* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    139    225     411
    1     0 S   NP   _N1_     1    28.94456    93.69167   -20.61978
    2     1 S   H    _HN1     2     1.02974    33.22987   117.18165
    3     1 S   H    _H1_     3     1.02790    82.55371  -103.19427
    4     1 S   H    _H2_     4     1.02854    95.94373     4.49200
    5     1 S   CT   _CA1     5     1.50562   141.48092   140.38974
    6     5 S   HC   _HA1     6     1.09678   104.62234    50.50410
    7     5 S   CO3  _C1_     7     1.54472   110.85801   -65.30730
    8     7 S   O2Z  _O11     8     1.26112   116.82384  -122.22986
    9     7 S   O2Z  _O12     9     1.26556   113.76090    56.93061
   10     5 S   CT   _CB1    10     1.53075   106.98972   166.65517
   11    10 S   HC   HB11    11     1.09837   110.05278   -41.21626
   12    10 S   HC   HB12    12     1.09791   110.01041    75.36624
   13    10 S   CT   _CG1    13     1.53114   112.54752  -161.87739
   14    13 S   HC   HG11    14     1.09447   110.87430   -54.10170
   15    13 S   HC   HG12    15     1.09635   109.98852    64.89575
   16    13 S   C    _CD1    16     1.51782   111.86750  -175.05514
   17    16 S   O    _OE1    17     1.22762   123.08452   -10.41023
   18    16 S   N    _N2_    18     1.38607   111.91666   169.93233
   19    18 S   H    _HN2    19     1.01591   119.20289     1.97912
   20    18 S   CT1  _CA2    20     1.46272   123.12317  -176.74641
   21    20 S   HC   _HA2    21     1.09723   109.37742    -8.98597
   22    20 S   C    _C2_    22     1.53367   108.75785  -124.92966
   23    22 S   O    _O2_    23     1.23029   122.11907  -147.16667
   24    20 S   CT   _CB2    32     1.53466   111.27206   112.72479
   25    24 S   HC   HB21    33     1.09381   109.39670    60.81306
   26    24 S   HC   HB22    34     1.09527   110.56883   178.64607
   27    22 S   N    _N3_    24     1.38470   113.47315    40.21896
   28    27 S   H    _HN3    25     1.01521   118.91073    -0.66852
   29    24 S   S    _SG2    35     1.83035   111.53327   -61.95888
   30    27 S   CT   _CA3    26     1.45453   123.49981   175.18883
   31    30 S   HC   HA31    27     1.09519   109.31197    23.01024
   32    30 S   HC   HA32    28     1.09498   107.10590   140.01455
   33    29 S   CT   _C10    36     1.84233   100.45927   144.97526
   34    33 S   HC   _H3_    37     1.09699   106.00844    54.01978
   35    30 S   CO3  _C3_    29     1.52915   113.04948  -100.52469
   36    35 S   O2Z  _O31    30     1.26405   115.37073   -45.49950
   37    35 S   O2Z  _O32    31     1.26350   115.00788   135.42582
   38    33 S   CA   _C9_    38     1.52127   112.04888   -65.72717
   39    33 S   CT   _C11    51     1.53882   108.02479   170.02035
   40    39 S   HC   _H7_    52     1.09755   111.20770    67.17870
   41    39 S   HC   _H8_    53     1.09829   110.31962   -51.89884
   42    38 S   CA   _C4_    39     1.40626   119.21044   120.82137
   43    42 S   HA   _H4_    40     1.08788   120.24572     0.16786
   44    39 S   C    _C12    54     1.52111   112.91589  -170.25353
   45    44 S   O    _O33    55     1.22780   123.16756    18.15985
   46    42 S   CA   _C5_    41     1.39569   121.04592  -179.98022
   47    46 S   HA   _H5_    42     1.08606   119.37194  -179.80923
   48    44 S   N    _N4_    56     1.38638   111.95452  -163.34683
   49    48 S   H    _H9_    57     1.01515   119.45346    -1.51749
   50    46 S   CA   _C6_    43     1.39134   119.59460    -0.14265
   51    48 S   CT   _C13    58     1.45273   122.77275   176.98455
   52    51 S   HC   _H10    59     1.09514   106.70160   132.61269
   53    51 S   HC   _H11    60     1.09494   109.71803    16.12712
   54    50 S   CA   _C7_    44     1.39200   120.16526    -0.10835
   55    50 S   OH   _O36    49     1.36713   120.44193  -179.62361
   56    55 S   HO   _H21    50     0.97206   108.67909    -0.87982
   57    51 S   CT   _C14    61     1.52917   112.02406  -107.55892
   58    57 S   HC   _H12    62     1.09696   109.01856  -176.73907
   59    57 S   HC   _H13    63     1.09784   109.18936   -60.88631
   60    38 S   CA   _C8_    45     1.40498   122.23232   -59.64659
   61    60 S   HA   _H6_    46     1.08724   120.16592     0.01978
   62    54 S   OH   _O35    47     1.36699   118.99486  -179.40653
   63    62 S   HO   _H20    48     0.97618   109.26315  -176.00472
   64    57 S   C5B  _C15    64     1.49695   113.87036    61.44413
   65    64 S   C5A  _C16    65     1.38148   125.87986  -107.46824
   66    65 S   HA   _H14    66     1.08137   131.18327     0.32626
   67    65 S   NA   _N5_    67     1.36719   108.51093  -179.76015
   68    67 S   H    _H15    68     1.01101   124.97811  -179.44327
   69    67 S   C56A _C17    69     1.37460   110.21728    -0.36691
   70    69 S   CA   _C22    70     1.40010   129.95158  -179.62466
   71    70 S   HA   _H18    71     1.08488   121.37437    -0.10468
   72    70 S   CA   _C21    72     1.39645   117.68345   179.78330
   73    72 S   HA   _H17    73     1.08697   119.36639  -179.86878
   74    72 S   CA   _C20    74     1.39065   120.48867     0.18345
   75    74 S   CA   _C19    75     1.39894   121.57290     0.00000
   76    75 S   HA   _H16    76     1.08560   120.88523  -180.00000
   77    74 S   OH   _O34    78     1.36840   117.85082   179.97202
   78    77 S   HO   _H19    79     0.97235   108.54544   179.51503
   79    64 S   C56B _C18    77     1.43350   127.38025    72.52664
  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
  14   7   2   1   1  13   9   4   3   8   4   7   3   7   3   8
   4   7   8   5   4   6   3   1   9   4   3   3   1   1   1  10
   7   4   7   3   8   7   4   7   3   5   4   2   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    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    50    54    60    61    62    39    40    41    44  
   40    41    44    45    48    49    51    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    50    54    60    61    55  
   46    47    50    60  
   45    48    49    51    52    53    57  
   48    49    51  
   47    50    54    60    62    55    56  
   50    54    55  
   49    51    52    53    57    58    59    64  
   51    52    53    57  
   54    60    61    62    63    55    56  
   52    53    57    58    59    64    65    79  
   53    57    58    59    64  
   57    58    59    64  
   60    61    62    63    55    56  
   56    60    62  
    0  
   58    59    64    65    66    67    69    75    79  
   59    64    65    79  
   64    65    79  
   61    62    63  
   62  
   63  
    0  
   65    66    67    68    69    70    74    75    76    79  
   66    67    68    69    70    75    79  
   67    68    69    79  
   68    69    70    71    72    75    79  
   69    70    79  
   70    71    72    73    74    75    76    79  
   71    72    73    74    75    79    77  
   72    73    74    79  
   73    74    75    76    79    77    78  
   74    75    77  
   75    76    79    77    78  
   76    79    77    78  
   79    77  
   78    79  
    0  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.064100   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.076700   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    54   469.000  1.400
   50    55   450.000  1.364
   54    60   469.000  1.400
   54    62   450.000  1.364
   60    61   367.000  1.080
   62    63   553.000  0.945
   55    56   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    51   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   295.000  1.494
   64    65   520.000  1.370
   64    79   380.000  1.440
   65    66   367.000  1.080
   65    67   427.000  1.381
   67    68   434.000  1.010
   67    69   428.000  1.380
   69    70   469.000  1.400
   69    79   447.000  1.419
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.404
   77    78   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    54    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    50    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    50    54    63.00000  120.00000
   46    50    55    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    60    63.00000  120.00000
   50    54    62    70.00000  120.00000
   50    55    56    35.00000  113.00000
   54    60    61    35.00000  120.00000
   54    62    63    35.00000  113.00000
   60    38    42    63.00000  120.00000
   62    54    60    70.00000  120.00000
   55    50    54    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    49    35.00000  119.80000
   44    48    51    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    57    70.00000  110.72300
   51    48    49    38.00000  118.40000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    64    70.00000  112.62400
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    64    65    55.00000  127.77900
   57    64    79    55.00000  128.73000
   59    57    58    33.00000  107.80000
   64    57    58    45.00000  111.11700
   64    57    59    45.00000  111.11700
   64    65    66    35.00000  130.70000
   64    65    67    70.00000  106.30000
   64    79    69    80.00000  107.43600
   64    79    75    50.00000  134.85500
   65    67    68    35.00000  120.00000
   65    67    69    90.00000  107.14200
   67    65    66    35.00000  121.60000
   67    69    70    70.00000  132.80000
   67    69    79    70.00000  104.40000
   69    67    68    35.00000  123.10000
   69    70    71    35.00000  120.00000
   69    70    72    85.00000  120.00000
   69    79    75    85.00000  116.20000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    77    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   79    64    65    80.00000  105.82900
   79    69    70    85.00000  122.70000
   79    75    76    35.00000  120.00000
   77    74    75    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    54   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   1.39750  1.0 1.0
   33    39    44    48  -0.07950 -1.0 2.0
   33    39    44    48  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    50   3.62500 -1.0 2.0
   42    38    60    54   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46   -50    54   3.62500 -1.0 2.0
   42    46    50    55   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    50    54    60   3.62500 -1.0 2.0
   46    50    54    62   3.62500 -1.0 2.0
   46    50    55    56   0.84100 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    55   3.62500 -1.0 2.0
   50    54   -60    38   3.62500 -1.0 2.0
   50    54    60    61   3.62500 -1.0 2.0
   50    54    62    63   0.84100 -1.0 2.0
   54    50    55    56   0.84100 -1.0 2.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   60    54    62    63   0.84100 -1.0 2.0
   62    54    60    38   3.62500 -1.0 2.0
   62    54    60    61   3.62500 -1.0 2.0
   55    50    54    60   3.62500 -1.0 2.0
   55    50    54    62   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    49   2.45000 -1.0 2.0
   39    44    48    51   1.49850  1.0 1.0
   39    44    48    51   1.53950 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   0.00000  1.0 1.0
   44    48    51    53   0.00000  1.0 1.0
   44    48    51    57  -0.43950  1.0 1.0
   44    48    51    57  -0.08100 -1.0 2.0
   44    48    51    57   0.03350  1.0 3.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    51   3.04450 -1.0 2.0
   48    51    57    58   0.15000  1.0 3.0
   48    51    57    59   0.15000  1.0 3.0
   48    51    57    64   0.08550  1.0 1.0
   48    51    57    64   1.07500 -1.0 2.0
   48    51    57    64  -0.10950  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   49    48    51    57   0.00000  1.0 1.0
   51    57    64    65   0.04150 -1.0 2.0
   51    57    64    79   0.04150 -1.0 2.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    64   0.43200  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    64   0.43200  1.0 3.0
   57    64    65    66   3.62500 -1.0 2.0
   57    64    65    67   3.62500 -1.0 2.0
   57    64    79    69   3.62500 -1.0 2.0
   57    64    79    75   3.62500 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    79   0.00000  1.0 1.0
   59    57    64    65   0.00000  1.0 1.0
   59    57    64    79   0.00000  1.0 1.0
   64    65    67    68   1.40000 -1.0 2.0
   64    65   -67    69   3.62500 -1.0 2.0
   65    64   -79    69   3.50000 -1.0 2.0
   65    64    79    75   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67   -69    79   3.62500 -1.0 2.0
   66    65    67    68   2.00000 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    70    71   3.62500 -1.0 2.0
   67    69    70    72   3.62500 -1.0 2.0
   67    69   -79    64   3.00000 -1.0 2.0
   67    69    79    75   3.00000 -1.0 2.0
   68    67    69    70   1.52500 -1.0 2.0
   68    67    69    79   1.52500 -1.0 2.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70    72    74   3.62500 -1.0 2.0
   70    69    79    64   3.00000 -1.0 2.0
   70    69    79    75   3.00000 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    77   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74    75    79   3.62500 -1.0 2.0
   72    74    77    78   0.84100 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75    79    64   3.62500 -1.0 2.0
   74    75   -79    69   3.50000 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   76    75    79    64   3.62500 -1.0 2.0
   76    75    79    69   3.50000 -1.0 2.0
   79    64    65    66   3.62500 -1.0 2.0
   79    64   -65    67   3.62500 -1.0 2.0
   79    69    70    71   3.62500 -1.0 2.0
   79    69   -70    72   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   54    55    50    46   4.00000 -1.0 2.0
   60    62    54    50   4.00000 -1.0 2.0
   54    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   49    44    48    51   1.00000 -1.0 2.0
   65    79    64    57   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   68    65    67    69   1.00000 -1.0 2.0
   70    79    69    67   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   69    75    79    64   4.00000 -1.0 2.0
END
