   O    _O33    46     1.22569   121.00420   169.91954
   54    51 S   CO4  _C21    58     1.51972    99.48212   -83.12629
   55    54 S   O    _O37    59     1.22079   126.55256   156.97316
   56    33 S   CT   _C13    61     1.55231   111.70826  -160.46068
   57    56 S   HC   _H6_    62     1.10018   103.38762   148.00714
   58    51 S   CT   _C22    65     1.55434   112.19922   166.38194
   59    58 S   HC   _H22    66     1.09573   110.92402   -58.02285
   60    58 S   HC   _H23    67     1.09643   110.99410  -177.95263
   61    58 S   HC   _H24    68     1.09495   113.27116    63.19108
   62    52 S   OS   _O34    47     1.35296   116.46216    -8.02248
   63    81 S   OS   _O38    60     1.43704   113.66178  -114.99569
   64    56 S   OH   _O36    63     1.42868   112.14392    37.34259
   65    64 S   HO   _H21    64     0.97377   106.88922   -62.58576
   66    62 S   CT   _C7_    48     1.45171   121.00990   -19.28691
   67    66 S   HC   _H3_    49     1.09981   106.18947   -72.03088
   68    42 S   CM   _C8_    50     1.47237   115.41208  -171.90961
   69    66 S   CT   _C5_    69     1.55323   107.11660   173.44148
   70    69 S   HC   _H12    70     1.09667   109.22695  -179.76845
   71    68 S   CM   _C9_    51     1.34902   120.70753    17.59295
   72    71 S   HC   _H16    52     1.08504   120.87060  -174.58116
   73    69 S   CT   _C4_    71     1.53395   112.83408   -58.90135
   74    73 S   HC   _H9_    72     1.09520   111.62349    62.38327
   75    73 S   HC   _H10    73     1.09354   111.80531   -58.59411
   76    73 S   HC   _H11    74     1.09560   110.41037  -177.99826
   77    69 S   CT   _C6_    75     1.53547   110.53490    63.13581
   78    77 S   HC   _H13    76     1.09508   111.80749   -63.84684
   79    77 S   HC   _H14    77     1.09543   110.60930   176.01287
   80    77 S   HC   _H15    78     1.09511   110.75060    56.79995
   81    71 S   CT   _C10    53     1.49982   123.73851     8.58719
   82    81 S   HC   _H4_    54     1.09664   106.69409   126.56366
  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
  15   8   2   1   1  17   6   5  20  19  22   9   7   2   1   1
   7   4  14   6   2  12   4   9   3   6   2   1   1   8   5   1
   1  15   6   8  10   8   3   2   7   3   2   1   3   2   1   1
   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    51    56    57    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    51    54    56    57    64    65    58    45  
   38    39    40    41    51    56    57    64  
   36    37  
   37  
    0  
   39    40    41    42    49    68    81    43    44    51    56    57    64    45    46    47    48  
   40    41    42    43    56    45  
   41    42    43    56    45  
   42    49    50    52    66    68    71    81    82    43    44    51    54    63    56    58    45    46    47    48  
   49    50    52    53    62    66    67    68    71    72    81    43    44    51    69    45    46    47    48  
   44    51    54    55    63    56    57    64    58    59    60    61    45    46    47    48    49    68    71    72    81    82  
   51    54    63    56    58    45    71    81    82  
   46    47    48    49    51    68    81  
   47    48  
   48  
    0  
   50    52    53    62    66    68    71  
   52    53    62    68  
   54    55    63    56    57    64    65    58    59    60    61    71    81    82  
   53    62    66    67    68    69  
   62    66  
   55    63    56    57    64    58    59    60    61    71    81    82  
   63    56    58    81  
   57    64    65    58    59    60    61    63    81  
   64    65    58  
   59    60    61    63    64    81  
   60    61  
   61  
    0  
   66    67    68    71    69    70    73    77  
   68    71    72    81    82  
   65  
    0  
   67    68    71    72    81    69    70    73    74    75    76    77    78    79    80  
   68    71    69    70    73    77  
   71    72    81    82    69    70    73    77  
   70    73    74    75    76    77    78    79    80    71  
   73    74    75    76    77    78    79    80  
   72    81    82  
   81    82  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   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   340.000  1.090
   33    38   268.000  1.529
   33    56   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.510
   41    43   268.000  1.529
   41    45   268.000  1.529
   42    49   549.000  1.340
   42    68   380.000  1.444
   49    50   340.000  1.080
   49    52   320.000  1.462
   52    53   570.000  1.229
   52    62   214.000  1.327
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   317.000  1.510
   66    69   268.000  1.529
   68    71   549.000  1.340
   71    72   340.000  1.080
   71    81   317.000  1.510
   81    82   340.000  1.090
   81    43   268.000  1.529
   81    63   320.000  1.410
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    54   317.000  1.522
   51    56   268.000  1.529
   51    58   268.000  1.529
   54    55   570.000  1.229
   54    63   214.000  1.327
   56    57   340.000  1.090
   56    64   320.000  1.410
   64    65   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    51    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.02700
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    42    49    70.00000  124.00000
   41    42    68    70.00000  124.00000
   41    43    81    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    51    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    50    35.00000  120.00000
   42    49    52    65.00000  118.96000
   42    68    66    70.00000  124.00000
   42    68    71    70.00000  123.01800
   49    52    53    80.00000  123.72100
   49    52    62    90.00000  111.29400
   52    49    50    40.00000  117.72500
   52    62    66    83.00000  116.90000
   62    52    53    83.00000  123.40000
   62    66    67    35.00000  109.50000
   62    66    68    85.00000  110.90400
   62    66    69    50.00000  109.50000
   66    68    71    70.00000  124.00000
   66    69    70    37.50000  110.70000
   66    69    73    58.35000  112.70000
   66    69    77    58.35000  112.70000
   68    42    49    70.00000  123.01800
   68    66    67    35.00000  109.50000
   68    71    72    35.00000  120.00000
   68    71    81    70.00000  124.00000
   71    81    82    35.00000  109.50000
   71    81    43    70.00000  112.02700
   71    81    63    85.00000  110.90400
   81    71    72    35.00000  117.00000
   81    43    44    37.50000  110.70000
   81    43    51    58.35000  112.70000
   81    63    54    83.00000  116.90000
   43    41    42    70.00000  112.02700
   43    81    82    37.50000  110.70000
   43    51    54    63.00000  111.10000
   43    51    56    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    80.00000  120.40000
   51    54    63    81.00000  111.40000
   51    56    57    37.50000  110.70000
   51    56    64    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   63    81    82    35.00000  109.50000
   63    81    43    50.00000  109.50000
   63    54    55    83.00000  123.40000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    51    54    63.00000  111.10000
   56    64    65    55.00000  108.50000
   64    56    57    35.00000  109.50000
   58    51    54    63.00000  111.10000
   58    51    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    70.00000  112.02700
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   73    69    70    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   45    41    42    70.00000  112.02700
   45    41    43    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.32350  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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    56    51   0.44750  1.0 1.0
   29    33    56    51  -0.17800 -1.0 2.0
   29    33    56    51   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    64   0.56750  1.0 1.0
   29    33    56    64  -0.07550 -1.0 2.0
   29    33    56    64   0.20000  1.0 3.0
   33    38    41    42   0.34400  1.0 1.0
   33    38    41    42   0.09450 -1.0 2.0
   33    38    41    42   0.11100  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    56    64    65  -0.11600  1.0 1.0
   33    56    64    65  -0.09450 -1.0 2.0
   33    56    64    65   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    56    51   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    64   0.23400  1.0 3.0
   38    33    56    51   0.56750  1.0 1.0
   38    33    56    51  -0.07550 -1.0 2.0
   38    33    56    51   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    64   0.86500  1.0 1.0
   38    33    56    64  -0.17500 -1.0 2.0
   38    33    56    64   0.20800  1.0 3.0
   38    41    42    49   0.09850  1.0 1.0
   38    41    42    49   0.15250 -1.0 2.0
   38    41    42    49  -0.50650  1.0 3.0
   38    41    42    68   0.98200  1.0 1.0
   38    41    42    68  -0.11900 -1.0 2.0
   38    41    42    68   0.24250  1.0 3.0
   38    41    43    81   0.56750  1.0 1.0
   38    41    43    81  -0.07550 -1.0 2.0
   38    41    43    81   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41   -43    51   0.56750  1.0 1.0
   38    41   -43    51  -0.07550 -1.0 2.0
   38    41   -43    51   0.20000  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    48   0.15000  1.0 3.0
   39    38    41    42   0.61850  1.0 1.0
   39    38    41    42  -0.22750 -1.0 2.0
   39    38    41    42   0.15300  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    42    49    50   7.00000 -1.0 2.0
   41    42    49    52   7.00000 -1.0 2.0
   41    42    68    66   0.35650  1.0 1.0
   41    42    68    66   0.31450 -1.0 2.0
   41    42    68    71  -0.18600  1.0 3.0
   41    43    51    54  -0.95700  1.0 1.0
   41    43    51    54  -0.18200 -1.0 2.0
   41    43    51    54   0.29450  1.0 3.0
   41    43    51    56   0.56750  1.0 1.0
   41    43    51    56  -0.07550 -1.0 2.0
   41    43    51    56   0.20000  1.0 3.0
   41    43    51    58   0.56750  1.0 1.0
   41    43    51    58  -0.07550 -1.0 2.0
   41    43    51    58   0.20000  1.0 3.0
   42    41    43    81   0.34400  1.0 1.0
   42    41    43    81   0.09450 -1.0 2.0
   42    41    43    81   0.11100  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    51   0.34400  1.0 1.0
   42    41    43    51   0.09450 -1.0 2.0
   42    41    43    51   0.11100  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
   42    49    52    53   1.00000 -1.0 2.0
   42    49    52    62  -0.56150  1.0 1.0
   42    49    52    62   2.19150 -1.0 2.0
   42    68    71    72   7.00000 -1.0 2.0
   42    68   -71    81   7.00000 -1.0 2.0
   49    42    68    66  -0.18600  1.0 3.0
   49    42    68    71   0.28850  1.0 1.0
   49    42    68    71   2.61350 -1.0 2.0
   49    42    68    71   0.78400  1.0 3.0
   49    52   -62    66   2.00000 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    62   1.63100 -1.0 2.0
   52    62    66    67   0.08050  1.0 3.0
   52    62    66    68  -0.82050  1.0 1.0
   52    62    66    68   0.00600 -1.0 2.0
   52    62    66    68   0.04400  1.0 3.0
   52    62    66    69  -0.25900  1.0 1.0
   52    62    66    69  -0.47000 -1.0 2.0
   52    62    66    69   0.11750  1.0 3.0
   53    52    62    66   3.00000 -1.0 2.0
   62    66   -68    42   0.39000  1.0 1.0
   62    66   -68    42  -0.05800 -1.0 2.0
   62    66   -68    42  -0.55150  1.0 3.0
   62    66    68    71   0.39000  1.0 1.0
   62    66    68    71  -0.05800 -1.0 2.0
   62    66    68    71  -0.55150  1.0 3.0
   62    66    69    70   0.23400  1.0 3.0
   62    66    69    73   0.62750  1.0 1.0
   62    66    69    73  -0.30950 -1.0 2.0
   62    66    69    73   0.27300  1.0 3.0
   62    66    69    77   0.62750  1.0 1.0
   62    66    69    77  -0.30950 -1.0 2.0
   62    66    69    77   0.27300  1.0 3.0
   66    68    71    72   7.00000 -1.0 2.0
   66    68    71    81   7.00000 -1.0 2.0
   66    69    73    74   0.15000  1.0 3.0
   66    69    73    75   0.15000  1.0 3.0
   66    69    73    76   0.15000  1.0 3.0
   66    69    77    78   0.15000  1.0 3.0
   66    69    77    79   0.15000  1.0 3.0
   66    69    77    80   0.15000  1.0 3.0
   67    66    68    42   0.00000  1.0 1.0
   67    66    68    71   0.00000  1.0 1.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    73   0.15000  1.0 3.0
   67    66    69    77   0.15000  1.0 3.0
   68    42    49    50   7.00000 -1.0 2.0
   68    42   -49    52   7.00000 -1.0 2.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    73   0.34400  1.0 1.0
   68    66    69    73   0.09450 -1.0 2.0
   68    66    69    73   0.11100  1.0 3.0
   68    66    69    77   0.34400  1.0 1.0
   68    66    69    77   0.09450 -1.0 2.0
   68    66    69    77   0.11100  1.0 3.0
   68    71    81    82   0.00000  1.0 1.0
   68    71    81    43   0.09850  1.0 1.0
   68    71    81    43   0.15250 -1.0 2.0
   68    71    81    43  -0.50650  1.0 3.0
   68    71    81    63   0.39000  1.0 1.0
   68    71    81    63  -0.05800 -1.0 2.0
   68    71    81    63  -0.55150  1.0 3.0
   71    81   -43    41   0.34400  1.0 1.0
   71    81   -43    41   0.09450 -1.0 2.0
   71    81   -43    41   0.11100  1.0 3.0
   71    81    43    44   0.15000  1.0 3.0
   71    81    43    51   0.34400  1.0 1.0
   71    81    43    51   0.09450 -1.0 2.0
   71    81    43    51   0.11100  1.0 3.0
   71    81    63    54  -0.82050  1.0 1.0
   71    81    63    54   0.00600 -1.0 2.0
   71    81    63    54   0.04400  1.0 3.0
   72    71    81    82   0.33100  1.0 3.0
   72    71    81    43   0.00000  1.0 1.0
   72    71    81    63   0.00000  1.0 1.0
   81    43   -51    54  -0.95700  1.0 1.0
   81    43   -51    54  -0.18200 -1.0 2.0
   81    43   -51    54   0.29450  1.0 3.0
   81    43    51    56   0.56750  1.0 1.0
   81    43    51    56  -0.07550 -1.0 2.0
   81    43    51    56   0.20000  1.0 3.0
   81    43    51    58   0.56750  1.0 1.0
   81    43    51    58  -0.07550 -1.0 2.0
   81    43    51    58   0.20000  1.0 3.0
   82    81    43    41   0.15000  1.0 3.0
   82    81    43    44   0.15000  1.0 3.0
   82    81    43    51   0.15000  1.0 3.0
   82    81    63    54   0.08050  1.0 3.0
   43    41    42    49   0.09850  1.0 1.0
   43    41    42    49   0.15250 -1.0 2.0
   43    41    42    49  -0.50650  1.0 3.0
   43    41   -42    68   0.98200  1.0 1.0
   43    41   -42    68  -0.11900 -1.0 2.0
   43    41   -42    68   0.24250  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    48   0.15000  1.0 3.0
   43    81   -63    54  -0.25900  1.0 1.0
   43    81   -63    54  -0.47000 -1.0 2.0
   43    81   -63    54   0.11750  1.0 3.0
   43    51    54    55   0.30150 -1.0 2.0
   43    51   -54    63   0.36750  1.0 3.0
   43    51   -56    33   0.56750  1.0 1.0
   43    51   -56    33  -0.07550 -1.0 2.0
   43    51   -56    33   0.20000  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    64   0.86500  1.0 1.0
   43    51    56    64  -0.17500 -1.0 2.0
   43    51    56    64   0.20800  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    54  -0.11250  1.0 3.0
   44    43    51    56   0.15000  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    54   -63    81   1.63150  1.0 1.0
   51    54   -63    81   2.92000 -1.0 2.0
   51    56    64    65  -0.11600  1.0 1.0
   51    56    64    65  -0.09450 -1.0 2.0
   51    56    64    65   0.21250  1.0 3.0
   54    51    56    33  -0.95700  1.0 1.0
   54    51    56    33  -0.18200 -1.0 2.0
   54    51    56    33   0.29450  1.0 3.0
   54    51    56    57  -0.11250  1.0 3.0
   54    51    56    64  -0.09450  1.0 1.0
   54    51    56    64  -1.12950 -1.0 2.0
   54    51    56    64   0.54000  1.0 3.0
   54    51    58    59  -0.11250  1.0 3.0
   54    51    58    60  -0.11250  1.0 3.0
   54    51    58    61  -0.11250  1.0 3.0
   55    54    63    81   3.00000 -1.0 2.0
   63    81    43    41   0.62750  1.0 1.0
   63    81    43    41  -0.30950 -1.0 2.0
   63    81    43    41   0.27300  1.0 3.0
   63    81    43    44   0.23400  1.0 3.0
   63    81   -43    51   0.62750  1.0 1.0
   63    81   -43    51  -0.30950 -1.0 2.0
   63    81   -43    51   0.27300  1.0 3.0
   56    33    38    39   0.62750  1.0 1.0
   56    33    38    39  -0.30950 -1.0 2.0
   56    33    38    39   0.27300  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   56    51    54    55   0.30150 -1.0 2.0
   56    51    54    63   0.36750  1.0 3.0
   56    51    58    59   0.15000  1.0 3.0
   56    51    58    60   0.15000  1.0 3.0
   56    51    58    61   0.15000  1.0 3.0
   57    56    64    65   0.19450  1.0 3.0
   58    51    54    55   0.30150 -1.0 2.0
   58    51    54    63   0.36750  1.0 3.0
   58    51    56    33   0.56750  1.0 1.0
   58    51    56    33  -0.07550 -1.0 2.0
   58    51    56    33   0.20000  1.0 3.0
   58    51    56    57   0.15000  1.0 3.0
   58    51    56    64   0.86500  1.0 1.0
   58    51    56    64  -0.17500 -1.0 2.0
   58    51    56    64   0.20800  1.0 3.0
   69    66    68    42   0.98200  1.0 1.0
   69    66    68    42  -0.11900 -1.0 2.0
   69    66    68    42   0.24250  1.0 3.0
   69    66    68    71   0.09850  1.0 1.0
   69    66    68    71   0.15250 -1.0 2.0
   69    66    68    71  -0.50650  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   73    69    77    78   0.15000  1.0 3.0
   73    69    77    79   0.15000  1.0 3.0
   73    69    77    80   0.15000  1.0 3.0
   77    69    73    74   0.15000  1.0 3.0
   77    69    73    75   0.15000  1.0 3.0
   77    69    73    76   0.15000  1.0 3.0
   45    41    42    49   0.09850  1.0 1.0
   45    41    42    49   0.15250 -1.0 2.0
   45    41    42    49  -0.50650  1.0 3.0
   45    41    42    68   0.98200  1.0 1.0
   45    41    42    68  -0.11900 -1.0 2.0
   45    41    42    68   0.24250  1.0 3.0
   45    41    43    81   0.56750  1.0 1.0
   45    41    43    81  -0.07550 -1.0 2.0
   45    41    43    81   0.20000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    51   0.56750  1.0 1.0
   45    41    43    51  -0.07550 -1.0 2.0
   45    41    43    51   0.20000  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
   41    68    42    49   1.10000 -1.0 2.0
   52    50    49    42   1.10000 -1.0 2.0
   49    62    52    53  10.50000 -1.0 2.0
   42    66    68    71   1.10000 -1.0 2.0
   81    72    71    68   1.10000 -1.0 2.0
   51    63    54    55  10.50000 -1.0 2.0
END
