* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    160    230     463
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02040   104.83661   -32.54563
    3     1 S   H    _H1_     3     1.02075    67.30065    71.86360
    4     1 S   H    _H2_     4     1.02087    45.53469  -134.33062
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO4  _C25    36     1.76731   100.46895   -78.12444
   34    33 S   O    _O41    37     1.22427   122.43326   -28.37600
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C24    38     1.51212   113.13941   149.99998
   39    38 S   HC   _H25    39     1.09485   109.48829    61.67718
   40    38 S   HC   _H26    40     1.09539   107.30865   -56.71507
   41    38 S   CO4  _C23    41     1.51700   115.69189  -177.45947
   42    41 S   O    _O40    42     1.23101   122.53972   -35.97655
   43    41 S   CT   _C22    43     1.51166   116.81953   147.75797
   44    43 S   HC   _H23    44     1.09484   108.85230   150.00495
   45    43 S   HC   _H24    45     1.09534   107.55901    33.56852
   46    43 S   CO4  _C21    46     1.51239   114.54774   -87.53359
   47    46 S   O    _O39    47     1.22990   122.40853    -2.85595
   48    46 S   CT   _C20    48     1.51147   116.67250   177.68624
   49    48 S   HC   _H21    49     1.09576   108.54315   -90.00089
   50    48 S   HC   _H22    50     1.09474   109.65203    26.43290
   51    48 S   CO4  _C19    51     1.51028   113.56818   148.14157
   52    51 S   O    _O38    52     1.23112   120.99043   -28.10499
   53    51 S   CT   _C18    53     1.51235   116.92225   151.41218
   54    53 S   HC   _H19    54     1.09523   108.46634    29.97657
   55    53 S   HC   _H20    55     1.09527   109.91979   147.38998
   56    53 S   CO4  _C17    56     1.51103   113.60476   -91.35656
   57    56 S   O    _O37    57     1.22971   121.21195     0.75589
   58    56 S   CT   _C16    58     1.51267   116.44736  -178.93284
   59    58 S   HC   _H17    59     1.09410   109.62362    60.00269
   60    58 S   HC   _H18    60     1.09554   107.91897   -56.82256
   61    58 S   CO4  _C15    61     1.51169   114.53247  -177.85881
   62    61 S   O    _O36    62     1.23215   121.08063   -91.78717
   63    61 S   CT   _C14    63     1.52522   117.71601    87.21326
   64    63 S   HC   _H15    64     1.09681   108.05707   -30.01899
   65    63 S   HC   _H16    65     1.09928   108.50354    83.11736
   66    63 S   CMA  _C13    66     1.52535   111.23967  -153.45368
   67    66 S   OM   _O42    67     1.26407   111.60695   -90.11324
   68    66 S   CM   _C12    68     1.35117   116.12705    91.19611
   69    68 S   HC   _H14    69     1.08659   120.15692    -0.59610
   70    68 S   CO4  _C11    70     1.49686   124.41635   179.96574
   71    70 S   O    _O35    71     1.22916   122.22973    -1.32987
   72    70 S   CT   _C10    72     1.51593   116.25930   179.96044
   73    72 S   HC   _H12    73     1.09352   110.20808   -30.02098
   74    72 S   HC   _H13    74     1.09522   107.08659    87.84417
   75    72 S   CO4  _C9_    75     1.51811   115.06579  -151.26204
   76    75 S   O    _O34    76     1.22891   121.90553    35.58186
   77    75 S   CT   _C8_    77     1.51618   115.40275  -147.07467
   78    77 S   HC   _H10    78     1.09496   108.32944    60.01917
   79    77 S   HC   _H11    79     1.09525   107.02970   -57.66348
   80    77 S   CO4  _C7_    80     1.51682   116.97199  -178.96203
   81    80 S   O    _O33    81     1.22960   122.48664    -2.00711
   82    80 S   CT   _C6_    82     1.52203   115.37683   178.35468
   83    82 S   HC   _H8_    83     1.09536   106.90617   -60.01502
   84    82 S   HC   _H9_    84     1.09553   108.59166    56.40856
   85    82 S   CT   _C5_    85     1.52690   113.97990   179.41183
   86    85 S   HC   _H6_    86     1.09554   108.69084    59.98489
   87    85 S   HC   _H7_    87     1.09513   110.66690   -57.24231
   88    85 S   CT   _C4_    88     1.52244   112.55709  -179.91844
   89    88 S   HC   _H3_    89     1.09406   111.61574    59.74067
   90    88 S   HC   _H4_    90     1.09451   110.92145   -61.09341
   91    88 S   HC   _H5_    91     1.09445   110.04234   179.48986
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   7   4   2   1   1   8   4   3   7   4   8   4   3   7   4   8
   4   3   7   4   8   4   3   7   4   8   4   3   7   4   7   4
   3   6   3   7   3   7   4   8   4   3   7   4   8   4   3   8
   4   9   5   4   6   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43  
   38    39    40    41  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46  
   40    41    42    43  
   41    42    43  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48  
   47    48    49    50    51    52    53  
   48    49    50    51  
   49    50    51    52    53    54    55    56  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    57    58  
   53    54    55    56  
   54    55    56    57    58    59    60    61  
   55    56    57    58  
   56    57    58  
   57    58    59    60    61    62    63  
   58    59    60    61  
   59    60    61    62    63    64    65    66  
   60    61    62    63  
   61    62    63  
   62    63    64    65    66    67    68  
   63    64    65    66  
   64    65    66    67    68    69    70  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72    73    74    75    76    77  
   72    73    74    75  
   73    74    75    76    77    78    79    80  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81    82  
   77    78    79    80  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85    86    87    88  
   82    83    84    85  
   83    84    85    86    87    88    89    90    91  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90    91  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   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   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   317.000  1.522
   46    47   570.000  1.229
   46    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.522
   51    52   570.000  1.229
   51    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   317.000  1.522
   56    57   570.000  1.229
   56    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.522
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   270.000  1.512
   66    67   745.000  1.250
   66    68   465.000  1.376
   68    69   340.000  1.080
   68    70   320.000  1.462
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.522
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.522
   80    81   570.000  1.229
   80    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   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    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    41    75.00000  107.99600
   38    33    34    80.00000  120.40000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    75.00000  107.99600
   43    41    42    80.00000  120.40000
   43    46    47    80.00000  120.40000
   43    46    48    70.00000  116.00000
   45    43    44    33.00000  107.80000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    75.00000  107.99600
   48    46    47    80.00000  120.40000
   48    51    52    80.00000  120.40000
   48    51    53    70.00000  116.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    75.00000  107.99600
   53    51    52    80.00000  120.40000
   53    56    57    80.00000  120.40000
   53    56    58    70.00000  116.00000
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    75.00000  107.99600
   58    56    57    80.00000  120.40000
   58    61    62    80.00000  120.40000
   58    61    63    70.00000  116.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    70.00000  109.06800
   63    61    62    80.00000  120.40000
   63    66    67    85.00000  112.85300
   63    66    68    65.00000  122.18000
   65    63    64    33.00000  107.80000
   66    63    64    45.00000  110.52000
   66    63    65    45.00000  110.52000
   66    68    69    40.00000  120.50800
   66    68    70    60.00000  125.92000
   68    66    67    65.00000  137.10300
   68    70    71    80.00000  123.72100
   68    70    72    65.00000  118.62400
   70    68    69    40.00000  117.72500
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    75.00000  107.99600
   72    70    71    80.00000  120.40000
   72    75    76    80.00000  120.40000
   72    75    77    70.00000  116.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    75.00000  107.99600
   77    75    76    80.00000  120.40000
   77    80    81    80.00000  120.40000
   77    80    82    70.00000  116.00000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    63.00000  111.10000
   82    80    81    80.00000  120.40000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    41   0.00000  1.0 1.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  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    38    41   0.30150 -1.0 2.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41    43    46   0.65300  1.0 1.0
   38    41    43    46  -0.03850 -1.0 2.0
   38    41    43    46   0.33900  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47   0.30150 -1.0 2.0
   41    43    46    48   0.65300  1.0 1.0
   41    43    46    48  -0.03850 -1.0 2.0
   41    43    46    48   0.33900  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    50   0.00000  1.0 1.0
   43    46    48    51   0.65300  1.0 1.0
   43    46    48    51  -0.03850 -1.0 2.0
   43    46    48    51   0.33900  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   45    43    46    47   0.00000  1.0 1.0
   45    43    46    48   0.00000  1.0 1.0
   46    48    51    52   0.30150 -1.0 2.0
   46    48    51    53   0.65300  1.0 1.0
   46    48    51    53  -0.03850 -1.0 2.0
   46    48    51    53   0.33900  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    51   0.30150 -1.0 2.0
   48    51    53    54   0.00000  1.0 1.0
   48    51    53    55   0.00000  1.0 1.0
   48    51    53    56   0.65300  1.0 1.0
   48    51    53    56  -0.03850 -1.0 2.0
   48    51    53    56   0.33900  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    53   0.00000  1.0 1.0
   51    53    56    57   0.30150 -1.0 2.0
   51    53    56    58   0.65300  1.0 1.0
   51    53    56    58  -0.03850 -1.0 2.0
   51    53    56    58   0.33900  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.30150 -1.0 2.0
   53    56    58    59   0.00000  1.0 1.0
   53    56    58    60   0.00000  1.0 1.0
   53    56    58    61   0.65300  1.0 1.0
   53    56    58    61  -0.03850 -1.0 2.0
   53    56    58    61   0.33900  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    58   0.00000  1.0 1.0
   56    58    61    62   0.30150 -1.0 2.0
   56    58    61    63   0.65300  1.0 1.0
   56    58    61    63  -0.03850 -1.0 2.0
   56    58    61    63   0.33900  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60   0.00000  1.0 1.0
   57    56    58    61   0.30150 -1.0 2.0
   58    61    63    64   0.00000  1.0 1.0
   58    61    63    65   0.00000  1.0 1.0
   58    61    63    66   0.65300  1.0 1.0
   58    61    63    66  -0.03850 -1.0 2.0
   58    61    63    66   0.33900  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.00000  1.0 1.0
   60    58    61    63   0.00000  1.0 1.0
   61    63    66    67   0.09700  1.0 1.0
   61    63    66    67   0.15600 -1.0 2.0
   61    63    66    67  -0.50800  1.0 3.0
   61    63    66    68  -0.51250  1.0 1.0
   61    63    66    68  -0.88800 -1.0 2.0
   61    63    66    68   0.08850  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.30150 -1.0 2.0
   63    66    68    69   7.00000 -1.0 2.0
   63    66    68    70   7.00000 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    68   0.00000  1.0 1.0
   66    68    70    71   1.00000 -1.0 2.0
   66    68    70    72  -0.33500  1.0 1.0
   66    68    70    72   1.06600 -1.0 2.0
   66    68    70    72  -0.14000  1.0 3.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    70   7.00000 -1.0 2.0
   68    70    72    73   0.00000  1.0 1.0
   68    70    72    74   0.00000  1.0 1.0
   68    70    72    75   0.65300  1.0 1.0
   68    70    72    75  -0.03850 -1.0 2.0
   68    70    72    75   0.33900  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.04550  1.0 1.0
   69    68    70    72   0.83000 -1.0 2.0
   69    68    70    72  -0.04000  1.0 3.0
   70    72    75    76   0.30150 -1.0 2.0
   70    72    75    77   0.65300  1.0 1.0
   70    72    75    77  -0.03850 -1.0 2.0
   70    72    75    77   0.33900  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    75   0.30150 -1.0 2.0
   72    75    77    78   0.00000  1.0 1.0
   72    75    77    79   0.00000  1.0 1.0
   72    75    77    80   0.65300  1.0 1.0
   72    75    77    80  -0.03850 -1.0 2.0
   72    75    77    80   0.33900  1.0 3.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    80    81   0.30150 -1.0 2.0
   75    77    80    82   0.65300  1.0 1.0
   75    77    80    82  -0.03850 -1.0 2.0
   75    77    80    82   0.33900  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.30150 -1.0 2.0
   77    80    82    83   0.00000  1.0 1.0
   77    80    82    84   0.00000  1.0 1.0
   77    80    82    85   0.60050  1.0 1.0
   77    80    82    85   0.05600 -1.0 2.0
   77    80    82    85   0.26150  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    82   0.00000  1.0 1.0
   80    82    85    86  -0.11250  1.0 3.0
   80    82    85    87  -0.11250  1.0 3.0
   80    82    85    88  -0.95700  1.0 1.0
   80    82    85    88  -0.18200 -1.0 2.0
   80    82    85    88   0.29450  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   0.00000  1.0 1.0
   81    80    82    85   0.30150 -1.0 2.0
   82    85    88    89   0.15000  1.0 3.0
   82    85    88    90   0.15000  1.0 3.0
   82    85    88    91   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    91   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    91   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
   29    38    33    34  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   43    48    46    47  10.50000 -1.0 2.0
   48    53    51    52  10.50000 -1.0 2.0
   53    58    56    57  10.50000 -1.0 2.0
   58    63    61    62  10.50000 -1.0 2.0
   63    67    66    68  15.00000 -1.0 2.0
   70    69    68    66  15.00000 -1.0 2.0
   68    72    70    71  10.50000 -1.0 2.0
   72    77    75    76  10.50000 -1.0 2.0
   77    82    80    81  10.50000 -1.0 2.0
END
