* LIGAND DATABASE FILE (OPLS2005)
*
001      87    86    154    229     454
    1     0 S   NP   _N1_     1    28.48629    93.55057   -21.64549
    2     1 S   H    _HN1     2     1.02790    95.22185   -89.46685
    3     1 S   H    _H1_     3     1.02949    89.62436    18.93876
    4     1 S   H    _H2_     4     1.02828    26.90104   150.44287
    5     1 S   CT   _CA1     5     1.50122   137.29607   139.42412
    6     5 S   HC   _HA1     6     1.09574   105.18072    64.57662
    7     5 S   CO3  _C1_     7     1.53774   112.41698   -55.64101
    8     7 S   O2Z  _O11     8     1.26373   115.00647   -43.50010
    9     7 S   O2Z  _O12     9     1.26236   114.93556   135.52268
   10     5 S   CT   _CB1    10     1.53060   107.40629  -177.47245
   11    10 S   HC   HB11    11     1.09837   109.34024   -49.60833
   12    10 S   HC   HB12    12     1.09816   110.47702    66.98345
   13    10 S   CT   _CG1    13     1.53014   112.62923  -170.56460
   14    13 S   HC   HG11    14     1.09577   110.66228   -66.22471
   15    13 S   HC   HG12    15     1.09668   109.78053    53.04480
   16    13 S   C    _CD1    16     1.51795   112.07573   173.47120
   17    16 S   O    _OE1    17     1.22753   123.17488     8.42042
   18    16 S   N    _N2_    18     1.38662   111.76335  -171.56371
   19    18 S   H    _HN2    19     1.01572   119.10111     1.12483
   20    18 S   CT1  _CA2    20     1.46225   123.33096   177.69973
   21    20 S   HC   _HA2    21     1.09761   109.15329     5.14308
   22    20 S   C    _C2_    22     1.53616   108.96454  -110.28212
   23    22 S   O    _O2_    23     1.23071   122.29048  -150.04864
   24    20 S   CT   _CB2    32     1.53407   111.79450   126.86345
   25    24 S   HC   HB21    33     1.09505   110.24903    58.58457
   26    24 S   HC   HB22    34     1.09502   109.72150   177.67662
   27    22 S   N    _N3_    24     1.38341   113.81603    37.52811
   28    27 S   H    _HN3    25     1.01558   119.54788    -3.44594
   29    24 S   S    _SG2    35     1.82649   111.13992   -62.29537
   30    27 S   CT   _CA3    26     1.45274   123.25421   177.07711
   31    30 S   HC   HA31    27     1.09549   107.52791   -64.32870
   32    30 S   HC   HA32    28     1.09556   107.97224    52.11542
   33    29 S   CT   _C17    36     1.85512   100.04444  -166.57705
   34    33 S   HC   _H5_    37     1.09838   107.94067    34.03042
   35    30 S   CO3  _C3_    29     1.52962   114.06523   174.11250
   36    35 S   O2Z  _O31    30     1.26379   116.07949    -0.18663
   37    35 S   O2Z  _O32    31     1.26426   114.41624   179.86583
   38    33 S   CO3  _C18    38     1.54706   101.88897   -81.98552
   39    38 S   O2Z  _O36    39     1.26467   116.68006   -82.21187
   40    38 S   O2Z  _O35    40     1.26748   114.53254    98.07629
   41    33 S   CT   _C16    41     1.55126   109.87645   155.08847
   42    41 S   OM   _O37    42     1.32595   108.76650  -174.25260
   43    41 S   HC   _H4_    43     1.09972   107.49020    54.59608
   44    41 S   C    _C15    44     1.54594   109.48910   -62.29702
   45    44 S   O    _O34    45     1.23213   123.36341   -48.90277
   46    44 S   N    _N8_    46     1.38936   112.72493   130.01469
   47    46 S   H    _H29    47     1.01528   118.98117     6.88128
   48    46 S   CT1  _C8_    48     1.45476   122.90678  -177.88696
   49    48 S   HC   _H3_    49     1.09490   109.17785     9.22484
   50    48 S   C    _C9_    50     1.52743   106.73673  -108.34395
   51    50 S   O    _O33    51     1.22973   122.73434   -39.25934
   52    48 S   CTD  _C7_    75     1.53417   111.87323   131.57059
   53    52 S   HC   _H13    76     1.09835   108.93536   177.45647
   54    52 S   HC   _H14    77     1.09893   109.03699    62.38741
   55    50 S   N    _N4_    52     1.38710   112.69828   142.45170
   56    55 S   H    _H15    53     1.01518   119.44261     0.46225
   57    52 S   CT   _C5_    78     1.54294   114.76637   -59.55850
   58    57 S   HC   _H9_    79     1.09645   108.97062    60.41712
   59    55 S   CT   _C10    54     1.45248   122.97595  -178.66323
   60    59 S   HC   _H16    55     1.09486   107.41544  -167.73336
   61    59 S   HC   _H17    56     1.09547   107.97654   -51.18030
   62    57 S   CT   _C4_    80     1.52909   112.62000   -59.70548
   63    62 S   HC   _H6_    81     1.09514   111.22721   -55.45360
   64    62 S   HC   _H7_    82     1.09525   110.78515  -175.52193
   65    62 S   HC   _H8_    83     1.09392   111.44343    65.39848
   66    57 S   CT   _C6_    84     1.53095   109.79728   177.71835
   67    66 S   HC   _H10    85     1.09533   111.30149    62.35279
   68    66 S   HC   _H11    86     1.09534   110.80127  -177.40346
   69    66 S   HC   _H12    87     1.09514   110.82025   -57.95620
   70    59 S   CT   _C11    57     1.52964   112.75370    70.09076
   71    70 S   HC   _H18    58     1.09662   108.91836  -178.17522
   72    70 S   HC   _H19    59     1.09568   109.12142   -62.09558
   73    70 S   CT   _C12    60     1.53316   112.78214    60.42579
   74    73 S   HC   _H20    61     1.09355   109.87655   -51.08456
   75    73 S   HC   _H21    62     1.09646   109.34965    65.58447
   76    73 S   CT   _C13    63     1.52751   112.16425  -173.33803
   77    76 S   HC   _H22    64     1.09499   111.52354   179.82417
   78    76 S   HC   _H23    65     1.09573   109.83712   -61.79567
   79    76 S   NG   _N5_    66     1.47413   112.97138    57.48323
   80    79 S   H    _H24    67     1.01655   118.18071  -115.17030
   81    79 S   CG   _C14    68     1.38479   124.69091    64.10768
   82    81 S   NG   _N7_    69     1.37910   119.04584  -172.77165
   83    82 S   H    _H27    70     1.01453   122.07042     0.35054
   84    82 S   H    _H28    71     1.02152   120.07259   176.72631
   85    81 S   NG   _N6_    72     1.37733   122.20073     7.38905
   86    85 S   H    _H25    73     1.02028   120.21421  -176.16651
   87    85 S   H    _H26    74     1.01354   122.62319     3.04195
  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
  10   7   2   1   1   6   2   1   7   4   3   7   3  10   4  13
   7  11   4  13   5   4   8   4   9   8   9   5   4   7   3   2
   1   3   2   1   1   9   5   4   8   5   4   7   4   3   8   3
   6   5   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    41    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44  
   40    41  
   41  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46  
   45    46    47    48    49    50    52  
   46    47    48  
   47    48    49    50    51    55    52    53    54    57  
   48    49    50    52  
   49    50    51    55    56    59    52    53    54    57    58    62    66  
   50    51    55    52    53    54    57  
   51    55    56    59    60    61    70    52    53    54    57  
   55    56    59    52  
   53    54    57    58    62    63    64    65    66    67    68    69    55  
   54    57    58    62    66  
   57    58    62    66  
   56    59    60    61    70    71    72    73  
   59    60    61    70  
   58    62    63    64    65    66    67    68    69  
   62    63    64    65    66    67    68    69  
   60    61    70    71    72    73    74    75    76  
   61    70    71    72    73  
   70    71    72    73  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    85  
   78    79    80    81  
   79    80    81  
   80    81    82    83    84    85    86    87  
   81    82    85  
   82    83    84    85    86    87  
   83    84    85    86    87  
   84    85  
   85  
   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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.050000   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   3.5000   0.0660   0.143000   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   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   80   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   81   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   82   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   83   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   86   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    41   268.000  1.529
   38    39   656.000  1.250
   38    40   656.000  1.250
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    44   317.000  1.522
   44    45   570.000  1.229
   44    46   490.000  1.335
   46    47   434.000  1.010
   46    48   337.000  1.449
   48    49   340.000  1.090
   48    50   317.000  1.522
   48    52   268.000  1.529
   50    51   570.000  1.229
   50    55   490.000  1.335
   55    56   434.000  1.010
   55    59   337.000  1.449
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   337.000  1.463
   79    80   434.000  1.010
   79    81   481.000  1.340
   81    82   481.000  1.340
   81    85   481.000  1.340
   82    83   434.000  1.010
   82    84   434.000  1.010
   85    86   434.000  1.010
   85    87   434.000  1.010
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    70.00000  116.78000
   29    33    41    75.00000  111.63000
   33    38    39    70.00000  117.00000
   33    38    40    70.00000  117.00000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   40    38    39    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    70.00000  109.69300
   41    44    45    80.00000  120.40000
   41    44    46    70.00000  116.60000
   43    41    42    45.00000  125.66300
   44    41    42    90.00000  108.55600
   44    41    43    35.00000  109.50000
   44    46    47    35.00000  119.80000
   44    46    48    50.00000  121.90000
   46    44    45    80.00000  122.90000
   46    48    49    35.00000  109.50000
   46    48    50    63.00000  110.10000
   46    48    52    80.00000  109.70000
   48    46    47    38.00000  118.40000
   48    50    51    80.00000  120.40000
   48    50    55    70.00000  116.60000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    57    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    55    56    35.00000  119.80000
   50    55    59    50.00000  121.90000
   55    50    51    80.00000  122.90000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    70    70.00000  110.72300
   59    55    56    38.00000  118.40000
   59    70    71    37.50000  110.70000
   59    70    72    37.50000  110.70000
   59    70    73    58.35000  112.70000
   61    59    60    33.00000  107.80000
   70    59    60    37.50000  110.70000
   70    59    61    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    80.00000  111.20000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    35.00000  118.40000
   76    79    81    50.00000  123.20000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    81    82    70.00000  120.00000
   79    81    85    70.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    84    35.00000  120.00000
   81    85    86    35.00000  120.00000
   81    85    87    35.00000  120.00000
   84    82    83    35.00000  120.00000
   85    81    82    70.00000  120.00000
   87    85    86    35.00000  120.00000
   52    48    49    37.50000  110.70000
   52    48    50    63.00000  111.10000
   52    57    58    37.50000  110.70000
   52    57    62    58.35000  112.70000
   52    57    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    69    37.50000  110.70000
   62    57    58    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    57    58    37.50000  110.70000
   66    57    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.30150 -1.0 2.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    41    44    45   0.30150 -1.0 2.0
   33    41    44    46   1.39750  1.0 1.0
   33    41    44    46  -0.07950 -1.0 2.0
   33    41    44    46  -0.18750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    44  -0.11250  1.0 3.0
   38    33    41    42  -3.35100  1.0 1.0
   38    33    41    42  -0.37050 -1.0 2.0
   38    33    41    42   0.22400  1.0 3.0
   38    33    41    43  -0.11250  1.0 3.0
   38    33    41    44  -0.30950  1.0 1.0
   38    33    41    44   1.11150 -1.0 2.0
   38    33    41    44   0.40350  1.0 3.0
   41    33    38    39   0.41150 -1.0 2.0
   41    33    38    40   0.41150 -1.0 2.0
   41    44    46    47   2.45000 -1.0 2.0
   41    44    46    48   1.15000  1.0 1.0
   41    44    46    48   3.04450 -1.0 2.0
   42    41    44    45   0.30150 -1.0 2.0
   42    41    44    46   0.00000  1.0 1.0
   43    41    44    45   0.00000  1.0 1.0
   43    41    44    46   0.00000  1.0 1.0
   44    46    48    49   0.00000  1.0 1.0
   44    46    48    50  -0.29800  1.0 1.0
   44    46    48    50   0.13950 -1.0 2.0
   44    46    48    50  -2.45650  1.0 3.0
   44    46    48    52   0.25950  1.0 1.0
   44    46    48    52   0.43850 -1.0 2.0
   44    46    48    52   2.61650  1.0 3.0
   45    44    46    47   2.45000 -1.0 2.0
   45    44    46    48   3.04450 -1.0 2.0
   46    48    50    51   0.00000  1.0 1.0
   46    48    50    55   0.37150  1.0 1.0
   46    48    50    55   1.25400 -1.0 2.0
   46    48    50    55  -0.40250  1.0 3.0
   46    48    52    53   0.23200  1.0 3.0
   46    48    52    54   0.23200  1.0 3.0
   46    48    52    57   0.26400  1.0 1.0
   46    48    52    57   0.16150 -1.0 2.0
   46    48    52    57   0.25850  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    52   0.00000  1.0 1.0
   48    50    55    56   2.45000 -1.0 2.0
   48    50    55    59   1.15000  1.0 1.0
   48    50    55    59   3.04450 -1.0 2.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    62   0.65000  1.0 1.0
   48    52    57    62  -0.02500 -1.0 2.0
   48    52    57    62   0.10000  1.0 3.0
   48    52    57    66   0.65000  1.0 1.0
   48    52    57    66  -0.02500 -1.0 2.0
   48    52    57    66   0.10000  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    55   0.00000  1.0 1.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   50    48    52    53  -0.03800  1.0 3.0
   50    48    52    54  -0.03800  1.0 3.0
   50    48    52    57  -0.45800  1.0 1.0
   50    48    52    57   0.20550 -1.0 2.0
   50    55    59    60   0.00000  1.0 1.0
   50    55    59    61   0.00000  1.0 1.0
   50    55    59    70  -0.43950  1.0 1.0
   50    55    59    70  -0.08100 -1.0 2.0
   50    55    59    70   0.03350  1.0 3.0
   51    50    55    56   2.45000 -1.0 2.0
   51    50    55    59   3.04450 -1.0 2.0
   55    59    70    71   0.15000  1.0 3.0
   55    59    70    72   0.15000  1.0 3.0
   55    59    70    73   0.43900  1.0 1.0
   55    59    70    73   0.49100 -1.0 2.0
   55    59    70    73   0.28400  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    70   0.00000  1.0 1.0
   59    70    73    74   0.15000  1.0 3.0
   59    70    73    75   0.15000  1.0 3.0
   59    70    73    76   0.56750  1.0 1.0
   59    70    73    76  -0.07550 -1.0 2.0
   59    70    73    76   0.20000  1.0 3.0
   60    59    70    71   0.15000  1.0 3.0
   60    59    70    72   0.15000  1.0 3.0
   60    59    70    73   0.15000  1.0 3.0
   61    59    70    71   0.15000  1.0 3.0
   61    59    70    72   0.15000  1.0 3.0
   61    59    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   1.34550  1.0 1.0
   70    73    76    79  -0.31050 -1.0 2.0
   70    73    76    79   0.95500  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80  -0.09500  1.0 1.0
   73    76    79    80  -0.20850 -1.0 2.0
   73    76    79    80   0.20900  1.0 3.0
   73    76    79    81   0.25550 -1.0 2.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79  -0.29100  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79  -0.29100  1.0 3.0
   76    79    81    82   3.96800 -1.0 2.0
   76    79    81    85   3.96800 -1.0 2.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.08850  1.0 3.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    81   0.08850  1.0 3.0
   79    81    82    83   1.50000 -1.0 2.0
   79    81    82    84   1.50000 -1.0 2.0
   79    81    85    86   1.50000 -1.0 2.0
   79    81    85    87   1.50000 -1.0 2.0
   80    79    81    82   1.50000 -1.0 2.0
   80    79    81    85   1.50000 -1.0 2.0
   82    81    85    86   1.50000 -1.0 2.0
   82    81    85    87   1.50000 -1.0 2.0
   85    81    82    83   1.50000 -1.0 2.0
   85    81    82    84   1.50000 -1.0 2.0
   52    48    50    51   0.00000  1.0 1.0
   52    48    50    55   0.93250  1.0 1.0
   52    48    50    55   0.04450 -1.0 2.0
   52    48    50    55   0.17550  1.0 3.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    64   0.15000  1.0 3.0
   52    57    62    65   0.15000  1.0 3.0
   52    57    66    67   0.15000  1.0 3.0
   52    57    66    68   0.15000  1.0 3.0
   52    57    66    69   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   53    52    57    66   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    62   0.15000  1.0 3.0
   54    52    57    66   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    69   0.15000  1.0 3.0
   62    57    66    67   0.15000  1.0 3.0
   62    57    66    68   0.15000  1.0 3.0
   62    57    66    69   0.15000  1.0 3.0
   66    57    62    63   0.15000  1.0 3.0
   66    57    62    64   0.15000  1.0 3.0
   66    57    62    65   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   39    33    38    40  10.50000 -1.0 2.0
   41    46    44    45  10.50000 -1.0 2.0
   47    44    46    48   1.00000 -1.0 2.0
   48    55    50    51  10.50000 -1.0 2.0
   56    50    55    59   1.00000 -1.0 2.0
   80    81    79    76   1.00000 -1.0 2.0
   79    82    81    85  10.50000 -1.0 2.0
   84    81    82    83   1.00000 -1.0 2.0
   86    87    85    81   1.00000 -1.0 2.0
END
