* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    138    223     407
    1     0 S   NP   _N1_     1    29.18269    97.94753   -21.89612
    2     1 S   H    _HN1     2     1.02952    66.12058    32.88874
    3     1 S   H    _H1_     3     1.02827    52.44075   171.05528
    4     1 S   H    _H2_     4     1.02783    90.86456   -76.84268
    5     1 S   CT   _CA1     5     1.50076   155.88951   119.65305
    6     5 S   HC   _HA1     6     1.09591   105.17686   100.45637
    7     5 S   CO3  _C1_     7     1.53765   112.65789   -19.51433
    8     7 S   O2Z  _O11     8     1.26328   115.07849   -41.27500
    9     7 S   O2Z  _O12     9     1.26314   114.92782   138.12482
   10     5 S   CT   _CB1    10     1.53130   107.43077  -141.82145
   11    10 S   HC   HB11    11     1.09814   109.13772   -53.03252
   12    10 S   HC   HB12    12     1.09808   110.52737    63.54289
   13    10 S   CT   _CG1    13     1.52872   112.53111  -174.24337
   14    13 S   HC   HG11    14     1.09535   110.20412   -68.87632
   15    13 S   HC   HG12    15     1.09682   109.92537    50.26418
   16    13 S   C    _CD1    16     1.51737   112.80344   170.81757
   17    16 S   O    _OE1    17     1.22674   123.49333     2.62167
   18    16 S   N    _N2_    18     1.38582   111.25449  -177.07691
   19    18 S   H    _HN2    19     1.01462   118.79586     0.80284
   20    18 S   CT1  _CA2    20     1.46032   123.89274   177.01915
   21    20 S   HC   _HA2    21     1.09707   109.40276     1.99390
   22    20 S   C    _C2_    22     1.53604   108.73974  -113.84424
   23    22 S   O    _O2_    23     1.23077   122.17617  -151.60000
   24    20 S   CT   _CB2    32     1.53256   111.32196   124.26587
   25    24 S   HC   HB21    33     1.09492   109.91025    56.57177
   26    24 S   HC   HB22    34     1.09475   110.06121   175.52311
   27    22 S   N    _N3_    24     1.38284   113.89043    35.67249
   28    27 S   H    _HN3    25     1.01581   119.52713    -3.31488
   29    24 S   S    _SG2    35     1.82754   111.68111   -64.50584
   30    27 S   CT   _CA3    26     1.45270   123.23343   177.49337
   31    30 S   HC   HA31    27     1.09548   107.51923   -64.51390
   32    30 S   HC   HA32    28     1.09558   107.97416    51.93397
   33    29 S   CT   _C10    36     1.84184    99.83666   166.45141
   34    33 S   HC   _H3_    37     1.09586   105.85535   -57.54068
   35    30 S   CO3  _C3_    29     1.52955   114.06610   173.88698
   36    35 S   O2Z  _O31    30     1.26379   116.06254    -1.21885
   37    35 S   O2Z  _O32    31     1.26429   114.41923   178.84377
   38    33 S   CA   _C9_    38     1.51804   112.00337    61.37700
   39    33 S   CT   _C11    50     1.53802   110.06466  -174.43127
   40    39 S   HC   _H8_    51     1.09749   112.05304   -52.04236
   41    39 S   HC   _H9_    52     1.09892   110.00766  -169.56489
   42    38 S   CA   _C4_    39     1.40480   119.55298  -113.86165
   43    42 S   HA   _H4_    40     1.08717   120.42969     0.11869
   44    39 S   C    _C12    53     1.51810   112.98316    70.68287
   45    44 S   O    _O33    54     1.22848   121.72299  -105.42860
   46    42 S   CA   _C5_    41     1.39558   120.75174   179.85463
   47    46 S   HA   _H5_    42     1.08624   119.86860  -179.85196
   48    44 S   N    _N4_    55     1.38415   112.98291    75.23576
   49    48 S   H    _H10    56     1.01501   119.11635     3.18137
   50    46 S   CA   _C6_    43     1.39075   119.62798     0.05935
   51    48 S   CT   _C13    57     1.45315   122.82830   175.97659
   52    51 S   HC   _H11    58     1.09548   110.00460    15.12715
   53    51 S   HC   _H12    59     1.09559   105.98605  -100.90148
   54    50 S   CA   _C7_    44     1.39186   120.72238    -0.01978
   55    54 S   HA   _H6_    45     1.08602   120.99596  -179.90721
   56    50 S   OH   _O35    48     1.36608   118.19223  -179.97202
   57    56 S   HO   _H21    49     0.97240   108.58960   179.72660
   58    51 S   CT   _C14    60     1.52687   112.32813   139.79362
   59    58 S   HC   _H13    61     1.09675   110.13249    51.03257
   60    58 S   HC   _H14    62     1.09767   108.57830   167.02595
   61    38 S   CA   _C8_    46     1.40517   121.85962    66.07598
   62    61 S   HA   _H7_    47     1.08740   120.51219    -0.18767
   63    58 S   C5B  _C15    63     1.49611   113.27493   -72.66241
   64    63 S   C5A  _C16    64     1.38117   125.75484   -79.85304
   65    64 S   HA   _H15    65     1.08151   131.22725     0.93753
   66    64 S   NA   _N5_    66     1.36727   108.55243  -178.82680
   67    66 S   H    _H16    67     1.01300   124.72314  -179.54286
   68    66 S   C56A _C17    68     1.37479   110.19036    -0.03426
   69    68 S   CA   _C22    69     1.40016   129.95495   179.55325
   70    69 S   HA   _H19    70     1.08526   121.37066    -0.08393
   71    69 S   CA   _C21    71     1.39664   117.69927   179.48187
   72    71 S   HA   _H18    72     1.08717   119.34963  -179.52276
   73    71 S   CA   _C20    73     1.39068   120.47435     0.52971
   74    73 S   CA   _C19    74     1.39896   121.57748    -0.07402
   75    74 S   HA   _H17    75     1.08556   120.84471   179.88809
   76    73 S   OH   _O34    77     1.36825   117.85949   179.97202
   77    76 S   HO   _H20    78     0.97218   108.63885  -177.70186
   78    63 S   C56B _C18    76     1.43363   127.50622   101.08675
  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   6   8   5   4   5   3   2   1   9   4   3   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    61    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    61    62    39    40    41    44    45    48  
   38    42    61    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    50    54    55    61    62    39    40    41    44  
   40    41    44    45    48    49    51    42    61  
   41    44    45    48  
   44    45    48  
   43    46    47    50    54    61    62    56  
   46    47    50    61  
   45    48    49    51    52    53    58  
   48    49    51  
   47    50    54    55    61    56    57  
   50    54    56  
   49    51    52    53    58    59    60    63  
   51    52    53    58  
   54    55    61    62    56    57  
   52    53    58    59    60    63    64    78  
   53    58    59    60    63  
   58    59    60    63  
   55    61    62    56    57  
   61    62    56  
   57    61  
    0  
   59    60    63    64    65    66    68    74    78  
   60    63    64    78  
   63    64    78  
   62  
    0  
   64    65    66    67    68    69    73    74    75    78  
   65    66    67    68    69    74    78  
   66    67    68    78  
   67    68    69    70    71    74    78  
   68    69    78  
   69    70    71    72    73    74    75    78  
   70    71    72    73    74    78    76  
   71    72    73    78  
   72    73    74    75    78    76    77  
   73    74    76  
   74    75    78    76    77  
   75    78    76    77  
   78    76  
   77    78  
    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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   67   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.076700   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   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    61   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    56   450.000  1.364
   54    55   367.000  1.080
   54    61   469.000  1.400
   61    62   367.000  1.080
   56    57   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    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   295.000  1.494
   63    64   520.000  1.370
   63    78   380.000  1.440
   64    65   367.000  1.080
   64    66   427.000  1.381
   66    67   434.000  1.010
   66    68   428.000  1.380
   68    69   469.000  1.400
   68    78   447.000  1.419
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    76   450.000  1.364
   74    75   367.000  1.080
   74    78   469.000  1.404
   76    77   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    61    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    61    54    63.00000  120.00000
   38    61    62    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    56    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    61    63.00000  120.00000
   50    56    57    35.00000  113.00000
   54    61    62    35.00000  120.00000
   61    38    42    63.00000  120.00000
   61    54    55    35.00000  120.00000
   56    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    58    70.00000  110.72300
   51    48    49    38.00000  118.40000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    63    70.00000  112.62400
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    63    64    55.00000  127.77900
   58    63    78    55.00000  128.73000
   60    58    59    33.00000  107.80000
   63    58    59    45.00000  111.11700
   63    58    60    45.00000  111.11700
   63    64    65    35.00000  130.70000
   63    64    66    70.00000  106.30000
   63    78    68    80.00000  107.43600
   63    78    74    50.00000  134.85500
   64    66    67    35.00000  120.00000
   64    66    68    90.00000  107.14200
   66    64    65    35.00000  121.60000
   66    68    69    70.00000  132.80000
   66    68    78    70.00000  104.40000
   68    66    67    35.00000  123.10000
   68    69    70    35.00000  120.00000
   68    69    71    85.00000  120.00000
   68    78    74    85.00000  116.20000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    76    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  120.00000
   73    74    78    63.00000  120.00000
   73    76    77    35.00000  113.00000
   78    63    64    80.00000  105.82900
   78    68    69    85.00000  122.70000
   78    74    75    35.00000  120.00000
   76    73    74    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    61  -0.16000  1.0 1.0
   29    33    38    61  -0.03200 -1.0 2.0
   29    33    38    61   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    61    54   3.62500 -1.0 2.0
   33    38    61    62   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    61   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    61    54   3.62500 -1.0 2.0
   42    38    61    62   3.62500 -1.0 2.0
   42    46   -50    54   3.62500 -1.0 2.0
   42    46    50    56   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    55   3.62500 -1.0 2.0
   46    50    54    61   3.62500 -1.0 2.0
   46    50    56    57   0.84100 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    56   3.62500 -1.0 2.0
   50    54   -61    38   3.62500 -1.0 2.0
   50    54    61    62   3.62500 -1.0 2.0
   54    50    56    57   0.84100 -1.0 2.0
   55    54    61    38   3.62500 -1.0 2.0
   55    54    61    62   3.62500 -1.0 2.0
   61    38    42    43   3.62500 -1.0 2.0
   61    38   -42    46   3.62500 -1.0 2.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    61   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    61   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    58  -0.43950  1.0 1.0
   44    48    51    58  -0.08100 -1.0 2.0
   44    48    51    58   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    58    59   0.15000  1.0 3.0
   48    51    58    60   0.15000  1.0 3.0
   48    51    58    63   0.08550  1.0 1.0
   48    51    58    63   1.07500 -1.0 2.0
   48    51    58    63  -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    58   0.00000  1.0 1.0
   51    58    63    64   0.04150 -1.0 2.0
   51    58    63    78   0.04150 -1.0 2.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    63   0.43200  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    63   0.43200  1.0 3.0
   58    63    64    65   3.62500 -1.0 2.0
   58    63    64    66   3.62500 -1.0 2.0
   58    63    78    68   3.62500 -1.0 2.0
   58    63    78    74   3.62500 -1.0 2.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    78   0.00000  1.0 1.0
   60    58    63    64   0.00000  1.0 1.0
   60    58    63    78   0.00000  1.0 1.0
   63    64    66    67   1.40000 -1.0 2.0
   63    64   -66    68   3.62500 -1.0 2.0
   64    63   -78    68   3.50000 -1.0 2.0
   64    63    78    74   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66   -68    78   3.62500 -1.0 2.0
   65    64    66    67   2.00000 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    71   3.62500 -1.0 2.0
   66    68   -78    63   3.00000 -1.0 2.0
   66    68    78    74   3.00000 -1.0 2.0
   67    66    68    69   1.52500 -1.0 2.0
   67    66    68    78   1.52500 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    78    63   3.00000 -1.0 2.0
   69    68    78    74   3.00000 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    76   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    75   3.62500 -1.0 2.0
   71    73    74    78   3.62500 -1.0 2.0
   71    73    76    77   0.84100 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    76   3.62500 -1.0 2.0
   73    74    78    63   3.62500 -1.0 2.0
   73    74   -78    68   3.50000 -1.0 2.0
   74    73    76    77   0.84100 -1.0 2.0
   75    74    78    63   3.62500 -1.0 2.0
   75    74    78    68   3.50000 -1.0 2.0
   78    63    64    65   3.62500 -1.0 2.0
   78    63   -64    66   3.62500 -1.0 2.0
   78    68    69    70   3.62500 -1.0 2.0
   78    68   -69    71   3.62500 -1.0 2.0
   76    73    74    75   3.62500 -1.0 2.0
   76    73    74    78   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    61    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    56    50    46   4.00000 -1.0 2.0
   61    55    54    50   1.10000 -1.0 2.0
   54    62    61    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
   64    78    63    58   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   67    64    66    68   1.00000 -1.0 2.0
   69    78    68    66   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    76    73    71   4.00000 -1.0 2.0
   78    75    74    73   1.10000 -1.0 2.0
   68    74    78    63   4.00000 -1.0 2.0
END
