* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    154    232     451
    1     0 S   NP   _N1_     1    28.79033    95.52756   -20.52965
    2     1 S   H    _HN1     2     1.02958    88.16904    24.52670
    3     1 S   H    _H1_     3     1.02832    36.40478   147.21054
    4     1 S   H    _H2_     4     1.02776    85.49734   -84.01859
    5     1 S   CT   _CA1     5     1.50151   147.10835   150.84856
    6     5 S   HC   _HA1     6     1.09576   105.23360    57.09954
    7     5 S   CO3  _C1_     7     1.53931   112.06761   -63.05017
    8     7 S   O2Z  _O11     8     1.26380   114.99538   -48.22040
    9     7 S   O2Z  _O12     9     1.26216   114.95677   130.43450
   10     5 S   CT   _CB1    10     1.53096   107.33274   174.94538
   11    10 S   HC   HB11    11     1.09818   109.67487   -49.58357
   12    10 S   HC   HB12    12     1.09818   110.33440    67.12578
   13    10 S   CT   _CG1    13     1.52900   112.39713  -170.57673
   14    13 S   HC   HG11    14     1.09457   110.00979   -59.95706
   15    13 S   HC   HG12    15     1.09617   110.13347    59.24477
   16    13 S   C    _CD1    16     1.51746   112.45180  -179.79347
   17    16 S   O    _OE1    17     1.22748   123.18550    -2.61988
   18    16 S   N    _N2_    18     1.38557   111.63820   176.89814
   19    18 S   H    _HN2    19     1.02037   118.91791     4.90417
   20    18 S   CT1  _CA2    20     1.46187   123.54095  -175.14429
   21    20 S   HC   _HA2    21     1.09737   109.21745   -15.01095
   22    20 S   C    _C2_    22     1.53436   109.04137  -130.80240
   23    22 S   O    _O2_    23     1.23064   122.14547  -149.83960
   24    20 S   CT   _CB2    32     1.53520   111.07961   106.81231
   25    24 S   HC   HB21    33     1.09596   109.43525    54.12133
   26    24 S   HC   HB22    34     1.09483   110.82161   173.04805
   27    22 S   N    _N3_    24     1.38454   113.51910    38.13358
   28    27 S   H    _HN3    25     1.01520   118.84802    -3.20967
   29    24 S   S    _SG2    35     1.82920   111.52246   -67.21918
   30    27 S   CT   _CA3    26     1.45397   123.39178   174.83036
   31    30 S   HC   HA31    27     1.09537   109.01498    28.22155
   32    30 S   HC   HA32    28     1.09493   107.17611   145.14260
   33    29 S   CT   _C11    36     1.83377    99.73342   157.35671
   34    33 S   HC   _H3_    37     1.09692   107.33267   -42.58229
   35    30 S   CO3  _C3_    29     1.52947   113.28294   -95.12336
   36    35 S   O2Z  _O31    30     1.26407   115.52984   -43.76232
   37    35 S   O2Z  _O32    31     1.26394   114.97225   137.19969
   38    33 S   CM   _C12    38     1.50926   109.24076  -158.58734
   39    33 S   CM   _C10    66     1.50644   109.70534    75.68193
   40    39 S   HC   _H17    67     1.08819   117.64235    57.17843
   41    38 S   CMA  _C13    39     1.35303   130.38228   -80.88995
   42    41 S   OM   _O35    40     1.25487   137.44840     2.58831
   43    39 S   CM   _C9_    68     1.34270   123.62028  -122.73769
   44    43 S   HC   _H16    69     1.08734   119.54507     0.17246
   45    41 S   CM   _C14    41     1.45377   108.38097  -176.70058
   46    45 S   HC   _H18    42     1.08117   125.11299   179.65395
   47    43 S   CT   _C8_    70     1.50078   123.72687   179.76930
   48    47 S   HC   _H14    71     1.09657   108.42597  -121.99911
   49    47 S   HC   _H15    72     1.09684   110.79123    -5.08060
   50    45 S   CM   _C15    43     1.33957   110.55203     0.46562
   51    50 S   HC   _H19    44     1.07958   125.09384   179.04612
   52    47 S   CT   _C7_    73     1.52989   111.19091   117.12694
   53    52 S   HC   _H12    74     1.09749   109.71697   -59.16355
   54    52 S   HC   _H13    75     1.09746   109.81717    58.14542
   55    38 S   CT   _C16    45     1.52679   119.82309   102.69347
   56    55 S   HC   _H4_    46     1.09774   108.96823    61.33590
   57    52 S   CT   _C6_    76     1.52996   111.27294   179.50822
   58    57 S   HC   _H10    77     1.09685   109.57491    58.65096
   59    57 S   HC   _H11    78     1.09685   109.56710   -58.62701
   60    55 S   CT   _C17    47     1.53765   113.40090   -62.51500
   61    60 S   HC   _H20    48     1.09552   110.54402    49.13272
   62    60 S   HC   _H21    49     1.09846   110.89243   -67.12682
   63    57 S   CT   _C5_    79     1.52848   111.33234  -180.00000
   64    63 S   HC   _H8_    80     1.09622   109.86705    58.87718
   65    63 S   HC   _H9_    81     1.09622   109.86596   -58.85226
   66    60 S   CM   _C18    50     1.50514   112.70786   171.23561
   67    66 S   HC   _H22    51     1.08798   116.17737    88.68095
   68    63 S   CT   _C4_    82     1.52036   111.49318  -180.00000
   69    68 S   HC   _H5_    83     1.09469   111.00104    60.26521
   70    68 S   HC   _H6_    84     1.09449   110.26086  -180.00000
   71    68 S   HC   _H7_    85     1.09469   111.00166   -60.25458
   72    66 S   CM   _C19    52     1.34275   125.74305   -94.01139
   73    72 S   HC   _H23    53     1.08795   117.92965  -177.17105
   74    72 S   CT   _C20    54     1.50227   125.95677     4.00306
   75    74 S   HC   _H24    55     1.09605   110.77661    25.05266
   76    74 S   HC   _H25    56     1.09685   108.49765   140.85747
   77    74 S   CT   _C21    57     1.52758   111.54982   -97.89871
   78    77 S   HC   _H26    58     1.09562   109.53631    54.39947
   79    77 S   HC   _H27    59     1.09768   110.02349   -62.22842
   80    77 S   CT   _C22    60     1.52459   111.25054   175.92388
   81    80 S   HC   _H28    61     1.09598   110.52765    62.24774
   82    80 S   HC   _H29    62     1.09649   110.76004   -56.78527
   83    80 S   CO3  _C23    63     1.52728   108.98819  -176.18515
   84    83 S   O2Z  _O34    64     1.26272   115.06653  -109.92335
   85    83 S   O2Z  _O33    65     1.26382   115.11135    70.84004
  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   8   5   4   3
  14   6   2   1   1  15   9   3   8   4   8   4   6   3   9   5
   4   7   3   9   5   4   7   4   9   5   4   7   4   3   6   5
   4   7   3   3   2   1   1   8   4   9   5   4   8   5   4   5
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    55    56    60    39    40    43    44    47  
   38    41    55    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    50    51    55    56    60    61    62    66    39    40    43  
   40    43    44    47    48    49    52    41    55  
   43    44    47  
   42    45    46    50    51    55    56    60  
   45    46    50    55  
   44    47    48    49    52    53    54    57  
   47    48    49    52  
   46    50    51    55    56    60  
   50    51    55  
   48    49    52    53    54    57    58    59    63  
   49    52    53    54    57  
   52    53    54    57  
   51    55    56    60    61    62    66  
   55    56    60  
   53    54    57    58    59    63    64    65    68  
   54    57    58    59    63  
   57    58    59    63  
   56    60    61    62    66    67    72  
   60    61    62    66  
   58    59    63    64    65    68    69    70    71  
   59    63    64    65    68  
   63    64    65    68  
   61    62    66    67    72    73    74  
   62    66    67    72  
   66    67    72  
   64    65    68    69    70    71  
   65    68    69    70    71  
   68    69    70    71  
   67    72    73    74    75    76    77  
   72    73    74  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    80  
   74    75    76    77  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   317.000  1.510
   38    41   465.000  1.376
   38    55   317.000  1.510
   41    42   745.000  1.250
   41    45   465.000  1.376
   45    46   340.000  1.080
   45    50   549.000  1.340
   50    51   340.000  1.080
   50    55   317.000  1.510
   55    56   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.510
   66    67   340.000  1.080
   66    72   549.000  1.340
   72    73   340.000  1.080
   72    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   317.000  1.522
   83    84   656.000  1.250
   83    85   656.000  1.250
   39    40   340.000  1.080
   39    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   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    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    39    75.00000  112.20000
   33    38    41    70.00000  124.00000
   33    38    55    65.00000  117.92700
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    45    70.00000  123.01800
   38    55    50    70.00000  110.12100
   38    55    56    35.00000  109.50000
   38    55    60    70.00000  112.02700
   41    45    46    40.00000  120.50800
   41    45    50    70.00000  117.34000
   45    41    42    65.00000  137.10300
   45    50    51    35.00000  120.00000
   45    50    55    70.00000  124.00000
   50    45    46    35.00000  120.00000
   50    55    56    35.00000  109.50000
   50    55    60    70.00000  112.02700
   55    38    41    70.00000  124.00000
   55    50    51    35.00000  117.00000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    66    70.00000  112.02700
   60    55    56    37.50000  110.70000
   60    66    67    35.00000  117.00000
   60    66    72    70.00000  124.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    72    73    35.00000  120.00000
   66    72    74    70.00000  124.00000
   72    66    67    35.00000  120.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    70.00000  112.02700
   74    72    73    35.00000  117.00000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    70.00000  109.69300
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    70.00000  117.00000
   80    83    85    70.00000  117.00000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   85    83    84    80.00000  126.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    43    44    35.00000  120.00000
   39    43    47    70.00000  124.00000
   43    39    40    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    52    70.00000  112.02700
   47    43    44    35.00000  117.00000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    63    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    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    55   0.30250  1.0 1.0
   29    33    38    55  -0.14950 -1.0 2.0
   29    33    38    55   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    55    50   0.09700  1.0 1.0
   33    38    55    50   0.15600 -1.0 2.0
   33    38    55    50  -0.50800  1.0 3.0
   33    38    55    56   0.34800  1.0 3.0
   33    38    55    60   0.46850  1.0 1.0
   33    38    55    60   0.08550 -1.0 2.0
   33    38    55    60   0.09800  1.0 3.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.34800  1.0 3.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43  -0.28300  1.0 1.0
   38    33    39    43   0.26700 -1.0 2.0
   38    33    39    43  -0.63300  1.0 3.0
   38    41    45    46   7.00000 -1.0 2.0
   38    41   -45    50   7.00000 -1.0 2.0
   38    55    60    61   0.15000  1.0 3.0
   38    55    60    62   0.15000  1.0 3.0
   38    55    60    66   0.31000  1.0 1.0
   38    55    60    66   0.14700 -1.0 2.0
   38    55    60    66   0.07550  1.0 3.0
   41    38   -55    50  -0.28300  1.0 1.0
   41    38   -55    50   0.26700 -1.0 2.0
   41    38   -55    50  -0.63300  1.0 3.0
   41    38    55    56   0.00000  1.0 1.0
   41    38    55    60   0.09850  1.0 1.0
   41    38    55    60   0.15250 -1.0 2.0
   41    38    55    60  -0.50650  1.0 3.0
   41    45    50    51   7.00000 -1.0 2.0
   41    45   -50    55   7.00000 -1.0 2.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    50   7.00000 -1.0 2.0
   45    50   -55    38  -0.28300  1.0 1.0
   45    50   -55    38   0.26700 -1.0 2.0
   45    50   -55    38  -0.63300  1.0 3.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    60   0.09850  1.0 1.0
   45    50    55    60   0.15250 -1.0 2.0
   45    50    55    60  -0.50650  1.0 3.0
   46    45    50    51   7.00000 -1.0 2.0
   46    45    50    55   7.00000 -1.0 2.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    66   0.31000  1.0 1.0
   50    55    60    66   0.14700 -1.0 2.0
   50    55    60    66   0.07550  1.0 3.0
   51    50    55    38   0.00000  1.0 1.0
   51    50    55    56   0.33100  1.0 3.0
   51    50    55    60   0.00000  1.0 1.0
   55    38    41    42   7.00000 -1.0 2.0
   55    38   -41    45   7.00000 -1.0 2.0
   55    60    66    67   0.00000  1.0 1.0
   55    60    66    72   0.09850  1.0 1.0
   55    60    66    72   0.15250 -1.0 2.0
   55    60    66    72  -0.50650  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    66   0.15000  1.0 3.0
   60    66    72    73   7.00000 -1.0 2.0
   60    66    72    74   7.00000 -1.0 2.0
   61    60    66    67   0.33100  1.0 3.0
   61    60    66    72   0.00000  1.0 1.0
   62    60    66    67   0.33100  1.0 3.0
   62    60    66    72   0.00000  1.0 1.0
   66    72    74    75   0.00000  1.0 1.0
   66    72    74    76   0.00000  1.0 1.0
   66    72    74    77   0.09850  1.0 1.0
   66    72    74    77   0.15250 -1.0 2.0
   66    72    74    77  -0.50650  1.0 3.0
   67    66    72    73   7.00000 -1.0 2.0
   67    66    72    74   7.00000 -1.0 2.0
   72    74    77    78   0.15000  1.0 3.0
   72    74    77    79   0.15000  1.0 3.0
   72    74    77    80   0.34400  1.0 1.0
   72    74    77    80   0.09450 -1.0 2.0
   72    74    77    80   0.11100  1.0 3.0
   73    72    74    75   0.33100  1.0 3.0
   73    72    74    76   0.33100  1.0 3.0
   73    72    74    77   0.00000  1.0 1.0
   74    77    80    81   0.15000  1.0 3.0
   74    77    80    82   0.15000  1.0 3.0
   74    77    80    83  -1.63150  1.0 1.0
   74    77    80    83  -0.43550 -1.0 2.0
   74    77    80    83   0.24500  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    83    84   0.41150 -1.0 2.0
   77    80    83    85   0.41150 -1.0 2.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83  -0.11250  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83  -0.11250  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    85   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   82    80    83    85   0.00000  1.0 1.0
   39    33    38    41  -0.28300  1.0 1.0
   39    33    38    41   0.26700 -1.0 2.0
   39    33    38    41  -0.63300  1.0 3.0
   39    33    38    55   0.09700  1.0 1.0
   39    33    38    55   0.15600 -1.0 2.0
   39    33    38    55  -0.50800  1.0 3.0
   39    43    47    48   0.00000  1.0 1.0
   39    43    47    49   0.00000  1.0 1.0
   39    43    47    52   0.09850  1.0 1.0
   39    43    47    52   0.15250 -1.0 2.0
   39    43    47    52  -0.50650  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    54   0.15000  1.0 3.0
   43    47    52    57   0.34400  1.0 1.0
   43    47    52    57   0.09450 -1.0 2.0
   43    47    52    57   0.11100  1.0 3.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    52   0.00000  1.0 1.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    59   0.15000  1.0 3.0
   47    52    57    63   0.56750  1.0 1.0
   47    52    57    63  -0.07550 -1.0 2.0
   47    52    57    63   0.20000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    57   0.15000  1.0 3.0
   52    57    63    64   0.15000  1.0 3.0
   52    57    63    65   0.15000  1.0 3.0
   52    57    63    68   0.56750  1.0 1.0
   52    57    63    68  -0.07550 -1.0 2.0
   52    57    63    68   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    63   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    63   0.15000  1.0 3.0
   57    63    68    69   0.15000  1.0 3.0
   57    63    68    70   0.15000  1.0 3.0
   57    63    68    71   0.15000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    68   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    68   0.15000  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    71   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
   33    55    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   41    46    45    50   1.10000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   60    67    66    72  15.00000 -1.0 2.0
   74    73    72    66  15.00000 -1.0 2.0
   84    80    83    85  10.50000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
END
