* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    149    223     432
    1     0 S   NP   _N1_     1    28.88167    95.65481   -19.68862
    2     1 S   H    _HN1     2     1.02770    81.32768   -58.33604
    3     1 S   H    _H1_     3     1.02973    94.40193    49.57732
    4     1 S   H    _H2_     4     1.02827    35.50831   163.00373
    5     1 S   CT   _CA1     5     1.50189   144.77667  -175.00962
    6     5 S   HC   _HA1     6     1.09585   105.14298    45.59545
    7     5 S   CO3  _C1_     7     1.53766   112.38534   -74.26419
    8     7 S   O2Z  _O11     8     1.26347   114.97839   -41.43393
    9     7 S   O2Z  _O12     9     1.26245   114.91620   137.40951
   10     5 S   CT   _CB1    10     1.53090   107.31901   163.24652
   11    10 S   HC   HB11    11     1.09800   109.00990   -51.62737
   12    10 S   HC   HB12    12     1.09823   110.49624    64.79622
   13    10 S   CT   _CG1    13     1.52982   112.81546  -173.01329
   14    13 S   HC   HG11    14     1.09484   110.06255   -65.85957
   15    13 S   HC   HG12    15     1.09638   110.26024    53.03826
   16    13 S   C    _CD1    16     1.51902   112.22887   172.65837
   17    16 S   O    _OE1    17     1.22755   123.03484   -19.64633
   18    16 S   N    _N2_    18     1.38560   111.92388   162.24060
   19    18 S   H    _HN2    19     1.01563   118.82706    -0.91193
   20    18 S   CT1  _CA2    20     1.46329   123.54236   178.61732
   21    20 S   HC   _HA2    21     1.09721   109.27952   -18.03714
   22    20 S   C    _C2_    22     1.53469   107.85087  -133.71814
   23    22 S   O    _O2_    23     1.23010   122.33056  -145.52530
   24    20 S   CT   _CB2    32     1.53465   111.84119   104.50752
   25    24 S   HC   HB21    33     1.09541   109.43108    55.10405
   26    24 S   HC   HB22    34     1.09504   110.57715   173.42616
   27    22 S   N    _N3_    24     1.38513   113.35412    41.54898
   28    27 S   H    _HN3    25     1.01535   118.92327    -0.17246
   29    24 S   S    _SG2    35     1.82793   112.09567   -67.06130
   30    27 S   CT   _CA3    26     1.45429   123.37073   175.56831
   31    30 S   HC   HA31    27     1.09531   109.12166    26.35418
   32    30 S   HC   HA32    28     1.09492   107.14146   143.33336
   33    29 S   CT   _C24    36     1.83943    99.71504   149.00536
   34    33 S   HC   _H3_    37     1.09147   106.82574   -42.17406
   35    30 S   CO3  _C3_    29     1.52925   113.20754   -97.05271
   36    35 S   O2Z  _O31    30     1.26395   115.44967   -43.13241
   37    35 S   O2Z  _O32    31     1.26360   114.94207   137.80087
   38    33 S   CM   _C16    38     1.51095   107.41870  -161.42929
   39    38 S   HC   _H34    39     1.09216   114.69016   -68.24845
   40    33 S   CT   _C23    64     1.53754   110.38810    75.87288
   41    40 S   HC   _H47    65     1.09883   110.49574    63.09784
   42    40 S   HC   _H48    66     1.09793   109.73742   -53.91276
   43    38 S   CMA  _C17    40     1.35436   128.37022   111.64900
   44    43 S   OM   _O22    41     1.26264   128.67895  -179.96044
   45    40 S   CT   _C21    67     1.53525   112.16083  -174.54454
   46    45 S   HC   _H43    68     1.09753   110.10480    54.83572
   47    45 S   HC   _H44    69     1.09680   110.79399   -62.05923
   48    43 S   CT   _C22    42     1.53059   120.12336     0.57027
   49    48 S   HC   _H45    43     1.10160   111.60884   153.25247
   50    48 S   HC   _H46    44     1.09801   109.63792    39.56128
   51    45 S   CA   _C11    70     1.50918   111.51005   176.32113
   52    48 S   CT   _C20    45     1.53754   112.33250   -83.98147
   53    52 S   HC   _H41    46     1.09659   111.24495    45.77037
   54    52 S   HC   _H42    47     1.09773   109.94472   -70.65466
   55    51 S   CA   _C5_    71     1.40011   120.25387    89.78736
   56    55 S   HA   _H29    72     1.08729   120.34060     0.80137
   57    52 S   CA   _C10    48     1.50895   111.93340   167.03046
   58    55 S   CA   _C7_    73     1.39326   120.32414  -179.14935
   59    58 S   HA   _H31    74     1.08613   119.37346  -179.85329
   60    57 S   CA   _C4_    49     1.39850   120.57435    97.85777
   61    60 S   HA   _H28    50     1.08722   120.39211     0.39713
   62    58 S   CA   _C13    75     1.39506   119.64738     0.25869
   63    60 S   CA   _C6_    51     1.39337   120.25086   179.69353
   64    63 S   HA   _H30    52     1.08607   119.28945  -179.39413
   65    62 S   CA   _C15    76     1.39998   121.14740     0.09487
   66    62 S   OH   _O24    84     1.37046   119.78600   180.00000
   67    66 S   HO   _H51    85     0.97203   108.79018     0.12667
   68    63 S   CA   _C12    53     1.39551   119.71798     0.38052
   69    51 S   CA   _C9_    77     1.40535   120.30679   -88.78333
   70    69 S   HA   _H33    78     1.08632   118.09369    -0.78509
   71    65 S   OS   _O26    79     1.37058   116.08707   179.78602
   72    68 S   CA   _C14    54     1.39945   121.15221     0.12511
   73    68 S   OH   _O23    62     1.37056   119.77645  -179.92338
   74    73 S   HO   _H50    63     0.97209   108.63970     1.59152
   75    71 S   CT   _C19    80     1.42222   117.15165  -179.68910
   76    75 S   HC   _H38    81     1.09429   107.74801   179.88986
   77    75 S   HC   _H39    82     1.09500   111.14692    62.16307
   78    75 S   HC   _H40    83     1.09498   111.14208   -62.38010
   79    57 S   CA   _C8_    55     1.40614   120.02249   -81.72713
   80    79 S   HA   _H32    56     1.08552   117.99681     0.01978
   81    72 S   OS   _O25    57     1.37053   116.22032   179.73607
   82    81 S   CT   _C18    58     1.42245   117.18677  -179.87180
   83    82 S   HC   _H35    59     1.09425   107.75903   179.29751
   84    82 S   HC   _H36    60     1.09501   111.24143    61.50708
   85    82 S   HC   _H37    61     1.09431   111.08212   -63.05313
  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
  13   7   2   1   1  11   4   9   5   4   8   4   9   4   3   8
   5   4   9   9   4   3   8   4   9   7   3   8   4   7   7   3
   9   3   1   7   3   1   4   9   3   1   3   2   1   1   3   1
   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47    51  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    50    52    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    51    55    69    43  
   42    45    46    47    51  
   45    46    47    51  
   44    48    49    50    52    53    54    57  
   48    49    50    52  
   46    47    51    55    56    58    65    69    70  
   47    51    55    69  
   51    55    69  
   49    50    52    53    54    57    60    79  
   50    52    53    54    57  
   52    53    54    57  
   55    56    58    59    62    65    69    70    71  
   53    54    57    60    61    63    72    79    80  
   54    57    60    79  
   57    60    79  
   56    58    59    62    65    69    70    66  
   58    59    62    69  
   60    61    63    64    68    72    79    80    81  
   59    62    65    69    71    66    67  
   62    65    66  
   61    63    64    68    72    79    80    73  
   63    64    68    79  
   65    69    70    71    75    66    67  
   64    68    72    79    81    73    74  
   68    72    73  
   69    70    71    75    76    77    78    66    67  
   67    69    71  
    0  
   72    79    80    81    82    73    74  
   70    71    75  
   71  
   75    76    77    78  
   79    80    81    82    83    84    85    73    74  
   74    79    81  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82  
   81  
   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    60   469.000  1.400
   57    79   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    72   469.000  1.400
   68    73   450.000  1.364
   72    79   469.000  1.400
   72    81   450.000  1.364
   79    80   367.000  1.080
   81    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   73    74   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.510
   51    55   469.000  1.400
   51    69   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    65   469.000  1.400
   62    66   450.000  1.364
   65    69   469.000  1.400
   65    71   450.000  1.364
   69    70   367.000  1.080
   71    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   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    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    65.00000  122.18000
   43    38    39    40.00000  120.50800
   43    48    49    45.00000  110.52000
   43    48    50    45.00000  110.52000
   43    48    52    70.00000  112.02700
   48    43    44    85.00000  112.85300
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    57    70.00000  112.17500
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    57    60    70.00000  120.00000
   52    57    79    70.00000  120.00000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    63    63.00000  120.00000
   57    79    72    63.00000  120.00000
   57    79    80    35.00000  120.00000
   60    63    64    35.00000  120.00000
   60    63    68    63.00000  120.00000
   63    60    61    35.00000  120.00000
   63    68    72    63.00000  120.00000
   63    68    73    70.00000  120.00000
   68    63    64    35.00000  120.00000
   68    72    79    63.00000  120.00000
   68    72    81    70.00000  120.00000
   68    73    74    35.00000  113.00000
   72    79    80    35.00000  120.00000
   72    81    82    75.00000  111.00000
   79    57    60    63.00000  120.00000
   81    72    79    70.00000  120.00000
   81    82    83    35.00000  109.50000
   81    82    84    35.00000  109.50000
   81    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   73    68    72    70.00000  120.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    51    70.00000  112.17500
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    51    55    70.00000  120.00000
   45    51    69    70.00000  120.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    55    56    35.00000  120.00000
   51    55    58    63.00000  120.00000
   51    69    65    63.00000  120.00000
   51    69    70    35.00000  120.00000
   55    58    59    35.00000  120.00000
   55    58    62    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    62    65    63.00000  120.00000
   58    62    66    70.00000  120.00000
   62    58    59    35.00000  120.00000
   62    65    69    63.00000  120.00000
   62    65    71    70.00000  120.00000
   62    66    67    35.00000  113.00000
   65    69    70    35.00000  120.00000
   65    71    75    75.00000  111.00000
   69    51    55    63.00000  120.00000
   71    65    69    70.00000  120.00000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    62    65    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  -0.62250  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    51  -0.03700  1.0 1.0
   33    40    45    51   0.37200 -1.0 2.0
   33    40    45    51  -0.47300  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.34400  1.0 1.0
   38    33    40    45   0.09450 -1.0 2.0
   38    33    40    45   0.11100  1.0 3.0
   38    43    48    49   0.00000  1.0 1.0
   38    43    48    50   0.00000  1.0 1.0
   38    43    48    52   0.09850  1.0 1.0
   38    43    48    52   0.15250 -1.0 2.0
   38    43    48    52  -0.50650  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    52    53   0.15000  1.0 3.0
   43    48    52    54   0.15000  1.0 3.0
   43    48    52    57   0.21200  1.0 1.0
   43    48    52    57   0.16900 -1.0 2.0
   43    48    52    57  -1.15100  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    52   0.09700  1.0 1.0
   44    43    48    52   0.15600 -1.0 2.0
   44    43    48    52  -0.50800  1.0 3.0
   48    52    57    60   0.04150 -1.0 2.0
   48    52    57    79   0.04150 -1.0 2.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    57   0.43200  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    54   0.15000  1.0 3.0
   50    48    52    57   0.43200  1.0 3.0
   52    57    60    61   3.62500 -1.0 2.0
   52    57    60    63   3.62500 -1.0 2.0
   52    57    79    72   3.62500 -1.0 2.0
   52    57    79    80   3.62500 -1.0 2.0
   53    52    57    60   0.00000  1.0 1.0
   53    52    57    79   0.00000  1.0 1.0
   54    52    57    60   0.00000  1.0 1.0
   54    52    57    79   0.00000  1.0 1.0
   57    60    63    64   3.62500 -1.0 2.0
   57    60    63    68   3.62500 -1.0 2.0
   60    57    79    72   3.62500 -1.0 2.0
   60    57    79    80   3.62500 -1.0 2.0
   60    63   -68    72   3.62500 -1.0 2.0
   60    63    68    73   3.62500 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   61    60    63    68   3.62500 -1.0 2.0
   63    68    72    79   3.62500 -1.0 2.0
   63    68    72    81   3.62500 -1.0 2.0
   63    68    73    74   0.84100 -1.0 2.0
   64    63    68    72   3.62500 -1.0 2.0
   64    63    68    73   3.62500 -1.0 2.0
   68    72   -79    57   3.62500 -1.0 2.0
   68    72    79    80   3.62500 -1.0 2.0
   68    72    81    82   1.63200 -1.0 2.0
   72    68    73    74   0.84100 -1.0 2.0
   72    81    82    83   0.08050  1.0 3.0
   72    81    82    84   0.08050  1.0 3.0
   72    81    82    85   0.08050  1.0 3.0
   79    57    60    61   3.62500 -1.0 2.0
   79    57   -60    63   3.62500 -1.0 2.0
   79    72    81    82   1.63200 -1.0 2.0
   81    72    79    57   3.62500 -1.0 2.0
   81    72    79    80   3.62500 -1.0 2.0
   73    68    72    79   3.62500 -1.0 2.0
   73    68    72    81   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    51    55   0.04150 -1.0 2.0
   40    45    51    69   0.04150 -1.0 2.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    51   0.43200  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    51   0.43200  1.0 3.0
   45    51    55    56   3.62500 -1.0 2.0
   45    51    55    58   3.62500 -1.0 2.0
   45    51    69    65   3.62500 -1.0 2.0
   45    51    69    70   3.62500 -1.0 2.0
   46    45    51    55   0.00000  1.0 1.0
   46    45    51    69   0.00000  1.0 1.0
   47    45    51    55   0.00000  1.0 1.0
   47    45    51    69   0.00000  1.0 1.0
   51    55    58    59   3.62500 -1.0 2.0
   51    55    58    62   3.62500 -1.0 2.0
   55    51    69    65   3.62500 -1.0 2.0
   55    51    69    70   3.62500 -1.0 2.0
   55    58   -62    65   3.62500 -1.0 2.0
   55    58    62    66   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    62    65    69   3.62500 -1.0 2.0
   58    62    65    71   3.62500 -1.0 2.0
   58    62    66    67   0.84100 -1.0 2.0
   59    58    62    65   3.62500 -1.0 2.0
   59    58    62    66   3.62500 -1.0 2.0
   62    65   -69    51   3.62500 -1.0 2.0
   62    65    69    70   3.62500 -1.0 2.0
   62    65    71    75   1.63200 -1.0 2.0
   65    62    66    67   0.84100 -1.0 2.0
   65    71    75    76   0.08050  1.0 3.0
   65    71    75    77   0.08050  1.0 3.0
   65    71    75    78   0.08050  1.0 3.0
   69    51    55    56   3.62500 -1.0 2.0
   69    51   -55    58   3.62500 -1.0 2.0
   69    65    71    75   1.63200 -1.0 2.0
   71    65    69    51   3.62500 -1.0 2.0
   71    65    69    70   3.62500 -1.0 2.0
   66    62    65    69   3.62500 -1.0 2.0
   66    62    65    71   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   60    79    57    52   4.00000 -1.0 2.0
   63    61    60    57   1.10000 -1.0 2.0
   68    64    63    60   1.10000 -1.0 2.0
   72    73    68    63   4.00000 -1.0 2.0
   79    81    72    68   4.00000 -1.0 2.0
   72    80    79    57   1.10000 -1.0 2.0
   55    69    51    45   4.00000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   65    66    62    58   4.00000 -1.0 2.0
   69    71    65    62   4.00000 -1.0 2.0
   65    70    69    51   1.10000 -1.0 2.0
END
