* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    164    248     477
    1     0 S   NP   _N1_     1    28.74925    95.90380   -23.88433
    2     1 S   H    _HN1     2     1.02948    75.90261     6.64340
    3     1 S   H    _H1_     3     1.02828    33.06833   166.88760
    4     1 S   H    _H2_     4     1.02790   108.36985   -98.35678
    5     1 S   CT   _CA1     5     1.50115   133.67575   111.57097
    6     5 S   HC   _HA1     6     1.09574   105.18730    87.95789
    7     5 S   CO3  _C1_     7     1.53778   112.42937   -32.27500
    8     7 S   O2Z  _O11     8     1.26373   115.01076   -43.50717
    9     7 S   O2Z  _O12     9     1.26236   114.93608   135.55577
   10     5 S   CT   _CB1    10     1.53068   107.41300  -154.08093
   11    10 S   HC   HB11    11     1.09837   109.35430   -49.67176
   12    10 S   HC   HB12    12     1.09812   110.46573    66.92542
   13    10 S   CT   _CG1    13     1.53006   112.61990  -170.62856
   14    13 S   HC   HG11    14     1.09578   110.67089   -66.14007
   15    13 S   HC   HG12    15     1.09669   109.75885    53.10834
   16    13 S   C    _CD1    16     1.51802   112.11105   173.56489
   17    16 S   O    _OE1    17     1.22749   123.22684     8.89316
   18    16 S   N    _N2_    18     1.38651   111.75131  -171.14563
   19    18 S   H    _HN2    19     1.01578   119.03179     1.29709
   20    18 S   CT1  _CA2    20     1.46182   123.34666   177.42732
   21    20 S   HC   _HA2    21     1.09753   109.24743     5.50289
   22    20 S   C    _C2_    22     1.53618   109.05073  -109.96862
   23    22 S   O    _O2_    23     1.23084   122.21609  -150.19510
   24    20 S   CT   _CB2    32     1.53345   111.67100   127.34068
   25    24 S   HC   HB21    33     1.09489   110.03329    56.69062
   26    24 S   HC   HB22    34     1.09434   109.80693   175.60199
   27    22 S   N    _N3_    24     1.38304   113.85666    37.38850
   28    27 S   H    _HN3    25     1.01561   119.58422    -3.43422
   29    24 S   S    _SG2    35     1.82716   111.26660   -64.03680
   30    27 S   CT   _CA3    26     1.45282   123.26091   177.05709
   31    30 S   HC   HA31    27     1.09549   107.53269   -64.17074
   32    30 S   HC   HA32    28     1.09556   107.96709    52.27596
   33    29 S   CT   _C23    36     1.87254   100.22190  -161.25871
   34    33 S   HC   _H4_    37     1.09341   106.81356    37.46157
   35    30 S   CO3  _C3_    29     1.52968   114.05424   174.26544
   36    35 S   O2Z  _O31    30     1.26379   116.06801    -0.29074
   37    35 S   O2Z  _O32    31     1.26424   114.41618   179.75772
   38    33 S   CM   _C22    38     1.51926   105.94258   -78.90349
   39    38 S   CMA  _C21    39     1.35258   123.09427   -95.23659
   40    39 S   OM   _O37    40     1.26116   131.49009   176.07954
   41    38 S   OS   _O36    83     1.38939   115.61344    81.22980
   42    39 S   CM   _C20    41     1.46113   117.75611    -6.57987
   43    42 S   HC   _H24    42     1.09034   118.08961   176.31177
   44    41 S   CT   _C24    84     1.42592   110.63245    86.48502
   45    44 S   HC   _H25    85     1.09395   107.86449   177.53733
   46    44 S   HC   _H26    86     1.09535   111.27148    59.13498
   47    44 S   HC   _H27    87     1.09474   111.28187   -64.16382
   48    42 S   CM   _C19    43     1.34850   123.13951   -11.91750
   49    48 S   CT   _C18    44     1.51895   120.71925  -163.38768
   50    49 S   HC   _H3_    45     1.09938   108.91561    19.35451
   51    33 S   CT   _C7_    59     1.58260   112.87980   155.90802
   52    49 S   CT   _C17    46     1.53813   108.62879   -98.50791
   53    52 S   HC   _H22    47     1.09631   111.12527  -156.51726
   54    52 S   HC   _H23    48     1.09858   108.52918    88.15514
   55    51 S   CT   _C6_    60     1.57523   110.99579  -163.33886
   56    55 S   HC   _H10    61     1.09168   112.92232    74.40447
   57    55 S   HC   _H11    62     1.09973   109.69486   -41.38273
   58    49 S   NT   _N4_    66     1.48748   110.71791   137.96336
   59    52 S   CT   _C16    49     1.52811   114.43252   -32.10451
   60    59 S   HC   _H20    50     1.09815   107.75126  -176.19049
   61    59 S   HC   _H21    51     1.09680   111.22618    70.61200
   62    55 S   CT   _C5_    63     1.55164   114.19031  -161.59693
   63    62 S   HC   _H8_    64     1.09886   108.80559   111.60206
   64    62 S   HC   _H9_    65     1.09744   107.79498  -133.36374
   65    58 S   CT   _C4_    67     1.46427   111.95404  -159.05161
   66    65 S   HC   _H5_    68     1.09414   111.56745   -58.98230
   67    65 S   HC   _H6_    69     1.09591   110.35999  -176.83665
   68    65 S   HC   _H7_    70     1.09602   112.07489    62.55270
   69    59 S   CA   _C9_    52     1.51151   113.93689   -53.33929
   70    69 S   CA   _C10    53     1.41439   115.91210  -110.72326
   71    70 S   HA   _H12    54     1.08693   118.16193     2.65483
   72    70 S   CA   _C11    55     1.38971   121.57306  -177.55319
   73    72 S   CA   _C12    56     1.39249   118.36355     2.23896
   74    72 S   OS   _O35    78     1.36989   125.77364  -178.53086
   75    73 S   CA   _C13    57     1.40543   121.36534    -0.35443
   76    73 S   OH   _O34    76     1.37281   119.08919  -179.10278
   77    76 S   HO   _H16    77     0.97381   107.47826    -0.56855
   78    74 S   CT   _C15    79     1.42273   117.04709     1.64616
   79    78 S   HC   _H17    80     1.09428   107.73477   178.85312
   80    78 S   HC   _H18    81     1.09503   111.18019    61.09184
   81    78 S   HC   _H19    82     1.09494   111.08544   -63.44858
   82    69 S   CA   _C8_    58     1.42516   123.42938    70.77919
   83    75 S   OS   _O33    71     1.37527   119.90884   177.34915
   84    83 S   CT   _C14    72     1.42849   113.66326   -58.97423
   85    84 S   HC   _H13    73     1.09431   107.69074  -145.50068
   86    84 S   HC   _H14    74     1.09368   110.05041    97.57001
   87    84 S   HC   _H15    75     1.09597   112.97094   -26.43992
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  13   8   4   6   9   3   3   2   1   1  16
  19   8  15  11   6   5  10   6   5   8   8   4   3   7   2   1
   3   2   1   1   8   8   4  11   8   6   8   3   1   3   2   1
   1   2   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    82    51    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    48    49    69    75    82    51    55    56    57    62    41    44  
   38    39    48    82    51    55    41  
   36    37  
   37  
    0  
   39    40    42    43    48    82    51    55    41    44    45    46    47  
   40    42    43    48    49    51    41    44  
   42    43    48    41  
   44    45    46    47    42    51  
   43    48    49    50    52    82    51    55    58  
   48    49    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    52    53    54    59    69    75    82    51    55    56    57    62    58    65  
   50    52    53    54    59    60    61    69    82    51    55    62    63    64    58    65    66    67    68  
   52    53    54    59    51    62    58    65  
   55    56    57    62    63    64    58    83    52    59    69    70    73    75    82  
   53    54    59    60    61    69    70    82    62    58    65  
   54    59    60    61    69    58  
   59    60    61    69    58  
   56    57    62    63    64    58    65    69    75    82  
   57    62    63    64    58    82  
   62    63    64    58    82  
   65    66    67    68    59    62    63    64  
   60    61    69    70    71    72    75    82  
   61    69    70    82  
   69    70    82  
   63    64    65    66    67    68    82  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    75    82    83    74  
   71    72    73    75    82    76    74    78  
   72    73    82    74  
   73    75    82    83    76    77    74    78    79    80    81  
   75    82    83    84    76    77    74    78  
   78    79    80    81    75    76  
   82    83    84    85    86    87    76    77  
   77    82    83  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83    84  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    51   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   465.000  1.376
   42    43   340.000  1.080
   42    48   549.000  1.340
   48    49   317.000  1.510
   48    51   317.000  1.510
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    58   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    69   317.000  1.510
   69    70   469.000  1.400
   69    82   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   469.000  1.400
   73    76   450.000  1.364
   75    82   469.000  1.400
   75    83   450.000  1.364
   82    51   317.000  1.510
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    58   382.000  1.448
   58    65   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   83    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   76    77   553.000  0.945
   74    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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  112.20000
   29    33    51    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    51    48    70.00000  112.02700
   33    51    82    70.00000  112.17500
   33    51    55    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    70.00000  123.01800
   38    41    44    90.00000  111.18400
   39    42    43    40.00000  120.50800
   39    42    48    70.00000  117.34000
   42    39    40    65.00000  137.10300
   42    48    49    70.00000  124.00000
   42    48    51    70.00000  124.00000
   48    42    43    35.00000  120.00000
   48    49    50    35.00000  109.50000
   48    49    52    70.00000  112.02700
   48    49    58    75.00000  110.70900
   48    51    82    70.00000  112.99600
   48    51    55    70.00000  112.02700
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    59    58.35000  112.70000
   49    58    62    51.80000  107.20000
   49    58    65    51.80000  107.20000
   52    49    50    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    69    70.00000  112.17500
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    69    70    70.00000  120.00000
   59    69    82    70.00000  120.00000
   61    59    60    33.00000  107.80000
   69    59    60    35.00000  109.50000
   69    59    61    35.00000  109.50000
   69    70    71    35.00000  120.00000
   69    70    72    63.00000  120.00000
   69    82    75    63.00000  120.00000
   69    82    51    70.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    73    76    70.00000  120.00000
   72    74    78    75.00000  111.00000
   73    75    82    63.00000  120.00000
   73    75    83    70.00000  120.00000
   73    76    77    35.00000  113.00000
   75    82    51    70.00000  120.00000
   75    83    84    75.00000  111.00000
   82    69    70    63.00000  120.00000
   82    51    55    70.00000  112.17500
   51    33    34    37.50000  110.70000
   51    33    38    70.00000  112.02700
   51    48    49    65.00000  117.92700
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    62    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    58    56.20000  109.47000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    58    65    51.80000  107.20000
   64    62    63    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    52    56.20000  109.47000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   83    75    82    70.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   76    73    75    70.00000  120.00000
   74    72    73    70.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    51    48   0.56750  1.0 1.0
   29    33    51    48  -0.07550 -1.0 2.0
   29    33    51    48   0.20000  1.0 3.0
   29    33    51    82   0.56750  1.0 1.0
   29    33    51    82  -0.07550 -1.0 2.0
   29    33    51    82   0.20000  1.0 3.0
   29    33    51    55   0.44750  1.0 1.0
   29    33    51    55  -0.17800 -1.0 2.0
   29    33    51    55   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    44   2.00000 -1.0 2.0
   33    51    55    56   0.15000  1.0 3.0
   33    51    55    57   0.15000  1.0 3.0
   33    51    55    62   0.56750  1.0 1.0
   33    51    55    62  -0.07550 -1.0 2.0
   33    51    55    62   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    82   0.43200  1.0 3.0
   34    33    51    55   0.15000  1.0 3.0
   38    33    51    48   0.31000  1.0 1.0
   38    33    51    48   0.14700 -1.0 2.0
   38    33    51    48   0.07550  1.0 3.0
   38    33    51    82   0.21200  1.0 1.0
   38    33    51    82   0.16900 -1.0 2.0
   38    33    51    82  -1.15100  1.0 3.0
   38    33    51    55   0.34400  1.0 1.0
   38    33    51    55   0.09450 -1.0 2.0
   38    33    51    55   0.11100  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    48   7.00000 -1.0 2.0
   38    41    44    45   0.08050  1.0 3.0
   38    41    44    46   0.08050  1.0 3.0
   38    41    44    47   0.08050  1.0 3.0
   39    38    41    44  -2.26850  1.0 1.0
   39    38    41    44   3.39050 -1.0 2.0
   39    42    48    49   7.00000 -1.0 2.0
   39    42    48    51   7.00000 -1.0 2.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    48   7.00000 -1.0 2.0
   42    48    49    50   0.00000  1.0 1.0
   42    48    49    52   0.09850  1.0 1.0
   42    48    49    52   0.15250 -1.0 2.0
   42    48    49    52  -0.50650  1.0 3.0
   42    48    49    58   0.90200  1.0 1.0
   42    48    49    58   0.57900 -1.0 2.0
   42    48    49    58  -0.62100  1.0 3.0
   42    48   -51    33   0.09850  1.0 1.0
   42    48   -51    33   0.15250 -1.0 2.0
   42    48   -51    33  -0.50650  1.0 3.0
   42    48    51    82   1.44450  1.0 1.0
   42    48    51    82   0.06600 -1.0 2.0
   42    48    51    82   0.29250  1.0 3.0
   42    48    51    55   0.09850  1.0 1.0
   42    48    51    55   0.15250 -1.0 2.0
   42    48    51    55  -0.50650  1.0 3.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    51   7.00000 -1.0 2.0
   48    49    52    53   0.15000  1.0 3.0
   48    49    52    54   0.15000  1.0 3.0
   48    49    52    59   0.34400  1.0 1.0
   48    49    52    59   0.09450 -1.0 2.0
   48    49    52    59   0.11100  1.0 3.0
   48    49    58    62  -0.60800  1.0 1.0
   48    49    58    62   1.10050 -1.0 2.0
   48    49    58    62   0.47000  1.0 3.0
   48    49    58    65  -0.60800  1.0 1.0
   48    49    58    65   1.10050 -1.0 2.0
   48    49    58    65   0.47000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51   -55    62   0.34400  1.0 1.0
   48    51   -55    62   0.09450 -1.0 2.0
   48    51   -55    62   0.11100  1.0 3.0
   49    48    51    33   0.46850  1.0 1.0
   49    48    51    33   0.08550 -1.0 2.0
   49    48    51    33   0.09800  1.0 3.0
   49    48    51    82   0.09700  1.0 1.0
   49    48    51    82   0.15600 -1.0 2.0
   49    48    51    82  -0.50800  1.0 3.0
   49    48    51    55   0.46850  1.0 1.0
   49    48    51    55   0.08550 -1.0 2.0
   49    48    51    55   0.09800  1.0 3.0
   49    52    59    60   0.15000  1.0 3.0
   49    52    59    61   0.15000  1.0 3.0
   49    52    59    69  -0.03700  1.0 1.0
   49    52    59    69   0.37200 -1.0 2.0
   49    52    59    69  -0.47300  1.0 3.0
   49    58    65    66   0.28000  1.0 3.0
   49    58    65    67   0.28000  1.0 3.0
   49    58    65    68   0.28000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    59   0.15000  1.0 3.0
   50    49    58    62   0.28000  1.0 3.0
   50    49    58    65   0.28000  1.0 3.0
   52    49    58    62   0.23450  1.0 1.0
   52    49    58    62   0.02050 -1.0 2.0
   52    49    58    62   0.25250  1.0 3.0
   52    49    58    65   0.23450  1.0 1.0
   52    49    58    65   0.02050 -1.0 2.0
   52    49    58    65   0.25250  1.0 3.0
   52    59    69    70   0.04150 -1.0 2.0
   52    59    69    82   0.04150 -1.0 2.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    69   0.43200  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    69   0.43200  1.0 3.0
   59    69    70    71   3.62500 -1.0 2.0
   59    69    70    72   3.62500 -1.0 2.0
   59    69    82    75   3.62500 -1.0 2.0
   59    69    82    51   3.62500 -1.0 2.0
   60    59    69    70   0.00000  1.0 1.0
   60    59    69    82   0.00000  1.0 1.0
   61    59    69    70   0.00000  1.0 1.0
   61    59    69    82   0.00000  1.0 1.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70    72    74   3.62500 -1.0 2.0
   69    82    51    33   0.04150 -1.0 2.0
   69    82    51    48   0.18050 -1.0 2.0
   69    82    51    55   0.04150 -1.0 2.0
   70    69    82    75   3.62500 -1.0 2.0
   70    69    82    51   3.62500 -1.0 2.0
   70    72   -73    75   3.62500 -1.0 2.0
   70    72    73    76   3.62500 -1.0 2.0
   70    72    74    78   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73    75    82   3.62500 -1.0 2.0
   72    73    75    83   3.62500 -1.0 2.0
   72    73    76    77   0.84100 -1.0 2.0
   72    74    78    79   0.08050  1.0 3.0
   72    74    78    80   0.08050  1.0 3.0
   72    74    78    81   0.08050  1.0 3.0
   73    72    74    78   1.63200 -1.0 2.0
   73    75   -82    69   3.62500 -1.0 2.0
   73    75    82    51   3.62500 -1.0 2.0
   73    75    83    84   1.63200 -1.0 2.0
   75    73    76    77   0.84100 -1.0 2.0
   75    82    51    33   0.04150 -1.0 2.0
   75    82    51    48   0.18050 -1.0 2.0
   75    82    51    55   0.04150 -1.0 2.0
   75    83    84    85   0.08050  1.0 3.0
   75    83    84    86   0.08050  1.0 3.0
   75    83    84    87   0.08050  1.0 3.0
   82    69    70    71   3.62500 -1.0 2.0
   82    69   -70    72   3.62500 -1.0 2.0
   82    75    83    84   1.63200 -1.0 2.0
   82    51    55    56   0.43200  1.0 3.0
   82    51    55    57   0.43200  1.0 3.0
   82    51    55    62  -0.03700  1.0 1.0
   82    51    55    62   0.37200 -1.0 2.0
   82    51    55    62  -0.47300  1.0 3.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.09700  1.0 1.0
   51    33    38    41   0.15600 -1.0 2.0
   51    33    38    41  -0.50800  1.0 3.0
   51    48    49    50   0.34800  1.0 3.0
   51    48    49    52   0.46850  1.0 1.0
   51    48    49    52   0.08550 -1.0 2.0
   51    48    49    52   0.09800  1.0 3.0
   51    48    49    58   0.52100  1.0 1.0
   51    48    49    58  -0.20350 -1.0 2.0
   51    48    49    58   0.29750  1.0 3.0
   51    55    62    63   0.15000  1.0 3.0
   51    55    62    64   0.15000  1.0 3.0
   51    55   -62    58   1.53400  1.0 1.0
   51    55   -62    58  -0.09950 -1.0 2.0
   51    55   -62    58   0.05700  1.0 3.0
   55    62   -58    49   0.23450  1.0 1.0
   55    62   -58    49   0.02050 -1.0 2.0
   55    62   -58    49   0.25250  1.0 3.0
   55    62    58    65   0.58650  1.0 1.0
   55    62    58    65   0.12600 -1.0 2.0
   55    62    58    65   0.33350  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    58   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    58   0.15000  1.0 3.0
   62    58    65    66   0.28000  1.0 3.0
   62    58    65    67   0.28000  1.0 3.0
   62    58    65    68   0.28000  1.0 3.0
   63    62    58    49   0.28000  1.0 3.0
   63    62    58    65   0.28000  1.0 3.0
   64    62    58    49   0.28000  1.0 3.0
   64    62    58    65   0.28000  1.0 3.0
   58    49    52    53   0.15000  1.0 3.0
   58    49    52    54   0.15000  1.0 3.0
   58    49    52    59   1.53400  1.0 1.0
   58    49    52    59  -0.09950 -1.0 2.0
   58    49    52    59   0.05700  1.0 3.0
   83    75    82    69   3.62500 -1.0 2.0
   83    75    82    51   3.62500 -1.0 2.0
   76    73    75    82   3.62500 -1.0 2.0
   76    73    75    83   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   74    72    73    76   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   39    43    42    48   1.10000 -1.0 2.0
   49    51    48    42   1.10000 -1.0 2.0
   70    82    69    59   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   75    76    73    72   4.00000 -1.0 2.0
   82    83    75    73   4.00000 -1.0 2.0
   75    51    82    69   4.00000 -1.0 2.0
END
